smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001332272975 1149843021 /nfs/dbraw/zinc/84/30/21/1149843021.db2.gz UIAOGWDMNKECGP-ZFWWWQNUSA-N 2 0 321.490 2.484 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001332413521 1149857929 /nfs/dbraw/zinc/85/79/29/1149857929.db2.gz OOCHJQGGMNXZPX-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001332859793 1149905878 /nfs/dbraw/zinc/90/58/78/1149905878.db2.gz KCKPMFWDYUAQGJ-DLBZAZTESA-N 2 0 321.509 2.395 20 30 DEEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229220 782731418 /nfs/dbraw/zinc/73/14/18/782731418.db2.gz HSDUSSNCDFQPKV-IRXDYDNUSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621366 782816377 /nfs/dbraw/zinc/81/63/77/782816377.db2.gz HWQMNBSPMKADML-JFIYKMOQSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383155 783060810 /nfs/dbraw/zinc/06/08/10/783060810.db2.gz WVUVNMPSDQFJEA-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947494539 783151844 /nfs/dbraw/zinc/15/18/44/783151844.db2.gz ZBRYDXMFEQHOPE-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035701 790409414 /nfs/dbraw/zinc/40/94/14/790409414.db2.gz OYRNRXSRFJGSIS-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001136715775 790441767 /nfs/dbraw/zinc/44/17/67/790441767.db2.gz ZBPQQCPGCJEAII-UHFFFAOYSA-N 2 0 305.422 2.073 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125547 790472316 /nfs/dbraw/zinc/47/23/16/790472316.db2.gz AKMJLLPFGFKBTF-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179668 776751756 /nfs/dbraw/zinc/75/17/56/776751756.db2.gz OIPLXJISLWSVKS-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291724 776948301 /nfs/dbraw/zinc/94/83/01/776948301.db2.gz SFIYKPMKXZVPMU-KBAYOESNSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104346766 777089423 /nfs/dbraw/zinc/08/94/23/777089423.db2.gz IWRNLWIAOYSUTJ-BPLDGKMQSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355084 777112542 /nfs/dbraw/zinc/11/25/42/777112542.db2.gz MVAFZCKGODBDCP-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627206 777406609 /nfs/dbraw/zinc/40/66/09/777406609.db2.gz LZUDKAJRYLEHFQ-CQSZACIVSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460706 790669456 /nfs/dbraw/zinc/66/94/56/790669456.db2.gz KKWQRIYHBFIQSZ-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460677 790669591 /nfs/dbraw/zinc/66/95/91/790669591.db2.gz IGJBIMLJTLADOE-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107114 779705604 /nfs/dbraw/zinc/70/56/04/779705604.db2.gz HMEVEGIRMASBHY-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001088323396 779952085 /nfs/dbraw/zinc/95/20/85/779952085.db2.gz NDIWDDHPTYCXGA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352904 780014446 /nfs/dbraw/zinc/01/44/46/780014446.db2.gz MAQXIEBXQOGYNK-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876226 780041686 /nfs/dbraw/zinc/04/16/86/780041686.db2.gz MSMYUOCIOKNNKB-RCCFBDPRSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518095 780731213 /nfs/dbraw/zinc/73/12/13/780731213.db2.gz QMFHMVUTAVVLGU-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947937041 783273695 /nfs/dbraw/zinc/27/36/95/783273695.db2.gz ZWYSFDOZGJWQEC-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901799 784192980 /nfs/dbraw/zinc/19/29/80/784192980.db2.gz NHFWOEIAPDEUHT-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968855777 784620990 /nfs/dbraw/zinc/62/09/90/784620990.db2.gz AHHZILIVDMBILG-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000968928583 784657454 /nfs/dbraw/zinc/65/74/54/784657454.db2.gz OYHHSSVDPDCXCV-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086428864 784725444 /nfs/dbraw/zinc/72/54/44/784725444.db2.gz NDOVLNMYAODMAH-MQMHXKEQSA-N 2 0 318.808 2.185 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086455989 784748199 /nfs/dbraw/zinc/74/81/99/784748199.db2.gz MNKROHHBLPGNLN-JFIYKMOQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007334945 784890849 /nfs/dbraw/zinc/89/08/49/784890849.db2.gz YDYSNHPBWMOHHJ-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751407 784991949 /nfs/dbraw/zinc/99/19/49/784991949.db2.gz ZHGBGKNCLDFXOX-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738807 785517402 /nfs/dbraw/zinc/51/74/02/785517402.db2.gz ILNZONPURHXDNO-ULQDDVLXSA-N 2 0 319.493 2.406 20 30 DEEDRP 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 785559339 /nfs/dbraw/zinc/55/93/39/785559339.db2.gz IZWDBBOEZPUMIR-KKUMJFAQSA-N 2 0 313.873 2.048 20 30 DEEDRP 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 785888227 /nfs/dbraw/zinc/88/82/27/785888227.db2.gz DRXGLQONLLHDIE-PMPSAXMXSA-N 2 0 307.482 2.404 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001112860950 786262241 /nfs/dbraw/zinc/26/22/41/786262241.db2.gz HGTIOUDVEWUTRJ-GOSISDBHSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966295 786333635 /nfs/dbraw/zinc/33/36/35/786333635.db2.gz WKVOAHNCZLBLQH-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001113010838 786360476 /nfs/dbraw/zinc/36/04/76/786360476.db2.gz OXQCQOQPERXXKR-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113676556 786755849 /nfs/dbraw/zinc/75/58/49/786755849.db2.gz XCCIUQSXZUPIJM-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001113682931 786758821 /nfs/dbraw/zinc/75/88/21/786758821.db2.gz YRHDZWFWSBMBGS-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015060041 786882171 /nfs/dbraw/zinc/88/21/71/786882171.db2.gz RMFQHMGBEQIZTM-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189586 787310009 /nfs/dbraw/zinc/31/00/09/787310009.db2.gz QGKBUDJCKDJZFR-DLBZAZTESA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107537 787933644 /nfs/dbraw/zinc/93/36/44/787933644.db2.gz ZZUIUNQAOFOVHD-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207822 787965238 /nfs/dbraw/zinc/96/52/38/787965238.db2.gz XJTRXHFJYLETTO-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP 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 787982207 /nfs/dbraw/zinc/98/22/07/787982207.db2.gz NZCLPRCPPCKLAD-ILOCAZANSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517356 788107726 /nfs/dbraw/zinc/10/77/26/788107726.db2.gz BGOXFWVKCSUPED-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132925570 788228587 /nfs/dbraw/zinc/22/85/87/788228587.db2.gz YHAOSCHJJJIXAH-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953227 788241088 /nfs/dbraw/zinc/24/10/88/788241088.db2.gz CWEUUFLYEYCPJR-RDJZCZTQSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121760 788288036 /nfs/dbraw/zinc/28/80/36/788288036.db2.gz KZCCXBPCCGAPPL-DLBZAZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133197538 788313949 /nfs/dbraw/zinc/31/39/49/788313949.db2.gz ZLUFUOSWRIUJIH-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133245446 788331214 /nfs/dbraw/zinc/33/12/14/788331214.db2.gz FCQJETUUGFZNJJ-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133245655 788331476 /nfs/dbraw/zinc/33/14/76/788331476.db2.gz IMDRWDVFVXXDQA-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133250224 788334105 /nfs/dbraw/zinc/33/41/05/788334105.db2.gz RKTGJNJQWNDUEX-CABCVRRESA-N 2 0 316.449 2.021 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133337363 788370973 /nfs/dbraw/zinc/37/09/73/788370973.db2.gz MQYXCDVKYKHJCR-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858248 789116209 /nfs/dbraw/zinc/11/62/09/789116209.db2.gz QCTADJUMZPVYPR-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101852 789199653 /nfs/dbraw/zinc/19/96/53/789199653.db2.gz SCQHGQPETPAMFZ-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824068 789513200 /nfs/dbraw/zinc/51/32/00/789513200.db2.gz MKWHXCAVHFWSHV-HOTGVXAUSA-N 2 0 307.482 2.003 20 30 DEEDRP Cc1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c(C[NH+](C)C)c1 ZINC001171260330 791175025 /nfs/dbraw/zinc/17/50/25/791175025.db2.gz GDUXSDIKSQCLPT-UHFFFAOYSA-N 2 0 310.401 2.193 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146702436 791336203 /nfs/dbraw/zinc/33/62/03/791336203.db2.gz WNQKXUMSAGEWRO-HUUCEWRRSA-N 2 0 319.449 2.241 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146700874 791336293 /nfs/dbraw/zinc/33/62/93/791336293.db2.gz ISOPMAKUDPVEKG-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001146706223 791344073 /nfs/dbraw/zinc/34/40/73/791344073.db2.gz BNXNABLZNJIVMJ-IRXDYDNUSA-N 2 0 315.461 2.015 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147725072 791607169 /nfs/dbraw/zinc/60/71/69/791607169.db2.gz RIMJEXCCHQQEBO-MRXNPFEDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091673077 791686383 /nfs/dbraw/zinc/68/63/83/791686383.db2.gz XZOMBXOZSDWJOE-APWZRJJASA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148285464 791729307 /nfs/dbraw/zinc/72/93/07/791729307.db2.gz SNMFTSDAARGLIH-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001148458395 791750234 /nfs/dbraw/zinc/75/02/34/791750234.db2.gz PPLMCRPHAVBFJZ-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477588 791753273 /nfs/dbraw/zinc/75/32/73/791753273.db2.gz YULNXONQERIEJO-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748380 791799893 /nfs/dbraw/zinc/79/98/93/791799893.db2.gz QKXUBBZWLREXCS-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP 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 791813499 /nfs/dbraw/zinc/81/34/99/791813499.db2.gz HOEGNYKMEFUXJD-AOIWGVFYSA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957454 791864440 /nfs/dbraw/zinc/86/44/40/791864440.db2.gz OHCYFOOMOKJHOW-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091780500 791886460 /nfs/dbraw/zinc/88/64/60/791886460.db2.gz MZPKRTFXCIAMFV-NUJGCVRESA-N 2 0 307.482 2.073 20 30 DEEDRP 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 791922679 /nfs/dbraw/zinc/92/26/79/791922679.db2.gz LNBVBLXMBSEOFK-SCTDSRPQSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110907 792100752 /nfs/dbraw/zinc/10/07/52/792100752.db2.gz LTNKYUJRQOIWQI-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093225274 792294266 /nfs/dbraw/zinc/29/42/66/792294266.db2.gz JZNNCJBQGMJNIA-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538207 792711698 /nfs/dbraw/zinc/71/16/98/792711698.db2.gz JLICPOJVQCMASP-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)Cc2c[nH]cn2)C1 ZINC001100710102 792803548 /nfs/dbraw/zinc/80/35/48/792803548.db2.gz BVOGHUHRLCFNPW-UHFFFAOYSA-N 2 0 304.438 2.183 20 30 DEEDRP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980799 792954586 /nfs/dbraw/zinc/95/45/86/792954586.db2.gz GOMPYLWHPSEBLW-CGZBRXJRSA-N 2 0 309.498 2.393 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585472 793012752 /nfs/dbraw/zinc/01/27/52/793012752.db2.gz XLPDVXGUZCHCRJ-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001101550578 793226042 /nfs/dbraw/zinc/22/60/42/793226042.db2.gz PDGOYCCLBFRWKR-QGZVFWFLSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472224 793625700 /nfs/dbraw/zinc/62/57/00/793625700.db2.gz PJLRYNCECXXZJE-KURKYZTESA-N 2 0 321.509 2.060 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520882 793639386 /nfs/dbraw/zinc/63/93/86/793639386.db2.gz GEGQCCZCADHENB-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP Cc1c[nH+]ccc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001174539310 794001146 /nfs/dbraw/zinc/00/11/46/794001146.db2.gz HGNWXDGTVAHCGT-UHFFFAOYSA-N 2 0 307.401 2.179 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443713 794093467 /nfs/dbraw/zinc/09/34/67/794093467.db2.gz IIPNUFRFYKLGES-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755484 794214644 /nfs/dbraw/zinc/21/46/44/794214644.db2.gz IRBBSAUEPBHJKO-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760104 794498549 /nfs/dbraw/zinc/49/85/49/794498549.db2.gz QAXPKXOPVGGYEG-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001111904485 794521385 /nfs/dbraw/zinc/52/13/85/794521385.db2.gz GGFGZIMQVKLBCW-HKUYNNGSSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177267575 794629111 /nfs/dbraw/zinc/62/91/11/794629111.db2.gz SOHJHFIXZRQQEQ-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177401819 794660845 /nfs/dbraw/zinc/66/08/45/794660845.db2.gz CHPBQWVEPMUUOA-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483538 794934998 /nfs/dbraw/zinc/93/49/98/794934998.db2.gz CLTFCSFNNGXJME-ROUUACIJSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001179828067 795190755 /nfs/dbraw/zinc/19/07/55/795190755.db2.gz WSOGETNKGWWIQC-UHFFFAOYSA-N 2 0 315.461 2.261 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440899 795460947 /nfs/dbraw/zinc/46/09/47/795460947.db2.gz UXJMUOQBGQOBES-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120470195 795467238 /nfs/dbraw/zinc/46/72/38/795467238.db2.gz PAYWHMNJAZKNNG-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623284 795713554 /nfs/dbraw/zinc/71/35/54/795713554.db2.gz GFOPKAKTKNHHNV-VQIMIIECSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614984 795722302 /nfs/dbraw/zinc/72/23/02/795722302.db2.gz SXYYUJLYKIKEOH-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122055678 795722536 /nfs/dbraw/zinc/72/25/36/795722536.db2.gz GJMIIVHLFZLTPS-KZIPQDEESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177689 795733354 /nfs/dbraw/zinc/73/33/54/795733354.db2.gz IEYJHAHBTVOECJ-XLWKGDHDSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183092365 795798917 /nfs/dbraw/zinc/79/89/17/795798917.db2.gz YOFZJDZNLOKVAH-QAQDUYKDSA-N 2 0 307.482 2.393 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001183176797 795816222 /nfs/dbraw/zinc/81/62/22/795816222.db2.gz SWMOHFPRVSJDJD-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184654782 796100928 /nfs/dbraw/zinc/10/09/28/796100928.db2.gz WOQBOWFPGJEKMO-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001185199535 796210732 /nfs/dbraw/zinc/21/07/32/796210732.db2.gz NOKDQDLSWWPFIT-OAHLLOKOSA-N 2 0 305.422 2.112 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001187135561 796492659 /nfs/dbraw/zinc/49/26/59/796492659.db2.gz VDWCCDVFWSKKHU-LSDHHAIUSA-N 2 0 316.449 2.306 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963327 796747445 /nfs/dbraw/zinc/74/74/45/796747445.db2.gz OHZNSMNEEMCKKN-IXDOHACOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189660810 796868122 /nfs/dbraw/zinc/86/81/22/796868122.db2.gz XZWQXSDIKIJWDI-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870724 796894965 /nfs/dbraw/zinc/89/49/65/796894965.db2.gz DLAZCXOGTXWTDT-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247920 796966902 /nfs/dbraw/zinc/96/69/02/796966902.db2.gz UNGTXUCHLJZCBN-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247919 796967765 /nfs/dbraw/zinc/96/77/65/796967765.db2.gz UNGTXUCHLJZCBN-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324776 796981138 /nfs/dbraw/zinc/98/11/38/796981138.db2.gz OMFCFVVWCNSOGD-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205526421 797018427 /nfs/dbraw/zinc/01/84/27/797018427.db2.gz UJPZFIIITTZGDV-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190742186 797067403 /nfs/dbraw/zinc/06/74/03/797067403.db2.gz BNAZBMNSBNMIOF-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CCCCCC2)CC1 ZINC001152324385 797171477 /nfs/dbraw/zinc/17/14/77/797171477.db2.gz SZEXBXIJJRUWKM-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387515 797332562 /nfs/dbraw/zinc/33/25/62/797332562.db2.gz FLTCTCNQNVWCRF-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916917 797470617 /nfs/dbraw/zinc/47/06/17/797470617.db2.gz GTSGWJHLASMGHP-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001193389334 797557609 /nfs/dbraw/zinc/55/76/09/797557609.db2.gz BCZBEXKYLPHBSV-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883930 797874178 /nfs/dbraw/zinc/87/41/78/797874178.db2.gz RBSSRZXLWQLWGW-SJORKVTESA-N 2 0 309.498 2.203 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCC(=C)C)CC1 ZINC001157092063 798142220 /nfs/dbraw/zinc/14/22/20/798142220.db2.gz IHJPWBIYUYHFON-QGZVFWFLSA-N 2 0 319.493 2.124 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477223 798192963 /nfs/dbraw/zinc/19/29/63/798192963.db2.gz DJSNEBKZESHKGS-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702428 798262295 /nfs/dbraw/zinc/26/22/95/798262295.db2.gz SQHIXLNGSPZLSR-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364460 798321830 /nfs/dbraw/zinc/32/18/30/798321830.db2.gz VFPHWMDLTLCTBI-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158781411 798468635 /nfs/dbraw/zinc/46/86/35/798468635.db2.gz QEEPUNYCDKARGE-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577800 798652751 /nfs/dbraw/zinc/65/27/51/798652751.db2.gz HHSBIWZDXSVTRP-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200605981 798661302 /nfs/dbraw/zinc/66/13/02/798661302.db2.gz FSVOUXYVCYPKQN-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986027 798774787 /nfs/dbraw/zinc/77/47/87/798774787.db2.gz KYCNZTKIHVLOGP-GOSISDBHSA-N 2 0 319.493 2.433 20 30 DEEDRP COc1cccc(C#N)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667665 798780537 /nfs/dbraw/zinc/78/05/37/798780537.db2.gz YPHDWBXHBYBDLX-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161214251 798811693 /nfs/dbraw/zinc/81/16/93/798811693.db2.gz WBKBBCYCHLODMG-MRXNPFEDSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617834 799131747 /nfs/dbraw/zinc/13/17/47/799131747.db2.gz UXWWJYWEDBAYHJ-CQSZACIVSA-N 2 0 300.406 2.399 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164501071 799610302 /nfs/dbraw/zinc/61/03/02/799610302.db2.gz QEWPGVZSOBSDLD-QGZVFWFLSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641231 800098205 /nfs/dbraw/zinc/09/82/05/800098205.db2.gz PQWSCCSHPBSDEL-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203651173 800099059 /nfs/dbraw/zinc/09/90/59/800099059.db2.gz LWQVCIVBHDTMDB-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203649318 800099343 /nfs/dbraw/zinc/09/93/43/800099343.db2.gz AJRCLHOOMXRZRH-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770392 800120184 /nfs/dbraw/zinc/12/01/84/800120184.db2.gz FPLMAXQLEXSQKI-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203869444 800136201 /nfs/dbraw/zinc/13/62/01/800136201.db2.gz GCIOUMQSAFZMCE-UHFFFAOYSA-N 2 0 313.873 2.196 20 30 DEEDRP C[C@H](Cc1cccnc1)[NH2+]CC#CC[NH2+][C@H](C)Cc1cccnc1 ZINC000934230694 800296708 /nfs/dbraw/zinc/29/67/08/800296708.db2.gz WJNNACLSBYGQAL-QZTJIDSGSA-N 2 0 322.456 2.221 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284186 800336858 /nfs/dbraw/zinc/33/68/58/800336858.db2.gz KAWWESATAZHOFN-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457633 800359011 /nfs/dbraw/zinc/35/90/11/800359011.db2.gz HXBSUELSYUAHGI-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461893 800360023 /nfs/dbraw/zinc/36/00/23/800360023.db2.gz RPEPZAQNWHGYAW-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001206288512 800502479 /nfs/dbraw/zinc/50/24/79/800502479.db2.gz UNEYJKWFINOZBK-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1CC[NH+](C)CC1)CCO2 ZINC001207397365 800743373 /nfs/dbraw/zinc/74/33/73/800743373.db2.gz KDSQNSLESRCOLB-RBUKOAKNSA-N 2 0 322.493 2.402 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208330941 800956618 /nfs/dbraw/zinc/95/66/18/800956618.db2.gz IBCACMNOLGCKGX-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208493214 800995189 /nfs/dbraw/zinc/99/51/89/800995189.db2.gz ZWNVWSOJGONOPN-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)CCc1ccc(C#N)cc1 ZINC001208927646 801094706 /nfs/dbraw/zinc/09/47/06/801094706.db2.gz NMKXEPUUYOZXEZ-UHFFFAOYSA-N 2 0 316.493 2.306 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408424 801184819 /nfs/dbraw/zinc/18/48/19/801184819.db2.gz NTWYXAYXYZJCEK-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209950755 801311965 /nfs/dbraw/zinc/31/19/65/801311965.db2.gz HPRPDGZVVWRGES-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209950268 801312018 /nfs/dbraw/zinc/31/20/18/801312018.db2.gz DMKZEYRUMIWQDB-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230035961 801353406 /nfs/dbraw/zinc/35/34/06/801353406.db2.gz ZCKOVZVCHXHZQE-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262904 801378030 /nfs/dbraw/zinc/37/80/30/801378030.db2.gz XMRCGOKMBXLZSV-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611186 801739193 /nfs/dbraw/zinc/73/91/93/801739193.db2.gz SGTHUQJHTGGYHQ-ZACQAIPSSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634229 801742468 /nfs/dbraw/zinc/74/24/68/801742468.db2.gz GDFKMUHTXWIOSV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C[C@H](C#N)c1ccc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001218871000 802252492 /nfs/dbraw/zinc/25/24/92/802252492.db2.gz FPVWDURARMQAFO-CZUORRHYSA-N 2 0 312.417 2.126 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777155 802612759 /nfs/dbraw/zinc/61/27/59/802612759.db2.gz UUQXWRJNPXUBSX-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221920714 802627107 /nfs/dbraw/zinc/62/71/07/802627107.db2.gz SEAMMBXWESCSQJ-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001223203412 802773326 /nfs/dbraw/zinc/77/33/26/802773326.db2.gz XHXQWVCVADZBCI-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223466380 802792151 /nfs/dbraw/zinc/79/21/51/802792151.db2.gz RKGQGCLSDVGGJS-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223472946 802792810 /nfs/dbraw/zinc/79/28/10/802792810.db2.gz YLSDRBOFHVOHPD-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489275 802795134 /nfs/dbraw/zinc/79/51/34/802795134.db2.gz LPVGJSXOPQAINX-SQNIBIBYSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001224946087 802919321 /nfs/dbraw/zinc/91/93/21/802919321.db2.gz ATLNYGZELMKPKH-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408811 803238440 /nfs/dbraw/zinc/23/84/40/803238440.db2.gz YKLXSDOSDMQKQV-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001330668317 1149245549 /nfs/dbraw/zinc/24/55/49/1149245549.db2.gz UDJLVVOXPFUKPU-QBPKDAKJSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001328097743 1148719090 /nfs/dbraw/zinc/71/90/90/1148719090.db2.gz IMZZICVKAMRRKJ-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001328097739 1148718812 /nfs/dbraw/zinc/71/88/12/1148718812.db2.gz IMZZICVKAMRRKJ-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001499985412 1058416358 /nfs/dbraw/zinc/41/63/58/1058416358.db2.gz RXFYGVMRXMHHTE-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001502134976 1059980615 /nfs/dbraw/zinc/98/06/15/1059980615.db2.gz DRGBKUUVUNBURW-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479307495 1061378732 /nfs/dbraw/zinc/37/87/32/1061378732.db2.gz NFSRDIUDAZBNCG-BBWFWOEESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479306995 1061380620 /nfs/dbraw/zinc/38/06/20/1061380620.db2.gz LBTXXIXYAGCPKE-ZACQAIPSSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479565857 1061507071 /nfs/dbraw/zinc/50/70/71/1061507071.db2.gz VZUVRFXXUVWHTD-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001479600039 1061517127 /nfs/dbraw/zinc/51/71/27/1061517127.db2.gz LGERAUSIAPCDPL-KZNAEPCWSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001479600037 1061517778 /nfs/dbraw/zinc/51/77/78/1061517778.db2.gz LGERAUSIAPCDPL-FGTMMUONSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CCC)CC1 ZINC001479834402 1061866489 /nfs/dbraw/zinc/86/64/89/1061866489.db2.gz OXWVWPDCFQPCBP-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001506522680 1062078365 /nfs/dbraw/zinc/07/83/65/1062078365.db2.gz VXGDFTHKKZMSJJ-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001480049351 1062240754 /nfs/dbraw/zinc/24/07/54/1062240754.db2.gz BQCAZPPOKGHBNC-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001480049352 1062240917 /nfs/dbraw/zinc/24/09/17/1062240917.db2.gz BQCAZPPOKGHBNC-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001506866309 1062448602 /nfs/dbraw/zinc/44/86/02/1062448602.db2.gz ULSQLFHMUJAJLW-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480385271 1062772351 /nfs/dbraw/zinc/77/23/51/1062772351.db2.gz ZMCANHLFJYEELH-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387904 1062777750 /nfs/dbraw/zinc/77/77/50/1062777750.db2.gz UVSVOZNXXWVCNR-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507286037 1063034270 /nfs/dbraw/zinc/03/42/70/1063034270.db2.gz NHOLISLLCAVYAL-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480738529 1063268959 /nfs/dbraw/zinc/26/89/59/1063268959.db2.gz GJOKZNPEJNPFBF-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001508020134 1063499908 /nfs/dbraw/zinc/49/99/08/1063499908.db2.gz FNSZEDUTLBRYER-SJORKVTESA-N 2 0 321.509 2.393 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001508082391 1063544735 /nfs/dbraw/zinc/54/47/35/1063544735.db2.gz GJPJRAQWNVQALM-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001508107016 1063559854 /nfs/dbraw/zinc/55/98/54/1063559854.db2.gz WMBPYTWXOUNROX-JCYILVPMSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001508211818 1063612107 /nfs/dbraw/zinc/61/21/07/1063612107.db2.gz BRGAQVZGWUXEHB-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001493206129 1063634977 /nfs/dbraw/zinc/63/49/77/1063634977.db2.gz DVXBPYMFXZZPDO-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001493979405 1064058707 /nfs/dbraw/zinc/05/87/07/1064058707.db2.gz YHABJTCSQMMQBJ-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)c1ccccc1 ZINC001567660317 1064325947 /nfs/dbraw/zinc/32/59/47/1064325947.db2.gz YDXMLQXWVDOFJH-QZTJIDSGSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)c1ccccc1 ZINC001567660316 1064326088 /nfs/dbraw/zinc/32/60/88/1064326088.db2.gz YDXMLQXWVDOFJH-MSOLQXFVSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567731989 1064383738 /nfs/dbraw/zinc/38/37/38/1064383738.db2.gz TXATWFMFCASCAR-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567738651 1064391541 /nfs/dbraw/zinc/39/15/41/1064391541.db2.gz RFSVFNCHYTTZFC-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494838459 1064499997 /nfs/dbraw/zinc/49/99/97/1064499997.db2.gz DHKCHEDSCZXQFK-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001568043885 1064614624 /nfs/dbraw/zinc/61/46/24/1064614624.db2.gz QEVFAFQCGMPICH-SJLPKXTDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001568121700 1064657978 /nfs/dbraw/zinc/65/79/78/1064657978.db2.gz LBDUWMKUGDVQLO-KRWDZBQOSA-N 2 0 303.450 2.309 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001568121701 1064658776 /nfs/dbraw/zinc/65/87/76/1064658776.db2.gz LBDUWMKUGDVQLO-QGZVFWFLSA-N 2 0 303.450 2.309 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001568128553 1064661378 /nfs/dbraw/zinc/66/13/78/1064661378.db2.gz AWQHKHDPKNUPKH-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001568424572 1064861782 /nfs/dbraw/zinc/86/17/82/1064861782.db2.gz SOJUAPHWOQAWBL-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001495397280 1064879975 /nfs/dbraw/zinc/87/99/75/1064879975.db2.gz RETVFCUWAVTSCN-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001569169409 1065336628 /nfs/dbraw/zinc/33/66/28/1065336628.db2.gz MTPXMNJZDZEVNO-ZWKOTPCHSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001569217875 1065373481 /nfs/dbraw/zinc/37/34/81/1065373481.db2.gz ACZVRFZESHVLIY-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569247393 1065393825 /nfs/dbraw/zinc/39/38/25/1065393825.db2.gz NOUDERPQNGYIPI-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001569450185 1065514728 /nfs/dbraw/zinc/51/47/28/1065514728.db2.gz RTVLXDNEYIOJDS-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC001625030708 1078236842 /nfs/dbraw/zinc/23/68/42/1078236842.db2.gz ZKVUVCOIFLEMCX-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001496782196 1065709746 /nfs/dbraw/zinc/70/97/46/1065709746.db2.gz WVDNXUUMXKCHDE-QGZVFWFLSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001569802691 1065725816 /nfs/dbraw/zinc/72/58/16/1065725816.db2.gz YWSCEQMESOGBIP-AEFFLSMTSA-N 2 0 315.461 2.134 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001569856862 1065771238 /nfs/dbraw/zinc/77/12/38/1065771238.db2.gz YHTUVRLMHZMLRM-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001496906108 1065793590 /nfs/dbraw/zinc/79/35/90/1065793590.db2.gz BJTMKJDIAYZLDF-ROUUACIJSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001570005678 1065876590 /nfs/dbraw/zinc/87/65/90/1065876590.db2.gz MJSAIPSICNNBBW-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570013573 1065881873 /nfs/dbraw/zinc/88/18/73/1065881873.db2.gz NFNJJEUHABUVNE-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001570090968 1065919946 /nfs/dbraw/zinc/91/99/46/1065919946.db2.gz LCNDHNHYKDRLLY-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001570512858 1066100621 /nfs/dbraw/zinc/10/06/21/1066100621.db2.gz HZSRPQRRSGOTPU-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001499458523 1067227903 /nfs/dbraw/zinc/22/79/03/1067227903.db2.gz HGHRLOIAOGUGQC-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001483445529 1078538223 /nfs/dbraw/zinc/53/82/23/1078538223.db2.gz ZHBXULFUEJUOJG-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP CCCCCCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001671188392 1078609954 /nfs/dbraw/zinc/60/99/54/1078609954.db2.gz PSFBFRDFHQFCRO-INIZCTEOSA-N 2 0 309.498 2.441 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001570534150 1067989801 /nfs/dbraw/zinc/98/98/01/1067989801.db2.gz CQXCXDXOLVALCA-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570810631 1068125000 /nfs/dbraw/zinc/12/50/00/1068125000.db2.gz TYSXUNZFFSAROL-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571360070 1068246945 /nfs/dbraw/zinc/24/69/45/1068246945.db2.gz LIPDIEPAJXVZBM-ZWKOTPCHSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001571537393 1068405083 /nfs/dbraw/zinc/40/50/83/1068405083.db2.gz BCOYVOSFGHAHSH-IAGOWNOFSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001571560480 1068419968 /nfs/dbraw/zinc/41/99/68/1068419968.db2.gz ZQCUOAHCKUOIOO-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267460459 1078869983 /nfs/dbraw/zinc/86/99/83/1078869983.db2.gz VUMJCVACXNNPBI-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC1(CC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[NH2+]C1 ZINC001574879739 1069283981 /nfs/dbraw/zinc/28/39/81/1069283981.db2.gz JQRGITYMTUVZDR-MRXNPFEDSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[N@@H+](C)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235857855 1084550268 /nfs/dbraw/zinc/55/02/68/1084550268.db2.gz APKGLMOFVLKYEX-UHFFFAOYSA-N 2 0 324.266 2.477 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001649463423 1079131394 /nfs/dbraw/zinc/13/13/94/1079131394.db2.gz LYWUSJKDSHXFDF-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001483803922 1079133899 /nfs/dbraw/zinc/13/38/99/1079133899.db2.gz CHCGVEJFJYVFDK-NPYXIHBLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001483847928 1079149460 /nfs/dbraw/zinc/14/94/60/1079149460.db2.gz OJUVVNZKYVFKHU-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001483849491 1079150059 /nfs/dbraw/zinc/15/00/59/1079150059.db2.gz WXCQDALDPJKFAQ-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001483944091 1079200996 /nfs/dbraw/zinc/20/09/96/1079200996.db2.gz OIMIJPLTJCNKBB-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC)CC1 ZINC001483989600 1079227855 /nfs/dbraw/zinc/22/78/55/1079227855.db2.gz PODFJZKPDWONQB-CALCHBBNSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001484021839 1079246876 /nfs/dbraw/zinc/24/68/76/1079246876.db2.gz GPTRQQXOROHQFX-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484115156 1079306752 /nfs/dbraw/zinc/30/67/52/1079306752.db2.gz QPYJVBJRHWVVGG-PKOBYXMFSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001484124925 1079314200 /nfs/dbraw/zinc/31/42/00/1079314200.db2.gz KPBDKVHJSAIWSA-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484160430 1079335425 /nfs/dbraw/zinc/33/54/25/1079335425.db2.gz FXIHHYQZQFRFQA-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001565921526 1075077630 /nfs/dbraw/zinc/07/76/30/1075077630.db2.gz HNJFNKZFGCATBC-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001558769248 1075105035 /nfs/dbraw/zinc/10/50/35/1075105035.db2.gz RYLZMJATGSAPIU-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001566714267 1075324826 /nfs/dbraw/zinc/32/48/26/1075324826.db2.gz JIHWYEJNVATDRB-WBVHZDCISA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267701092 1079388404 /nfs/dbraw/zinc/38/84/04/1079388404.db2.gz NIDCFTXCIGIMMY-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001566942549 1075395286 /nfs/dbraw/zinc/39/52/86/1075395286.db2.gz OOVXXFHZEZRTFT-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP 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 1075404108 /nfs/dbraw/zinc/40/41/08/1075404108.db2.gz XBXIFKZBARJHDJ-SJUNHDGSSA-N 2 0 319.493 2.118 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054173 1075423887 /nfs/dbraw/zinc/42/38/87/1075423887.db2.gz LSCWLGBVDUQVJO-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001267845569 1079536481 /nfs/dbraw/zinc/53/64/81/1079536481.db2.gz WQPHLPYWRQBQFI-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339102 1079549610 /nfs/dbraw/zinc/54/96/10/1079549610.db2.gz STMRKCXKDWWDGG-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484343168 1079552289 /nfs/dbraw/zinc/55/22/89/1079552289.db2.gz NAPPFRFIUWOFQP-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001484563605 1079662490 /nfs/dbraw/zinc/66/24/90/1079662490.db2.gz QZSUWWLLVINEEQ-WMLDXEAASA-N 2 0 301.434 2.091 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001481350707 1079744239 /nfs/dbraw/zinc/74/42/39/1079744239.db2.gz POVMJOIUHFWVCI-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001268034570 1079861311 /nfs/dbraw/zinc/86/13/11/1079861311.db2.gz MOGIBLJXMKOUGY-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1cnc(C)c1 ZINC001485062853 1079952994 /nfs/dbraw/zinc/95/29/94/1079952994.db2.gz JNMABWBLRUFKEP-HNNXBMFYSA-N 2 0 304.438 2.035 20 30 DEEDRP C=CCCC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001485097381 1079980077 /nfs/dbraw/zinc/98/00/77/1079980077.db2.gz JMHGQBPWYNEEMP-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001657101722 1080156788 /nfs/dbraw/zinc/15/67/88/1080156788.db2.gz GMESRFBAFVUERZ-HOTGVXAUSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001485454416 1080215342 /nfs/dbraw/zinc/21/53/42/1080215342.db2.gz YIKYBEHIQWGRRU-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268251813 1080231368 /nfs/dbraw/zinc/23/13/68/1080231368.db2.gz PRUOENAILVISIK-QGZVFWFLSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481660670 1080265302 /nfs/dbraw/zinc/26/53/02/1080265302.db2.gz LGALMOKJWOEIHQ-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001660475382 1080336489 /nfs/dbraw/zinc/33/64/89/1080336489.db2.gz MMSLNRRLWQUTES-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001661213407 1080457263 /nfs/dbraw/zinc/45/72/63/1080457263.db2.gz QZWFTENJBWRERX-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001481844356 1080543123 /nfs/dbraw/zinc/54/31/23/1080543123.db2.gz YEAYWNUNEJVSJS-CABCVRRESA-N 2 0 315.889 2.345 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481957881 1080644671 /nfs/dbraw/zinc/64/46/71/1080644671.db2.gz KTGDPRMQBHDUFC-APWZRJJASA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001662796955 1080657691 /nfs/dbraw/zinc/65/76/91/1080657691.db2.gz JNVUGKWCKUIBEI-DLBZAZTESA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481982560 1080665854 /nfs/dbraw/zinc/66/58/54/1080665854.db2.gz MSASTMRAJZIQLJ-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001663014519 1080685914 /nfs/dbraw/zinc/68/59/14/1080685914.db2.gz WXCRUGNRWLKXFV-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001482031333 1080710446 /nfs/dbraw/zinc/71/04/46/1080710446.db2.gz JUWMZQLOPPQISO-UHFFFAOYSA-N 2 0 315.461 2.453 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482068582 1080776141 /nfs/dbraw/zinc/77/61/41/1080776141.db2.gz SPTURVBTFDWKMY-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664726245 1080949396 /nfs/dbraw/zinc/94/93/96/1080949396.db2.gz GUQRUIUJDZVJFV-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001664884665 1080976059 /nfs/dbraw/zinc/97/60/59/1080976059.db2.gz UPFSBEUOXLTQLT-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001666341146 1081146060 /nfs/dbraw/zinc/14/60/60/1081146060.db2.gz MQCSGVZKGKHGAD-UHFFFAOYSA-N 2 0 315.461 2.453 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001666799999 1081182188 /nfs/dbraw/zinc/18/21/88/1081182188.db2.gz BPUDBDWLVFQJEO-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001667211453 1081225108 /nfs/dbraw/zinc/22/51/08/1081225108.db2.gz UKONDBGAQASSGZ-HIFRSBDPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001667692795 1081275083 /nfs/dbraw/zinc/27/50/83/1081275083.db2.gz CPXWEYUBIWSQKO-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111307465 1081290913 /nfs/dbraw/zinc/29/09/13/1081290913.db2.gz KKRGITJYFGGHAJ-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001671916103 1081550394 /nfs/dbraw/zinc/55/03/94/1081550394.db2.gz FABNCHXPROIXDL-GOSISDBHSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCN1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444510 1081713965 /nfs/dbraw/zinc/71/39/65/1081713965.db2.gz UKRPIEYMFGWDNJ-WBVHZDCISA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CN1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444531 1081714706 /nfs/dbraw/zinc/71/47/06/1081714706.db2.gz VJKOHFUMHYCNML-WBVHZDCISA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001270848916 1081743402 /nfs/dbraw/zinc/74/34/02/1081743402.db2.gz XXHUFKFUIVKJPL-SFHVURJKSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001673218278 1081747161 /nfs/dbraw/zinc/74/71/61/1081747161.db2.gz JGMWEIQEMASUTJ-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001673967649 1081818956 /nfs/dbraw/zinc/81/89/56/1081818956.db2.gz ZOZRUJHCCLNPCN-UHFFFAOYSA-N 2 0 305.466 2.162 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001673986438 1081821613 /nfs/dbraw/zinc/82/16/13/1081821613.db2.gz YHNMDPLYRFXYOR-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001674154776 1081849688 /nfs/dbraw/zinc/84/96/88/1081849688.db2.gz MJVVRWWUGZADND-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001674348425 1081862662 /nfs/dbraw/zinc/86/26/62/1081862662.db2.gz TXPACEQSIJOMNZ-SFHVURJKSA-N 2 0 321.509 2.301 20 30 DEEDRP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001674354149 1081863196 /nfs/dbraw/zinc/86/31/96/1081863196.db2.gz XFBPJCQMKZDXSR-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001271318866 1082011724 /nfs/dbraw/zinc/01/17/24/1082011724.db2.gz XXDFCNAQNOWQDW-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001271560815 1082081520 /nfs/dbraw/zinc/08/15/20/1082081520.db2.gz MKFHPFCPPYLUKV-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001670501869 1082156681 /nfs/dbraw/zinc/15/66/81/1082156681.db2.gz ZDDJAGJZBZTEGI-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766641 1082331007 /nfs/dbraw/zinc/33/10/07/1082331007.db2.gz IADUIVYDROQCTG-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266845309 1082387586 /nfs/dbraw/zinc/38/75/86/1082387586.db2.gz WAUQCNUWJZEFAQ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266901890 1082442002 /nfs/dbraw/zinc/44/20/02/1082442002.db2.gz DJBPWUSBPCWRJV-SFFUCWETSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001266911995 1082449374 /nfs/dbraw/zinc/44/93/74/1082449374.db2.gz QPBNFNBLEZYPEJ-OFLPRAFFSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001409444821 1082891721 /nfs/dbraw/zinc/89/17/21/1082891721.db2.gz KCFNRGDZYAASCO-ZDUSSCGKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546640 1083476726 /nfs/dbraw/zinc/47/67/26/1083476726.db2.gz KMWSZUYXQQUHOQ-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001277002204 1083728888 /nfs/dbraw/zinc/72/88/88/1083728888.db2.gz XFDVUKQFQPHUKB-LUKYLMHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001272756092 1083936599 /nfs/dbraw/zinc/93/65/99/1083936599.db2.gz OEDOHPVOBSLVOX-XSLAGTTESA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339057 1083946824 /nfs/dbraw/zinc/94/68/24/1083946824.db2.gz DFKGXCMVYXYZDU-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491174578 1084130538 /nfs/dbraw/zinc/13/05/38/1084130538.db2.gz QHGPAHACFANAJO-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CCN1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001235794219 1084531423 /nfs/dbraw/zinc/53/14/23/1084531423.db2.gz KFYYRTXJAJSJIL-HNNXBMFYSA-N 2 0 324.266 2.171 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)c(F)c1 ZINC001486525279 1085408504 /nfs/dbraw/zinc/40/85/04/1085408504.db2.gz YXEXHQSHSZBCBL-UHFFFAOYSA-N 2 0 319.424 2.059 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000965842646 1085656062 /nfs/dbraw/zinc/65/60/62/1085656062.db2.gz UNJJSFNEYZEOLS-VFIJXHPYSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965933262 1085701514 /nfs/dbraw/zinc/70/15/14/1085701514.db2.gz WFPYFGFOXOCYFA-WLOQGADPSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000963800039 1086560660 /nfs/dbraw/zinc/56/06/60/1086560660.db2.gz CLGGZXAFLZHQDU-OIJFSCQUSA-N 2 0 317.477 2.064 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143541 1086681539 /nfs/dbraw/zinc/68/15/39/1086681539.db2.gz HZBIXAWDTHFCLJ-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957559105 1088406547 /nfs/dbraw/zinc/40/65/47/1088406547.db2.gz BNIVZMAUTUTGEB-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782302 1090075947 /nfs/dbraw/zinc/07/59/47/1090075947.db2.gz OSFVWFYHTCAIGO-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938732 1090530959 /nfs/dbraw/zinc/53/09/59/1090530959.db2.gz COBZTGRLDLQVII-KURKYZTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957744 1090546472 /nfs/dbraw/zinc/54/64/72/1090546472.db2.gz UJJMWSSBANMRRM-KURKYZTESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084977853 1090556731 /nfs/dbraw/zinc/55/67/31/1090556731.db2.gz IOUIGSZKKMJLOS-SQNIBIBYSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001276146730 1091597542 /nfs/dbraw/zinc/59/75/42/1091597542.db2.gz JAWABXBEIYLURJ-ZWKOTPCHSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001275183580 1091604033 /nfs/dbraw/zinc/60/40/33/1091604033.db2.gz GTSJKYCLQDRNPU-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001275183238 1091604161 /nfs/dbraw/zinc/60/41/61/1091604161.db2.gz DIPCVWYHNYUCPM-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2C1CCN(C)CC1 ZINC001273828131 1092230253 /nfs/dbraw/zinc/23/02/53/1092230253.db2.gz ZSPHWWIFCCORGI-GOSISDBHSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001493125940 1092300043 /nfs/dbraw/zinc/30/00/43/1092300043.db2.gz WXIIXZDBLGWZFG-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001488916312 1092815913 /nfs/dbraw/zinc/81/59/13/1092815913.db2.gz QTIOKQPVEKIWNR-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001489238513 1092999856 /nfs/dbraw/zinc/99/98/56/1092999856.db2.gz MONAKNPWRMVXLL-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001490599573 1093438519 /nfs/dbraw/zinc/43/85/19/1093438519.db2.gz RHQVYGRXJOYRCV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001274208008 1093852053 /nfs/dbraw/zinc/85/20/53/1093852053.db2.gz FGTSXBIOOWKURM-DZGCQCFKSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001318439946 1140330791 /nfs/dbraw/zinc/33/07/91/1140330791.db2.gz PVENQTXKEYPQIS-DLBZAZTESA-N 2 0 322.497 2.199 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001318475199 1140341739 /nfs/dbraw/zinc/34/17/39/1140341739.db2.gz YYFNHPZIYVVBQX-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318490831 1140347341 /nfs/dbraw/zinc/34/73/41/1140347341.db2.gz DKKFYMJQDBGYHO-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001318699778 1140389863 /nfs/dbraw/zinc/38/98/63/1140389863.db2.gz YRRDXFMAUUUQRW-KYJSFNMBSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001318930859 1140469655 /nfs/dbraw/zinc/46/96/55/1140469655.db2.gz IJUMVFKZLMPNPM-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)CCc2cncn2C)CC1 ZINC001318930420 1140470803 /nfs/dbraw/zinc/47/08/03/1140470803.db2.gz AIGQJRGUKYOPBE-UHFFFAOYSA-N 2 0 318.465 2.147 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001319954131 1140806329 /nfs/dbraw/zinc/80/63/29/1140806329.db2.gz GZLRTYXSAIRWOV-QGZVFWFLSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[N@@H+](C)CCN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001320089881 1140820047 /nfs/dbraw/zinc/82/00/47/1140820047.db2.gz GTVUWJVEUNLVAC-UHFFFAOYSA-N 2 0 319.449 2.149 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032351 1140850569 /nfs/dbraw/zinc/85/05/69/1140850569.db2.gz SJKCAEFVPRFRLJ-KRWDZBQOSA-N 2 0 311.514 2.125 20 30 DEEDRP Cc1cccc2c1C1(C[C@H]2[NH2+][C@@H]2CCN[C@H](C#N)C2)CC[NH2+]CC1 ZINC001246251486 1140877532 /nfs/dbraw/zinc/87/75/32/1140877532.db2.gz WZRHHVNUDWTDQB-SOLBZPMBSA-N 2 0 324.472 2.295 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CCN1 ZINC001246597295 1140996138 /nfs/dbraw/zinc/99/61/38/1140996138.db2.gz SEFLASARDBOCJC-IRXDYDNUSA-N 2 0 304.482 2.266 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001278461220 1141030335 /nfs/dbraw/zinc/03/03/35/1141030335.db2.gz VJTPDGCGUXHCIR-XYJFISCASA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322347743 1141539001 /nfs/dbraw/zinc/53/90/01/1141539001.db2.gz VJISFAPZBRPXIR-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001324071186 1142000741 /nfs/dbraw/zinc/00/07/41/1142000741.db2.gz FEBWVBJMHOQPPQ-GDBMZVCRSA-N 2 0 324.428 2.249 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001278579578 1142234998 /nfs/dbraw/zinc/23/49/98/1142234998.db2.gz LNQMSHRRXBRHII-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1)C(C)C ZINC001336755953 1142562197 /nfs/dbraw/zinc/56/21/97/1142562197.db2.gz KSYDAVHBBDMPDO-HZPDHXFCSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001252483201 1142730970 /nfs/dbraw/zinc/73/09/70/1142730970.db2.gz RLVWGWOJPQRXNW-MOPGFXCFSA-N 2 0 318.461 2.052 20 30 DEEDRP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552197 1142761701 /nfs/dbraw/zinc/76/17/01/1142761701.db2.gz HSHMSPKMIOHUJF-FHWLQOOXSA-N 2 0 300.446 2.296 20 30 DEEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001252571758 1142767967 /nfs/dbraw/zinc/76/79/67/1142767967.db2.gz JSKJYNARNBDTJQ-OKYOBFRVSA-N 2 0 300.446 2.424 20 30 DEEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001252619344 1142791232 /nfs/dbraw/zinc/79/12/32/1142791232.db2.gz LTTUCWIIJOVZSS-GOSISDBHSA-N 2 0 303.450 2.210 20 30 DEEDRP CC(C)[N@H+](C)Cc1nn([C@@H]2CC[C@@H](C#N)C2)c2c1CC[NH2+]C2 ZINC001254657675 1143300646 /nfs/dbraw/zinc/30/06/46/1143300646.db2.gz FAIRSBMEORORCP-ZIAGYGMSSA-N 2 0 301.438 2.234 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001340242722 1143308099 /nfs/dbraw/zinc/30/80/99/1143308099.db2.gz WYXRFPXQQIINFH-INIZCTEOSA-N 2 0 307.413 2.057 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001342545497 1143822835 /nfs/dbraw/zinc/82/28/35/1143822835.db2.gz VNVQWCXXJZBJHZ-CQSZACIVSA-N 2 0 301.862 2.133 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001279038024 1143950184 /nfs/dbraw/zinc/95/01/84/1143950184.db2.gz DBJXSZQWDUYGTI-QAPCUYQASA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263849434 1144410960 /nfs/dbraw/zinc/41/09/60/1144410960.db2.gz JJVPFJXNVLJXCQ-VVLHAWIVSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001264196790 1144505560 /nfs/dbraw/zinc/50/55/60/1144505560.db2.gz LBLHMRGJMGKLEW-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264677531 1144591529 /nfs/dbraw/zinc/59/15/29/1144591529.db2.gz CHCCIUDGFPIDCG-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC001264992045 1144621630 /nfs/dbraw/zinc/62/16/30/1144621630.db2.gz KJZUNRVYZRJQHR-UHFFFAOYSA-N 2 0 309.479 2.438 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265228621 1144672774 /nfs/dbraw/zinc/67/27/74/1144672774.db2.gz GAWJMHROOVIIML-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265395224 1144701873 /nfs/dbraw/zinc/70/18/73/1144701873.db2.gz RIJCMWOYDDYNCY-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265613551 1144718182 /nfs/dbraw/zinc/71/81/82/1144718182.db2.gz QVKZAKJTIHHJDV-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265621490 1144718855 /nfs/dbraw/zinc/71/88/55/1144718855.db2.gz KZQKLCAVNADJBB-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001265670873 1144725577 /nfs/dbraw/zinc/72/55/77/1144725577.db2.gz WQJLHCQSJKLFLQ-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001265708366 1144732496 /nfs/dbraw/zinc/73/24/96/1144732496.db2.gz NCDGPWQQPZDKRJ-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001265910757 1144755873 /nfs/dbraw/zinc/75/58/73/1144755873.db2.gz NLMSZCNGQVODFU-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116928 1144807101 /nfs/dbraw/zinc/80/71/01/1144807101.db2.gz OXABMKFHFMSOBZ-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001280455594 1144840684 /nfs/dbraw/zinc/84/06/84/1144840684.db2.gz RKEDJOJFKBFUFT-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001281953428 1144923376 /nfs/dbraw/zinc/92/33/76/1144923376.db2.gz VHIMKCYWIZIGJC-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001283702968 1145602995 /nfs/dbraw/zinc/60/29/95/1145602995.db2.gz PIMRHHSFLSJMEV-SJLPKXTDSA-N 2 0 315.461 2.139 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491878084 1146946049 /nfs/dbraw/zinc/94/60/49/1146946049.db2.gz RHOYLPROIPQFTH-HOTGVXAUSA-N 2 0 319.493 2.290 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366424585 1147264565 /nfs/dbraw/zinc/26/45/65/1147264565.db2.gz HBUJSMDOMTXXJF-ZIAGYGMSSA-N 2 0 301.862 2.096 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317327587 1147336371 /nfs/dbraw/zinc/33/63/71/1147336371.db2.gz VSFUVHFZBPMKFK-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317422689 1147373962 /nfs/dbraw/zinc/37/39/62/1147373962.db2.gz IGTFDLADXOODLX-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@H+](CCCSCC#N)CC2)CC1 ZINC001307854541 1147438893 /nfs/dbraw/zinc/43/88/93/1147438893.db2.gz HXCWVOUCGCUMRY-UHFFFAOYSA-N 2 0 324.538 2.125 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001316812476 1147583256 /nfs/dbraw/zinc/58/32/56/1147583256.db2.gz WVRGRFPFWBGEBC-DLBZAZTESA-N 2 0 321.509 2.203 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316881639 1147620644 /nfs/dbraw/zinc/62/06/44/1147620644.db2.gz QNLRNTIAXMNDQV-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317037068 1147651647 /nfs/dbraw/zinc/65/16/47/1147651647.db2.gz LOZYVSMSBKLKDU-OKZBNKHCSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317046040 1147652698 /nfs/dbraw/zinc/65/26/98/1147652698.db2.gz UJTQLWSJYUUYFG-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001367186978 1147661834 /nfs/dbraw/zinc/66/18/34/1147661834.db2.gz LMAFUIJFLMTQNI-HDJSIYSDSA-N 2 0 313.873 2.240 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001317294733 1147686560 /nfs/dbraw/zinc/68/65/60/1147686560.db2.gz PWZWLNCRNKCTDL-IRXDYDNUSA-N 2 0 321.509 2.108 20 30 DEEDRP C=C(C)CC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317461826 1147712120 /nfs/dbraw/zinc/71/21/20/1147712120.db2.gz RPHOUFUMUIELCC-QGZVFWFLSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317526400 1147720167 /nfs/dbraw/zinc/72/01/67/1147720167.db2.gz JERMEHZSEWGJLS-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001317708475 1147746291 /nfs/dbraw/zinc/74/62/91/1147746291.db2.gz CJNXVCHKTXUQLS-IRXDYDNUSA-N 2 0 307.482 2.099 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001324656255 1147826351 /nfs/dbraw/zinc/82/63/51/1147826351.db2.gz LXOIQEDGAJYOKJ-WBVHZDCISA-N 2 0 304.438 2.381 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001325466617 1147919604 /nfs/dbraw/zinc/91/96/04/1147919604.db2.gz MOUHAHOXLNEYAP-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001326275790 1148068441 /nfs/dbraw/zinc/06/84/41/1148068441.db2.gz SMEHDCSQTPZQLC-CQSZACIVSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001326554755 1148141343 /nfs/dbraw/zinc/14/13/43/1148141343.db2.gz FYEHFIQPHNCRRG-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001326565812 1148146962 /nfs/dbraw/zinc/14/69/62/1148146962.db2.gz BICRFHBSKFNYNP-IYARVYRRSA-N 2 0 319.493 2.150 20 30 DEEDRP CC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262322481 529695234 /nfs/dbraw/zinc/69/52/34/529695234.db2.gz RUJMZNRVDURIEA-AWEZNQCLSA-N 2 0 312.527 2.441 20 30 DEEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192747151 529778762 /nfs/dbraw/zinc/77/87/62/529778762.db2.gz GEKHSCNTVADCBW-DOTOQJQBSA-N 2 0 313.449 2.005 20 30 DEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181691940 199339017 /nfs/dbraw/zinc/33/90/17/199339017.db2.gz LJFGRYSBLZXFKN-SJORKVTESA-N 2 0 314.477 2.482 20 30 DEEDRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339089340 530071721 /nfs/dbraw/zinc/07/17/21/530071721.db2.gz RSAIEODOAODKEW-SJORKVTESA-N 2 0 304.482 2.028 20 30 DEEDRP C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195638 357454707 /nfs/dbraw/zinc/45/47/07/357454707.db2.gz OIBXDNPXARNIKG-MRXNPFEDSA-N 2 0 318.490 2.220 20 30 DEEDRP C[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321948 358054615 /nfs/dbraw/zinc/05/46/15/358054615.db2.gz JZTLPHOFXCNMOQ-BEFAXECRSA-N 2 0 312.461 2.253 20 30 DEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950806 540368912 /nfs/dbraw/zinc/36/89/12/540368912.db2.gz JHXUGAQSEAISIK-KRWDZBQOSA-N 2 0 302.418 2.492 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(NCC3([NH3+])CCCC3)CC2)cc1 ZINC000596648014 358732257 /nfs/dbraw/zinc/73/22/57/358732257.db2.gz FWHNZUYEXURCHJ-UHFFFAOYSA-N 2 0 312.461 2.384 20 30 DEEDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000181857010 299297155 /nfs/dbraw/zinc/29/71/55/299297155.db2.gz ZOMBBSZIWHLSCC-HNNXBMFYSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000537406661 284992486 /nfs/dbraw/zinc/99/24/86/284992486.db2.gz GAKSEZXXIQLDLJ-HNNXBMFYSA-N 2 0 318.440 2.376 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000289681217 221149646 /nfs/dbraw/zinc/14/96/46/221149646.db2.gz DZPWVRVBVNRGJZ-UHFFFAOYSA-N 2 0 320.456 2.403 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(C#N)ccc1F ZINC000374427058 148246171 /nfs/dbraw/zinc/24/61/71/148246171.db2.gz HAHCVRUQYTWUAA-BPQIPLTHSA-N 2 0 317.408 2.381 20 30 DEEDRP CNC(NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)=[NH+]C ZINC000122479617 402080478 /nfs/dbraw/zinc/08/04/78/402080478.db2.gz NDBMSLUVDBAUTE-GASCZTMLSA-N 2 0 302.466 2.459 20 30 DEEDRP CC(C)c1cccc(NC(=[NH2+])NCCN2CCC[N@H+](C)CC2)c1 ZINC000104175092 402199739 /nfs/dbraw/zinc/19/97/39/402199739.db2.gz MKWMYCZZUHHBIP-UHFFFAOYSA-N 2 0 317.481 2.174 20 30 DEEDRP CN(C(=[NH2+])NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000187056388 402480299 /nfs/dbraw/zinc/48/02/99/402480299.db2.gz HRMCISZWKIDMPO-KRWDZBQOSA-N 2 0 300.450 2.306 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000171592868 402598363 /nfs/dbraw/zinc/59/83/63/402598363.db2.gz SGCWHVJVQFRJRX-UHFFFAOYSA-N 2 0 322.497 2.202 20 30 DEEDRP Cn1cc(C[NH2+]CCCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000272165185 402904835 /nfs/dbraw/zinc/90/48/35/402904835.db2.gz ONUUBWLJTPXBSG-UHFFFAOYSA-N 2 0 311.433 2.390 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292408166 403359579 /nfs/dbraw/zinc/35/95/79/403359579.db2.gz YECOBWLVOIAYGC-DJIMGWMZSA-N 2 0 318.440 2.460 20 30 DEEDRP C=CCOCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000347969151 403983197 /nfs/dbraw/zinc/98/31/97/403983197.db2.gz UAPLQBFJRXDJBT-HDICACEKSA-N 2 0 309.498 2.070 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358798292 404776096 /nfs/dbraw/zinc/77/60/96/404776096.db2.gz ZTKGTUUCCSFHFD-INIZCTEOSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000417059221 405022508 /nfs/dbraw/zinc/02/25/08/405022508.db2.gz HUQMNUHRBVFKOU-BRWVUGGUSA-N 2 0 322.497 2.112 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C(C)C ZINC000417059222 405022586 /nfs/dbraw/zinc/02/25/86/405022586.db2.gz HUQMNUHRBVFKOU-GVDBMIGSSA-N 2 0 322.497 2.112 20 30 DEEDRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424058599 404988801 /nfs/dbraw/zinc/98/88/01/404988801.db2.gz LREXOQJHIRMVPY-IAGOWNOFSA-N 2 0 316.449 2.207 20 30 DEEDRP COc1ccccc1[C@H](CNc1cc(C)ncc1C#N)[NH+](C)C ZINC000425197643 405257052 /nfs/dbraw/zinc/25/70/52/405257052.db2.gz CKWFXKFLDKDOIY-KRWDZBQOSA-N 2 0 310.401 2.407 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000491818804 406735653 /nfs/dbraw/zinc/73/56/53/406735653.db2.gz MAIRZWOXSACCPO-UHFFFAOYSA-N 2 0 313.445 2.340 20 30 DEEDRP C[C@@H](CCC[NH3+])[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423062515 230335466 /nfs/dbraw/zinc/33/54/66/230335466.db2.gz UHXSBIIKVXILPY-JEYLPNPQSA-N 2 0 302.422 2.360 20 30 DEEDRP C=CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661379747 425395507 /nfs/dbraw/zinc/39/55/07/425395507.db2.gz ICQOQYCJTASOGH-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC[NH2+]1 ZINC000662804384 425739306 /nfs/dbraw/zinc/73/93/06/425739306.db2.gz FEYCJBXPETXFTH-VDZJLULYSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[C@]1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694698 425714824 /nfs/dbraw/zinc/71/48/24/425714824.db2.gz BGYOJQGKEYPIAY-MAUKXSAKSA-N 2 0 307.482 2.311 20 30 DEEDRP C[NH+]=C(NCCOC1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262499902 276842130 /nfs/dbraw/zinc/84/21/30/276842130.db2.gz XYJSIDNBXNHOLO-MRXNPFEDSA-N 2 0 322.497 2.081 20 30 DEEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423461818 276883600 /nfs/dbraw/zinc/88/36/00/276883600.db2.gz TVVHOZCHMXJBGW-LESCRADOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000358303083 277775800 /nfs/dbraw/zinc/77/58/00/277775800.db2.gz VEVCWTSDKRRECV-HNNXBMFYSA-N 2 0 310.486 2.056 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)C(C)C ZINC000370846157 277851933 /nfs/dbraw/zinc/85/19/33/277851933.db2.gz KMRIDLZAQMJDGR-AEFFLSMTSA-N 2 0 307.482 2.191 20 30 DEEDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000362032554 278384842 /nfs/dbraw/zinc/38/48/42/278384842.db2.gz NLRZCSUMCAGKGX-QAPCUYQASA-N 2 0 312.461 2.377 20 30 DEEDRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424140001 279137805 /nfs/dbraw/zinc/13/78/05/279137805.db2.gz VYDLPEKFJITFGB-KRWDZBQOSA-N 2 0 316.449 2.166 20 30 DEEDRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429684903 288153370 /nfs/dbraw/zinc/15/33/70/288153370.db2.gz NSELJFHWVRXRJG-CIRFHOKZSA-N 2 0 305.466 2.500 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)c(F)c1 ZINC000583078910 337236568 /nfs/dbraw/zinc/23/65/68/337236568.db2.gz ZGRZJDIYZVDLOS-HOTGVXAUSA-N 2 0 316.424 2.398 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089060982 782142454 /nfs/dbraw/zinc/14/24/54/782142454.db2.gz QWMTUIZFMQOPSB-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330231310 1149075086 /nfs/dbraw/zinc/07/50/86/1149075086.db2.gz YDLDVRFWVVSJQM-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001330296235 1149087952 /nfs/dbraw/zinc/08/79/52/1149087952.db2.gz KSIHNTPTNFZLMI-FJIDUMEYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001378927384 1152492807 /nfs/dbraw/zinc/49/28/07/1152492807.db2.gz QGACTYKBTZJQHC-DZGCQCFKSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001378927418 1152493823 /nfs/dbraw/zinc/49/38/23/1152493823.db2.gz QGACTYKBTZJQHC-ZFWWWQNUSA-N 2 0 315.889 2.296 20 30 DEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N1CC[C@H](COC)C1 ZINC000262501073 526350597 /nfs/dbraw/zinc/35/05/97/526350597.db2.gz YJVSMKLUTDVCSC-INIZCTEOSA-N 2 0 324.513 2.185 20 30 DEEDRP C=CCNC(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)=[NH+]C ZINC000262420258 526386946 /nfs/dbraw/zinc/38/69/46/526386946.db2.gz QVJULMZOROZZNE-DZGCQCFKSA-N 2 0 306.479 2.482 20 30 DEEDRP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262438981 526394381 /nfs/dbraw/zinc/39/43/81/526394381.db2.gz UHOKVKLFEXUMMQ-KZNAEPCWSA-N 2 0 316.493 2.477 20 30 DEEDRP C=CC[C@@H](CC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000341425633 527039033 /nfs/dbraw/zinc/03/90/33/527039033.db2.gz BAQKNQDGSAMHIQ-IAGOWNOFSA-N 2 0 324.513 2.399 20 30 DEEDRP CC1CC[NH+]([C@H](CNC2=[NH+]CCN2C)c2ccccc2)CC1 ZINC000262672116 528261078 /nfs/dbraw/zinc/26/10/78/528261078.db2.gz RNVIKQAOVJRILA-QGZVFWFLSA-N 2 0 300.450 2.351 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCS[C@H](CC)C1 ZINC000261805494 528810942 /nfs/dbraw/zinc/81/09/42/528810942.db2.gz HGKLZOIQXXDWMF-LSDHHAIUSA-N 2 0 312.527 2.121 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000263123953 529073961 /nfs/dbraw/zinc/07/39/61/529073961.db2.gz MIAUENJAJRMVRT-UONOGXRCSA-N 2 0 318.490 2.265 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000193301812 529100640 /nfs/dbraw/zinc/10/06/40/529100640.db2.gz UDTUKYVISGJCPE-HRCADAONSA-N 2 0 304.413 2.070 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000263123946 529100823 /nfs/dbraw/zinc/10/08/23/529100823.db2.gz MIAUENJAJRMVRT-KBPBESRZSA-N 2 0 318.490 2.265 20 30 DEEDRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C#N)cc1 ZINC000447529479 529158874 /nfs/dbraw/zinc/15/88/74/529158874.db2.gz LMHBEBMOIVQXGK-GOSISDBHSA-N 2 0 301.434 2.303 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000264095031 529176426 /nfs/dbraw/zinc/17/64/26/529176426.db2.gz LVEQVJUXOFPKRH-HUUCEWRRSA-N 2 0 318.465 2.475 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001382518588 1153460941 /nfs/dbraw/zinc/46/09/41/1153460941.db2.gz FLRLFSXLKSLCDZ-UONOGXRCSA-N 2 0 317.905 2.446 20 30 DEEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023553242 625323435 /nfs/dbraw/zinc/32/34/35/625323435.db2.gz YCYBFYMFJRMHSO-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450049 625445027 /nfs/dbraw/zinc/44/50/27/625445027.db2.gz CKRUARAWZXWEQJ-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450047 625445033 /nfs/dbraw/zinc/44/50/33/625445033.db2.gz CKRUARAWZXWEQJ-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972699910 625465485 /nfs/dbraw/zinc/46/54/85/625465485.db2.gz BMMIQLNVCCSGOM-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475144 625466956 /nfs/dbraw/zinc/46/69/56/625466956.db2.gz RRQJUCWUCYICBO-DOTOQJQBSA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970918394 623790659 /nfs/dbraw/zinc/79/06/59/623790659.db2.gz UOADLKZYWXJMDS-OAHLLOKOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021603695 623818761 /nfs/dbraw/zinc/81/87/61/623818761.db2.gz QXIGDQQWPQGINW-NVXWUHKLSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542154 624184975 /nfs/dbraw/zinc/18/49/75/624184975.db2.gz ZLOHOIQNEQZWBY-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005497 624765660 /nfs/dbraw/zinc/76/56/60/624765660.db2.gz MLXNQHVSNKYAKN-KRWDZBQOSA-N 2 0 315.461 2.123 20 30 DEEDRP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000104181342 624783486 /nfs/dbraw/zinc/78/34/86/624783486.db2.gz CXKZOQBJTCCMRZ-INIZCTEOSA-N 2 0 302.466 2.254 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506452 624926965 /nfs/dbraw/zinc/92/69/65/624926965.db2.gz QFUDRPGRWNPUKV-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022806874 624937453 /nfs/dbraw/zinc/93/74/53/624937453.db2.gz COWGILAESLZFBS-ZNMIVQPWSA-N 2 0 313.873 2.239 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007746870 625061403 /nfs/dbraw/zinc/06/14/03/625061403.db2.gz OQMPPULBQOLVTH-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023380848 625245890 /nfs/dbraw/zinc/24/58/90/625245890.db2.gz ILLWHKSJYOLGOP-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442644 625778649 /nfs/dbraw/zinc/77/86/49/625778649.db2.gz UHAWCXXAHGVDFD-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521151 625842046 /nfs/dbraw/zinc/84/20/46/625842046.db2.gz PJAMGFKPORXIKM-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001000202044 634788712 /nfs/dbraw/zinc/78/87/12/634788712.db2.gz SSMXNQFRNVUYFR-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000996651249 633329611 /nfs/dbraw/zinc/32/96/11/633329611.db2.gz AERMQFHQGRTUKI-HNNXBMFYSA-N 2 0 313.873 2.194 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997613765 633900740 /nfs/dbraw/zinc/90/07/40/633900740.db2.gz MQDVKBLJFXHZKJ-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977456803 633994938 /nfs/dbraw/zinc/99/49/38/633994938.db2.gz VOJXJXZCRFWJQL-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575652 634181681 /nfs/dbraw/zinc/18/16/81/634181681.db2.gz BTNJMJLYSFFNRD-HUUCEWRRSA-N 2 0 313.873 2.146 20 30 DEEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104178862 634262348 /nfs/dbraw/zinc/26/23/48/634262348.db2.gz PGJYBUSEDHSFPI-HUUCEWRRSA-N 2 0 312.502 2.074 20 30 DEEDRP CSc1ccc(C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)cc1C#N ZINC000925771979 634957768 /nfs/dbraw/zinc/95/77/68/634957768.db2.gz FTYMOALMJWHBKD-OOIBXKBGSA-N 2 0 317.458 2.122 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925536 634981776 /nfs/dbraw/zinc/98/17/76/634981776.db2.gz UBDKTIULJJVTDB-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925537 634981800 /nfs/dbraw/zinc/98/18/00/634981800.db2.gz UBDKTIULJJVTDB-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980475430 635015306 /nfs/dbraw/zinc/01/53/06/635015306.db2.gz FYSQOKKGJOLHLM-CABCVRRESA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027963711 635097346 /nfs/dbraw/zinc/09/73/46/635097346.db2.gz CZFHCXSZCOCWMM-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001000368060 635156628 /nfs/dbraw/zinc/15/66/28/635156628.db2.gz DJPOJFKQCVEYLC-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001000742867 635293869 /nfs/dbraw/zinc/29/38/69/635293869.db2.gz OXMYXQHBUNXASP-UHFFFAOYSA-N 2 0 319.474 2.358 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000981091784 635304479 /nfs/dbraw/zinc/30/44/79/635304479.db2.gz QSKOFJBDIJSVPS-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045699 635362981 /nfs/dbraw/zinc/36/29/81/635362981.db2.gz OMGQCSFVOJHNHN-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981364361 635454149 /nfs/dbraw/zinc/45/41/49/635454149.db2.gz NFVATDKQTLVSLJ-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001001634902 635536709 /nfs/dbraw/zinc/53/67/09/635536709.db2.gz DZDWCFYJILKICY-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981871559 635702425 /nfs/dbraw/zinc/70/24/25/635702425.db2.gz AEHJAENGYKIKPN-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181322 635782893 /nfs/dbraw/zinc/78/28/93/635782893.db2.gz RDCJWTKIEFQEBZ-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000982163854 635890429 /nfs/dbraw/zinc/89/04/29/635890429.db2.gz ZQRQLMRBMRVTRT-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)CC[C@@H]2C1 ZINC000946570792 635950141 /nfs/dbraw/zinc/95/01/41/635950141.db2.gz HLUKTQORKFCTMZ-IYBDPMFKSA-N 2 0 316.449 2.089 20 30 DEEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982558051 636265703 /nfs/dbraw/zinc/26/57/03/636265703.db2.gz YDBGVMUJKZZHTD-YTQUADARSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001004375753 636403295 /nfs/dbraw/zinc/40/32/95/636403295.db2.gz SKGWIZZQONCFIF-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP 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 636450691 /nfs/dbraw/zinc/45/06/91/636450691.db2.gz AQUWEXONUYXNSQ-YTQUADARSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946623743 636476567 /nfs/dbraw/zinc/47/65/67/636476567.db2.gz PGFNGIZQWXJEEI-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946624014 636477281 /nfs/dbraw/zinc/47/72/81/636477281.db2.gz YNZHWAPBRQQMQT-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004546084 636483920 /nfs/dbraw/zinc/48/39/20/636483920.db2.gz GGMQXBLNJLEUIO-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP 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 636499903 /nfs/dbraw/zinc/49/99/03/636499903.db2.gz XPDQYLQKRAJMAD-KSZLIROESA-N 2 0 321.509 2.319 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005639949 636803803 /nfs/dbraw/zinc/80/38/03/636803803.db2.gz SCZGVJDDEBBPOU-UHFFFAOYSA-N 2 0 312.417 2.365 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921102 636854400 /nfs/dbraw/zinc/85/44/00/636854400.db2.gz MFONFTATICZKBH-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948717411 636907726 /nfs/dbraw/zinc/90/77/26/636907726.db2.gz SPEWAJYQMJHODQ-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871926 636918005 /nfs/dbraw/zinc/91/80/05/636918005.db2.gz RPUDEWUVEXPEGU-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001006085923 637179302 /nfs/dbraw/zinc/17/93/02/637179302.db2.gz HFYQIXIZQCCQJI-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006283186 637321960 /nfs/dbraw/zinc/32/19/60/637321960.db2.gz JSDOYWVYOAMCKW-WBVHZDCISA-N 2 0 307.482 2.216 20 30 DEEDRP C#Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000896622643 638611228 /nfs/dbraw/zinc/61/12/28/638611228.db2.gz HCIHDUFRSRRXFK-UHFFFAOYSA-N 2 0 315.461 2.014 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000985695474 639588190 /nfs/dbraw/zinc/58/81/90/639588190.db2.gz WBAABVYRKLATBD-IRXDYDNUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000764541751 640652390 /nfs/dbraw/zinc/65/23/90/640652390.db2.gz WTYDDJDTFFESII-UHFFFAOYSA-N 2 0 314.433 2.259 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483829 641122060 /nfs/dbraw/zinc/12/20/60/641122060.db2.gz YDAQYEVEEKNDKI-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989735402 641210723 /nfs/dbraw/zinc/21/07/23/641210723.db2.gz ZVLPZBIBMHOVMJ-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989738530 641216544 /nfs/dbraw/zinc/21/65/44/641216544.db2.gz DUYQKYBQGDVGFP-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990764186 641961807 /nfs/dbraw/zinc/96/18/07/641961807.db2.gz PNIFWPHIXQFNLR-ZMMAXQRCSA-N 2 0 319.493 2.406 20 30 DEEDRP C[C@@H]1CNC(NN=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)=[NH+]1 ZINC000779787492 642537170 /nfs/dbraw/zinc/53/71/70/642537170.db2.gz UWGKXOKQRQYHED-XYPHTWIQSA-N 2 0 311.433 2.107 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000901337187 642628032 /nfs/dbraw/zinc/62/80/32/642628032.db2.gz MRVSXMILTNGDIM-MRXNPFEDSA-N 2 0 303.450 2.131 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC000843803202 651032011 /nfs/dbraw/zinc/03/20/11/651032011.db2.gz JHXSYVWGJSRKSE-OAHLLOKOSA-N 2 0 316.449 2.001 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992141095 646870541 /nfs/dbraw/zinc/87/05/41/646870541.db2.gz GNSVATOETWUAEL-FUHWJXTLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992189936 646895090 /nfs/dbraw/zinc/89/50/90/646895090.db2.gz OEZQBMALTHVRFI-JFIYKMOQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993481728 647683525 /nfs/dbraw/zinc/68/35/25/647683525.db2.gz SGOOCACYGKVEQE-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480597 647684011 /nfs/dbraw/zinc/68/40/11/647684011.db2.gz QGLRGGBQAJTCQH-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079031 649000332 /nfs/dbraw/zinc/00/03/32/649000332.db2.gz KWXDSFWQIXUWCD-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941162930 649011438 /nfs/dbraw/zinc/01/14/38/649011438.db2.gz CEBVAZOHGODEAK-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC000942053852 649145062 /nfs/dbraw/zinc/14/50/62/649145062.db2.gz UYRUQAIAERJBPZ-PBHICJAKSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581590 649253584 /nfs/dbraw/zinc/25/35/84/649253584.db2.gz JJBTXDIMMVSYGV-ZBFHGGJFSA-N 2 0 319.449 2.358 20 30 DEEDRP C#CCOCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000852022385 652316969 /nfs/dbraw/zinc/31/69/69/652316969.db2.gz LDPSDXFFJJZHQK-INIZCTEOSA-N 2 0 306.475 2.460 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304739174 685259150 /nfs/dbraw/zinc/25/91/50/685259150.db2.gz BCPQTWVBWZPXMB-KRWDZBQOSA-N 3 0 323.529 2.031 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187474 693875224 /nfs/dbraw/zinc/87/52/24/693875224.db2.gz SDXSVZVWGHZLTP-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054197939 693879478 /nfs/dbraw/zinc/87/94/78/693879478.db2.gz LZXYETNYJREAPQ-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054245494 693899024 /nfs/dbraw/zinc/89/90/24/693899024.db2.gz UFFCCLLPDIAFFI-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C[NH+](C)C[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1C[NH+](C)C ZINC000866012963 687408469 /nfs/dbraw/zinc/40/84/69/687408469.db2.gz XRVDMBNXBCTTRC-ZIAGYGMSSA-N 2 0 322.403 2.012 20 30 DEEDRP C[NH+](C)C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000866012943 687409061 /nfs/dbraw/zinc/40/90/61/687409061.db2.gz WXOLDUTXAWFTMX-HUUCEWRRSA-N 2 0 320.868 2.387 20 30 DEEDRP CC[NH2+]CC1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866662090 687643732 /nfs/dbraw/zinc/64/37/32/687643732.db2.gz WWPRXXJUAOJSQT-KRWDZBQOSA-N 2 0 315.417 2.094 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016738484 687693870 /nfs/dbraw/zinc/69/38/70/687693870.db2.gz SOEUXEJPBURZQT-INIZCTEOSA-N 2 0 310.401 2.105 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016790876 687703403 /nfs/dbraw/zinc/70/34/03/687703403.db2.gz QOTFFFXPGKWCBP-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001019633878 688383986 /nfs/dbraw/zinc/38/39/86/688383986.db2.gz AQPLWGBWXKPHEM-PKOBYXMFSA-N 2 0 315.461 2.230 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845559 688544904 /nfs/dbraw/zinc/54/49/04/688544904.db2.gz MLWJBYZXWGQRSP-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031918194 689020278 /nfs/dbraw/zinc/02/02/78/689020278.db2.gz AGTMHYDWUDUEHU-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921908 689021602 /nfs/dbraw/zinc/02/16/02/689021602.db2.gz MQXPHDLGKXHTHR-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032206443 689082805 /nfs/dbraw/zinc/08/28/05/689082805.db2.gz AGCJUGUFGNXZMW-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032540333 689179721 /nfs/dbraw/zinc/17/97/21/689179721.db2.gz ZXRXNNAHBXMWNU-BZSNNMDCSA-N 2 0 317.477 2.112 20 30 DEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873291185 689203822 /nfs/dbraw/zinc/20/38/22/689203822.db2.gz DQVHFKCMKGMCLL-WMZOPIPTSA-N 2 0 311.429 2.294 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143816 689402623 /nfs/dbraw/zinc/40/26/23/689402623.db2.gz MJXALEGFYZKLRV-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467945 689511206 /nfs/dbraw/zinc/51/12/06/689511206.db2.gz UVEGRNCBZAIJMZ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033835371 689632239 /nfs/dbraw/zinc/63/22/39/689632239.db2.gz OSNUPHYZWFEGGQ-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034370955 689826156 /nfs/dbraw/zinc/82/61/56/689826156.db2.gz PDZIHVOPOGIJMK-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386877 689829811 /nfs/dbraw/zinc/82/98/11/689829811.db2.gz UXBJCWXUCJZSLL-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000876718178 689914059 /nfs/dbraw/zinc/91/40/59/689914059.db2.gz MSNCKQDNQBYTCA-CQSZACIVSA-N 2 0 311.813 2.035 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000876732415 689920009 /nfs/dbraw/zinc/92/00/09/689920009.db2.gz VMLMAZVRPVQHJS-GJZGRUSLSA-N 2 0 309.841 2.184 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876776060 689934571 /nfs/dbraw/zinc/93/45/71/689934571.db2.gz DRYBXPBHDGMTQK-BPUTZDHNSA-N 2 0 321.852 2.236 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001034764584 689942914 /nfs/dbraw/zinc/94/29/14/689942914.db2.gz ZUTOKYCXWAQMJW-QAQDUYKDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001034778804 689946080 /nfs/dbraw/zinc/94/60/80/689946080.db2.gz ZYZYOOMMRDHNHD-SHTZXODSSA-N 2 0 316.449 2.354 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000876877077 689961705 /nfs/dbraw/zinc/96/17/05/689961705.db2.gz NCBCHXWXJCCBPF-AJNGGQMLSA-N 2 0 313.873 2.320 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000876884443 689963888 /nfs/dbraw/zinc/96/38/88/689963888.db2.gz JCFVSHBYQWCPDP-CYBMUJFWSA-N 2 0 315.870 2.108 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877447648 690115996 /nfs/dbraw/zinc/11/59/96/690115996.db2.gz ZNUCMXBXMWIHBP-PVAVHDDUSA-N 2 0 320.481 2.154 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035721637 690161050 /nfs/dbraw/zinc/16/10/50/690161050.db2.gz XOFMWVVPOKLFQZ-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035786637 690175932 /nfs/dbraw/zinc/17/59/32/690175932.db2.gz BHBLUESXCMJCDN-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035858262 690194643 /nfs/dbraw/zinc/19/46/43/690194643.db2.gz RGXTYAXIYPCLDS-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001036055655 690248155 /nfs/dbraw/zinc/24/81/55/690248155.db2.gz QQZCDBMFKSOWTC-GXTWGEPZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036852675 690499068 /nfs/dbraw/zinc/49/90/68/690499068.db2.gz HVOJRAWQTBZDNG-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904368 690522492 /nfs/dbraw/zinc/52/24/92/690522492.db2.gz QXBBLXQHBNTIFL-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038440879 690824019 /nfs/dbraw/zinc/82/40/19/690824019.db2.gz CCVULFNUVYFKBB-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038443124 690825142 /nfs/dbraw/zinc/82/51/42/690825142.db2.gz GEILTDUDIMYRIB-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224225 691060124 /nfs/dbraw/zinc/06/01/24/691060124.db2.gz DPODJPWFCBHANA-IRXDYDNUSA-N 2 0 316.449 2.162 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039397907 691097655 /nfs/dbraw/zinc/09/76/55/691097655.db2.gz GJYUWKUIOYCDET-SQNIBIBYSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492403 691255610 /nfs/dbraw/zinc/25/56/10/691255610.db2.gz AGOKTNLFFDEOHE-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041275612 691354259 /nfs/dbraw/zinc/35/42/59/691354259.db2.gz GBJQCGNZBIJDBT-MJGOQNOKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041345519 691364921 /nfs/dbraw/zinc/36/49/21/691364921.db2.gz AYKNKIXIMMSMFS-IEBWSBKVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000883172302 691447649 /nfs/dbraw/zinc/44/76/49/691447649.db2.gz CWQOWXTXRYISFF-MSOLQXFVSA-N 2 0 309.498 2.117 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132270 691516207 /nfs/dbraw/zinc/51/62/07/691516207.db2.gz APOPJTAOKHFUBS-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156061 691524289 /nfs/dbraw/zinc/52/42/89/691524289.db2.gz GKBGHXLZFHINNG-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001044656294 691866702 /nfs/dbraw/zinc/86/67/02/691866702.db2.gz GWQZDGMSFCXHFS-UKRRQHHQSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045458781 691984263 /nfs/dbraw/zinc/98/42/63/691984263.db2.gz ODQMRAFATQEDLV-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921420 692052017 /nfs/dbraw/zinc/05/20/17/692052017.db2.gz LEKRBPCOIFEONM-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045948152 692060655 /nfs/dbraw/zinc/06/06/55/692060655.db2.gz WNXIEECKCFQVDA-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045963613 692063541 /nfs/dbraw/zinc/06/35/41/692063541.db2.gz LTMPZCGGGNRMOA-MJGOQNOKSA-N 2 0 321.509 2.463 20 30 DEEDRP 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 692712026 /nfs/dbraw/zinc/71/20/26/692712026.db2.gz YSCXJPUKJOFPSO-KSZLIROESA-N 2 0 319.493 2.216 20 30 DEEDRP 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 692779498 /nfs/dbraw/zinc/77/94/98/692779498.db2.gz BLSGBLNJPSUBLM-BDXSIMOUSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049717296 692973735 /nfs/dbraw/zinc/97/37/35/692973735.db2.gz HYBYTWRSQRSYPS-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049805366 693006327 /nfs/dbraw/zinc/00/63/27/693006327.db2.gz JNUSHDWLULJUBH-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001050068877 693099771 /nfs/dbraw/zinc/09/97/71/693099771.db2.gz MYUZDSFXLHRQJF-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001050630089 693218970 /nfs/dbraw/zinc/21/89/70/693218970.db2.gz JZYDXJDQVDJPSS-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050717393 693237291 /nfs/dbraw/zinc/23/72/91/693237291.db2.gz DDWHQLMMCUHGIT-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP CC(C)([NH3+])CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000925742295 693333934 /nfs/dbraw/zinc/33/39/34/693333934.db2.gz SDUGTIBGVHBXMH-UHFFFAOYSA-N 2 0 300.450 2.240 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052367843 693516278 /nfs/dbraw/zinc/51/62/78/693516278.db2.gz BYVSQJGYHCQKIO-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052391613 693522274 /nfs/dbraw/zinc/52/22/74/693522274.db2.gz QQFOHBXIIKCTFZ-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052419599 693529938 /nfs/dbraw/zinc/52/99/38/693529938.db2.gz QIJBSSMSJCTQBF-OAHLLOKOSA-N 2 0 319.474 2.027 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052516806 693554733 /nfs/dbraw/zinc/55/47/33/693554733.db2.gz RPZWLBRUDLPTJC-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC(C)(C)[NH+]1CCC([NH2+]CCNc2ccc(C#N)cn2)CC1 ZINC000927164857 693563817 /nfs/dbraw/zinc/56/38/17/693563817.db2.gz NVJKLDCHBZQGMG-UHFFFAOYSA-N 2 0 301.438 2.218 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590745 693573411 /nfs/dbraw/zinc/57/34/11/693573411.db2.gz FZYDAGGYPOFXLO-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590746 693573966 /nfs/dbraw/zinc/57/39/66/693573966.db2.gz FZYDAGGYPOFXLO-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767883 693616219 /nfs/dbraw/zinc/61/62/19/693616219.db2.gz ZKBNUAGZHANDKI-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001402321997 1162324431 /nfs/dbraw/zinc/32/44/31/1162324431.db2.gz WBDXMZVPWOKSQM-CABCVRRESA-N 2 0 313.873 2.096 20 30 DEEDRP CC(C)[N@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001335933976 1150563807 /nfs/dbraw/zinc/56/38/07/1150563807.db2.gz OZYBMOBSRVYPRP-UHFFFAOYSA-N 2 0 302.422 2.207 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001380275849 1152779969 /nfs/dbraw/zinc/77/99/69/1152779969.db2.gz XAEKVSSEQJMUDD-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001402882368 1162514674 /nfs/dbraw/zinc/51/46/74/1162514674.db2.gz HBVVBZGGEGOIMC-UHFFFAOYSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001381277537 1152979767 /nfs/dbraw/zinc/97/97/67/1152979767.db2.gz DHNHKXYVBNEYDJ-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001382543942 1153467523 /nfs/dbraw/zinc/46/75/23/1153467523.db2.gz XOBFYVOEUYCPIH-ZIAGYGMSSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001373291133 1156936941 /nfs/dbraw/zinc/93/69/41/1156936941.db2.gz QMYGVKIACZBZNA-GJZGRUSLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001397079439 1159950921 /nfs/dbraw/zinc/95/09/21/1159950921.db2.gz IRIKYTFIFUXGKB-OKILXGFUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001401239665 1161901863 /nfs/dbraw/zinc/90/18/63/1161901863.db2.gz NNNTXSMHWZNMBK-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001401239671 1161901979 /nfs/dbraw/zinc/90/19/79/1161901979.db2.gz NNNTXSMHWZNMBK-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001401715721 1162088478 /nfs/dbraw/zinc/08/84/78/1162088478.db2.gz XMEYSXCKTKYCEP-CQSZACIVSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420077933 1169144667 /nfs/dbraw/zinc/14/46/67/1169144667.db2.gz CKZUTEUDXAPONN-UONOGXRCSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001422135445 1172332376 /nfs/dbraw/zinc/33/23/76/1172332376.db2.gz MUUNGUQLWFGQQJ-OAHLLOKOSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001424840180 1173978532 /nfs/dbraw/zinc/97/85/32/1173978532.db2.gz KGFFNYOTJMXLCP-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001426140351 1174613838 /nfs/dbraw/zinc/61/38/38/1174613838.db2.gz UJBZTRRGLBMKKU-OCCSQVGLSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001426225580 1174659259 /nfs/dbraw/zinc/65/92/59/1174659259.db2.gz LFTOFVKTIDVMNF-SHARSMKWSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001438527893 1180554336 /nfs/dbraw/zinc/55/43/36/1180554336.db2.gz ZUTYAYGADGUFBI-ZFWWWQNUSA-N 2 0 315.889 2.203 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001444823108 1183571688 /nfs/dbraw/zinc/57/16/88/1183571688.db2.gz CPBISGAXWPOWAX-UONOGXRCSA-N 2 0 324.856 2.312 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001444823109 1183572246 /nfs/dbraw/zinc/57/22/46/1183572246.db2.gz CPBISGAXWPOWAX-ZIAGYGMSSA-N 2 0 324.856 2.312 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001446436707 1184349352 /nfs/dbraw/zinc/34/93/52/1184349352.db2.gz BUNZNGXIAGOLLN-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001406184872 1164497808 /nfs/dbraw/zinc/49/78/08/1164497808.db2.gz NFEWOUKRRUDGLD-CABCVRRESA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001370566570 1149811276 /nfs/dbraw/zinc/81/12/76/1149811276.db2.gz VBVPDOYWBRYGKZ-KKUMJFAQSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001332143606 1149825316 /nfs/dbraw/zinc/82/53/16/1149825316.db2.gz BOGXPGOBWNLGNY-IXDOHACOSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001370667866 1149826355 /nfs/dbraw/zinc/82/63/55/1149826355.db2.gz CBIFBCGOUJYRHE-HZSPNIEDSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001333180065 1150011092 /nfs/dbraw/zinc/01/10/92/1150011092.db2.gz MVHLMZDZUDVKDK-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356555 782794143 /nfs/dbraw/zinc/79/41/43/782794143.db2.gz HBAMVCSHTUPBRB-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728568 782891632 /nfs/dbraw/zinc/89/16/32/782891632.db2.gz JWPPBEWNMJYMSY-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493158 783160070 /nfs/dbraw/zinc/16/00/70/783160070.db2.gz UOAWKFUXKXMXBM-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP CCC#C[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001167469574 777118909 /nfs/dbraw/zinc/11/89/09/777118909.db2.gz ZRFASEZPGROCNC-INIZCTEOSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100731936 777972931 /nfs/dbraw/zinc/97/29/31/777972931.db2.gz MFJWENRLRCOYCC-KLAILNCOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676530 778015543 /nfs/dbraw/zinc/01/55/43/778015543.db2.gz NZNWRJJUUXCURN-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832500 778205139 /nfs/dbraw/zinc/20/51/39/778205139.db2.gz DLMUJBOWMFSCQA-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788827 778294694 /nfs/dbraw/zinc/29/46/94/778294694.db2.gz LQSJSUSHTFJVLV-JZXOWHBKSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602619 779374220 /nfs/dbraw/zinc/37/42/20/779374220.db2.gz WSFPMGKXXBXIDN-IXDOHACOSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088381248 780050119 /nfs/dbraw/zinc/05/01/19/780050119.db2.gz AIWNVOFMUISSMU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001088430647 780116425 /nfs/dbraw/zinc/11/64/25/780116425.db2.gz VBSFFPFTVAVHDD-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101589312 780461676 /nfs/dbraw/zinc/46/16/76/780461676.db2.gz HOBKGGHHLNNBEO-INIZCTEOSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088810328 781021637 /nfs/dbraw/zinc/02/16/37/781021637.db2.gz YCDDTAWYFIZGBN-IKGGRYGDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324441 781217951 /nfs/dbraw/zinc/21/79/51/781217951.db2.gz SOXRBXRHHMOCCS-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001091068580 790890209 /nfs/dbraw/zinc/89/02/09/790890209.db2.gz VBYMGKVYFTTXSV-VMBOVVBDSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948388366 783449278 /nfs/dbraw/zinc/44/92/78/783449278.db2.gz DRKOYOBEPYVOGL-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473382 783478102 /nfs/dbraw/zinc/47/81/02/783478102.db2.gz FIWSQPPEQPRPLO-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001085225513 783590371 /nfs/dbraw/zinc/59/03/71/783590371.db2.gz ZKSDVUQLZOYUMM-BRWVUGGUSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205359 783905958 /nfs/dbraw/zinc/90/59/58/783905958.db2.gz KTKZGLCYBRUNMB-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085638879 783914973 /nfs/dbraw/zinc/91/49/73/783914973.db2.gz CEXZOVYRPOAZDI-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198623 791022081 /nfs/dbraw/zinc/02/20/81/791022081.db2.gz MQQCUKNDQFTLBW-CGZBRXJRSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000968677119 784535043 /nfs/dbraw/zinc/53/50/43/784535043.db2.gz WFZJVMXSLWDKHR-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001086282517 784541534 /nfs/dbraw/zinc/54/15/34/784541534.db2.gz PUBWRIALGOPOLB-GASCZTMLSA-N 2 0 319.449 2.405 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086364746 784626606 /nfs/dbraw/zinc/62/66/06/784626606.db2.gz PMUZJRBHZPVJQY-RBSFLKMASA-N 2 0 313.873 2.096 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936501 784659459 /nfs/dbraw/zinc/65/94/59/784659459.db2.gz JSDNGWNHQNOUFP-KRWDZBQOSA-N 2 0 324.428 2.332 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086400101 784672080 /nfs/dbraw/zinc/67/20/80/784672080.db2.gz VZFDREUMDXKIFS-VQHPVUNQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330326 784770837 /nfs/dbraw/zinc/77/08/37/784770837.db2.gz GMGANSMEAQCYPL-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007327440 784888892 /nfs/dbraw/zinc/88/88/92/784888892.db2.gz NUUBVDDCMOMPRV-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP N#CC1(c2ccc(-n3cncc3C[C@@H]([NH3+])CO)cc2)CCCCC1 ZINC001169073787 785029817 /nfs/dbraw/zinc/02/98/17/785029817.db2.gz COAUUBLNFNQGBE-MRXNPFEDSA-N 2 0 324.428 2.460 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765907 785532875 /nfs/dbraw/zinc/53/28/75/785532875.db2.gz UKPPGOUPOQPDEV-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109464206 785888089 /nfs/dbraw/zinc/88/80/89/785888089.db2.gz QNGUMGHROTUOPL-PMPSAXMXSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110014672 786128864 /nfs/dbraw/zinc/12/88/64/786128864.db2.gz CTHBDUUVNLSRDU-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110019201 786130175 /nfs/dbraw/zinc/13/01/75/786130175.db2.gz KKRGITJYFGGHAJ-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563111 786159319 /nfs/dbraw/zinc/15/93/19/786159319.db2.gz GIWXMUYGZZCZKK-AOIWGVFYSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071224 786391513 /nfs/dbraw/zinc/39/15/13/786391513.db2.gz LXAQFFOJKQOGSG-HNNXBMFYSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104936 787506005 /nfs/dbraw/zinc/50/60/05/787506005.db2.gz TWIUPCIQUURIAB-IKGGRYGDSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096105677 787506933 /nfs/dbraw/zinc/50/69/33/787506933.db2.gz AVRSXOQOQDWTGL-SQNIBIBYSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210875 787966999 /nfs/dbraw/zinc/96/69/99/787966999.db2.gz KMZKNMSBLLPNHE-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210877 787967992 /nfs/dbraw/zinc/96/79/92/787967992.db2.gz KMZKNMSBLLPNHE-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)CN1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409980 788063608 /nfs/dbraw/zinc/06/36/08/788063608.db2.gz IAYWAFLXARGOLR-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444941 788099964 /nfs/dbraw/zinc/09/99/64/788099964.db2.gz PGEWJAFYRYCJEF-OIISXLGYSA-N 2 0 310.401 2.246 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274072 788346495 /nfs/dbraw/zinc/34/64/95/788346495.db2.gz AVZOZDULJKIKCK-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370100 788900750 /nfs/dbraw/zinc/90/07/50/788900750.db2.gz XLCUVHBWPDTPNB-HZPDHXFCSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608679 789003836 /nfs/dbraw/zinc/00/38/36/789003836.db2.gz YZJVZLQLCMQWBL-CHWSQXEVSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730021 789053474 /nfs/dbraw/zinc/05/34/74/789053474.db2.gz RUBUSKNBPGTKPO-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892080 789123937 /nfs/dbraw/zinc/12/39/37/789123937.db2.gz JUYSCTYZXGZYHX-KBPBESRZSA-N 2 0 300.406 2.397 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081969 789192804 /nfs/dbraw/zinc/19/28/04/789192804.db2.gz VXFNMIMRSQDUSN-JKSUJKDBSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086739927 789387367 /nfs/dbraw/zinc/38/73/67/789387367.db2.gz AAEPSPMRRYDZIC-GVDBMIGSSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861746 789544305 /nfs/dbraw/zinc/54/43/05/789544305.db2.gz HGICNDZYZRZANC-RRFJBIMHSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682146 789862789 /nfs/dbraw/zinc/86/27/89/789862789.db2.gz HRWFKLRMLDANOB-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820671 789929440 /nfs/dbraw/zinc/92/94/40/789929440.db2.gz BQTGGVANJHNOMA-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc(C3=[NH+]CCC3)c2)cc1 ZINC001171258629 791170394 /nfs/dbraw/zinc/17/03/94/791170394.db2.gz HRHYGMGNGKUUSS-UHFFFAOYSA-N 2 0 306.369 2.405 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292897 791730885 /nfs/dbraw/zinc/73/08/85/791730885.db2.gz ZKOOVXIHTYKSTF-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148838933 791809323 /nfs/dbraw/zinc/80/93/23/791809323.db2.gz IPOJRUGWCSTJMN-MRXNPFEDSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907875 791846389 /nfs/dbraw/zinc/84/63/89/791846389.db2.gz GERCJXKYCZXAJH-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101313 792095487 /nfs/dbraw/zinc/09/54/87/792095487.db2.gz SFMSZYKMOSFDLO-HKUYNNGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671578 792109410 /nfs/dbraw/zinc/10/94/10/792109410.db2.gz MJMNGKANZIKRAB-KZNAEPCWSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467878 792112587 /nfs/dbraw/zinc/11/25/87/792112587.db2.gz ZOUUNJAVCXSEQQ-BDXSIMOUSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092736259 792122221 /nfs/dbraw/zinc/12/22/21/792122221.db2.gz NEHFSFYCNBYNRH-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP 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 792231054 /nfs/dbraw/zinc/23/10/54/792231054.db2.gz SRIFHSXJSVPXLO-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100405754 792631722 /nfs/dbraw/zinc/63/17/22/792631722.db2.gz LNSZGVUSPGSHCF-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150889 792648418 /nfs/dbraw/zinc/64/84/18/792648418.db2.gz MSHSONIKVGCAIJ-IKGGRYGDSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094449728 792929210 /nfs/dbraw/zinc/92/92/10/792929210.db2.gz VGFAJIQMEZXILI-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C[NH+]1C(C)(C)CC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1(C)C ZINC001171623578 793154180 /nfs/dbraw/zinc/15/41/80/793154180.db2.gz CRYSXKLVYPLISA-UHFFFAOYSA-N 2 0 316.449 2.142 20 30 DEEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172299079 793406868 /nfs/dbraw/zinc/40/68/68/793406868.db2.gz IYMREZUINDZUHJ-WBAXXEDZSA-N 2 0 313.445 2.460 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001094922412 793443482 /nfs/dbraw/zinc/44/34/82/793443482.db2.gz CRABQCKKKIPCLM-ULQDDVLXSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599915 793668716 /nfs/dbraw/zinc/66/87/16/793668716.db2.gz DCOIUZBFDJROID-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906902 794099178 /nfs/dbraw/zinc/09/91/78/794099178.db2.gz XXMUEQJOEBVDPG-IKGGRYGDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103752639 794213410 /nfs/dbraw/zinc/21/34/10/794213410.db2.gz RCBGECINAXKTMV-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581691 794248355 /nfs/dbraw/zinc/24/83/55/794248355.db2.gz RSDGTQZUCZDKNZ-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176278945 794389295 /nfs/dbraw/zinc/38/92/95/794389295.db2.gz KTQQTZTXAPWPCT-CQSZACIVSA-N 2 0 303.878 2.345 20 30 DEEDRP 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 794729536 /nfs/dbraw/zinc/72/95/36/794729536.db2.gz LVHHLTQYEPJRTH-VSZNYVQBSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730991 794899785 /nfs/dbraw/zinc/89/97/85/794899785.db2.gz XADNGCVSQBQEHY-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736272 794987709 /nfs/dbraw/zinc/98/77/09/794987709.db2.gz SECJECSXWHZJET-LUKYLMHMSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178811120 795002460 /nfs/dbraw/zinc/00/24/60/795002460.db2.gz RILQKCYOLCMCML-MSOLQXFVSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234412 795081058 /nfs/dbraw/zinc/08/10/58/795081058.db2.gz NGHMPZAKUWOJEX-XIRDDKMYSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234387 795081467 /nfs/dbraw/zinc/08/14/67/795081467.db2.gz MNOUECINQJGJHU-SZMVWBNQSA-N 2 0 319.493 2.406 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001179749090 795172281 /nfs/dbraw/zinc/17/22/81/795172281.db2.gz WUCQVEZCHRAMTJ-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788172 795176564 /nfs/dbraw/zinc/17/65/64/795176564.db2.gz PPCISGKUKLKWIP-DLBZAZTESA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180064988 795234605 /nfs/dbraw/zinc/23/46/05/795234605.db2.gz CPZBQWYGLBRAQA-ZWKOTPCHSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001121974238 795711379 /nfs/dbraw/zinc/71/13/79/795711379.db2.gz GZWVGAZPGVCRFA-IAGOWNOFSA-N 2 0 319.449 2.098 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623991 795714692 /nfs/dbraw/zinc/71/46/92/795714692.db2.gz XKUHRUOKHOCERD-CRAIPNDOSA-N 2 0 309.498 2.225 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122055359 795722033 /nfs/dbraw/zinc/72/20/33/795722033.db2.gz BHKYZWGASBNCBB-KZIPQDEESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122055677 795722043 /nfs/dbraw/zinc/72/20/43/795722043.db2.gz GJMIIVHLFZLTPS-FIXVGMIGSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183516842 795879851 /nfs/dbraw/zinc/87/98/51/795879851.db2.gz BDEYOEBFUPYYEM-SJLPKXTDSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184807173 796122122 /nfs/dbraw/zinc/12/21/22/796122122.db2.gz XKOZTZRJMFSXNR-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185029882 796174743 /nfs/dbraw/zinc/17/47/43/796174743.db2.gz JCFRWQPOHPZAFQ-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185159525 796198014 /nfs/dbraw/zinc/19/80/14/796198014.db2.gz ZFJJTZYNBVMEJS-LTIDMASMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001185199343 796210562 /nfs/dbraw/zinc/21/05/62/796210562.db2.gz LDFLNSOZVJGLCY-OAHLLOKOSA-N 2 0 305.422 2.112 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185762139 796312001 /nfs/dbraw/zinc/31/20/01/796312001.db2.gz MRQCAMZHKVDQQE-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034626 796482185 /nfs/dbraw/zinc/48/21/85/796482185.db2.gz KHAWCOGRYVAQGH-QZTJIDSGSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699812 796795822 /nfs/dbraw/zinc/79/58/22/796795822.db2.gz UDPAYYWPXDWPGC-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149020 796939637 /nfs/dbraw/zinc/93/96/37/796939637.db2.gz OKKZJMXTZLQTSU-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116798 797466848 /nfs/dbraw/zinc/46/68/48/797466848.db2.gz WBCKQYTXSQMSKB-CQSZACIVSA-N 2 0 312.417 2.106 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)c1ccn2c(C)cnc2c1 ZINC001158062231 798335615 /nfs/dbraw/zinc/33/56/15/798335615.db2.gz QTCHVYAPUYKLDD-UHFFFAOYSA-N 2 0 300.406 2.318 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419688 798404331 /nfs/dbraw/zinc/40/43/31/798404331.db2.gz WNDLUXKWVOEKBL-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480388 798413779 /nfs/dbraw/zinc/41/37/79/798413779.db2.gz LHGPBNULXQLPDL-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159629100 798590892 /nfs/dbraw/zinc/59/08/92/798590892.db2.gz UGLZBOCELQVXGJ-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838439 798616504 /nfs/dbraw/zinc/61/65/04/798616504.db2.gz MPLDSDJPUXSYNC-IRXDYDNUSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169721 798657920 /nfs/dbraw/zinc/65/79/20/798657920.db2.gz ZBUYIAAQQUVSAH-ZWKOTPCHSA-N 2 0 319.493 2.431 20 30 DEEDRP COc1cc(C#N)cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201673645 798781617 /nfs/dbraw/zinc/78/16/17/798781617.db2.gz YZKGMJFWIUOCKB-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP COc1ccc(C#N)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201666467 798787486 /nfs/dbraw/zinc/78/74/86/798787486.db2.gz AASRMEUXWLDPFM-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP 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 798835452 /nfs/dbraw/zinc/83/54/52/798835452.db2.gz FWGSZJZMRSRDPM-ILOCAZANSA-N 2 0 319.493 2.404 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161397985 798846417 /nfs/dbraw/zinc/84/64/17/798846417.db2.gz LVKUHBHJHYPJJE-KRWDZBQOSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161446085 798860940 /nfs/dbraw/zinc/86/09/40/798860940.db2.gz WKGDKSMEPKWUNJ-ROUUACIJSA-N 2 0 317.477 2.328 20 30 DEEDRP 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 799479521 /nfs/dbraw/zinc/47/95/21/799479521.db2.gz KEMCYNMQYUFSSL-LTIDMASMSA-N 2 0 305.466 2.157 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259356 800026827 /nfs/dbraw/zinc/02/68/27/800026827.db2.gz WMCVBRYXRUPHIA-CVEARBPZSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316659 800036708 /nfs/dbraw/zinc/03/67/08/800036708.db2.gz IJISLKHKHMJTQW-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203614440 800089780 /nfs/dbraw/zinc/08/97/80/800089780.db2.gz JFDRCPKGNJOEEX-HZPDHXFCSA-N 2 0 317.477 2.065 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770207 800120302 /nfs/dbraw/zinc/12/03/02/800120302.db2.gz FFLLDXYAMHMOOE-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP N#Cc1ccc(Br)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205040766 800289534 /nfs/dbraw/zinc/28/95/34/800289534.db2.gz HRZKLUGANSVQQJ-UHFFFAOYSA-N 2 0 308.223 2.491 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206274836 800500422 /nfs/dbraw/zinc/50/04/22/800500422.db2.gz LOLHRYCAZFIYEA-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750179 801062785 /nfs/dbraw/zinc/06/27/85/801062785.db2.gz ZBZDJQQSOXJJNS-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208758601 801065001 /nfs/dbraw/zinc/06/50/01/801065001.db2.gz LWIXCCROERBGDL-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001209423850 801190213 /nfs/dbraw/zinc/19/02/13/801190213.db2.gz FHDWIDDWRGZVHX-SQNIBIBYSA-N 2 0 317.481 2.419 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCCCCC ZINC001229180353 801236953 /nfs/dbraw/zinc/23/69/53/801236953.db2.gz HAKUKJONFNOZPZ-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP COc1cc(C#N)cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210271325 801366004 /nfs/dbraw/zinc/36/60/04/801366004.db2.gz NHIBKBKPEUWYIN-UHFFFAOYSA-N 2 0 309.373 2.115 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329961 801377915 /nfs/dbraw/zinc/37/79/15/801377915.db2.gz JXKOBCBPMZNBIW-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611660 801436752 /nfs/dbraw/zinc/43/67/52/801436752.db2.gz XFIPMPAIEXYAQR-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211367093 801555161 /nfs/dbraw/zinc/55/51/61/801555161.db2.gz NVHKHLWWRNICIG-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214610873 801739099 /nfs/dbraw/zinc/73/90/99/801739099.db2.gz GXNPSKFSMXFXDW-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214856146 801766620 /nfs/dbraw/zinc/76/66/20/801766620.db2.gz XGVZZVXAJOVZDI-NXHRZFHOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215778574 801903897 /nfs/dbraw/zinc/90/38/97/801903897.db2.gz SMDBUDBLGAFEIL-ZACQAIPSSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216323888 801963306 /nfs/dbraw/zinc/96/33/06/801963306.db2.gz NYEVXDAPBKYGAC-KZNAEPCWSA-N 2 0 319.493 2.101 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752425 802022788 /nfs/dbraw/zinc/02/27/88/802022788.db2.gz OFPFYTXGOWKBJG-IXDOHACOSA-N 2 0 309.498 2.345 20 30 DEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1sc2ccccc2c1C#N ZINC001218648658 802221926 /nfs/dbraw/zinc/22/19/26/802221926.db2.gz IFUXKLRILWZASN-ZDUSSCGKSA-N 2 0 316.430 2.428 20 30 DEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cccc(CC#N)c1 ZINC001218988139 802270052 /nfs/dbraw/zinc/27/00/52/802270052.db2.gz RTXRATJWCDCRMQ-INIZCTEOSA-N 2 0 302.422 2.187 20 30 DEEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220663511 802483727 /nfs/dbraw/zinc/48/37/27/802483727.db2.gz GZUCVEWTHNNHQP-CABCVRRESA-N 2 0 319.449 2.275 20 30 DEEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001220917196 802513027 /nfs/dbraw/zinc/51/30/27/802513027.db2.gz QTLULPPYQONIIN-WMZOPIPTSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772996 802612815 /nfs/dbraw/zinc/61/28/15/802612815.db2.gz UQOIIXKHNKBAPW-BRWVUGGUSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226932598 803177304 /nfs/dbraw/zinc/17/73/04/803177304.db2.gz MDVRNTVRRZRZDQ-KFWWJZLASA-N 2 0 315.889 2.342 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227619058 803260987 /nfs/dbraw/zinc/26/09/87/803260987.db2.gz MFHQPHXUITXQQJ-INIZCTEOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877022 803290507 /nfs/dbraw/zinc/29/05/07/803290507.db2.gz NHHQFTRMHOTYCX-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228889092 803426135 /nfs/dbraw/zinc/42/61/35/803426135.db2.gz RXOPMNUQDACXIE-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001328039303 1148705517 /nfs/dbraw/zinc/70/55/17/1148705517.db2.gz QKIQKSFIXFSVTN-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC001346236316 1150956845 /nfs/dbraw/zinc/95/68/45/1150956845.db2.gz DSARTYRQDMENJF-AWEZNQCLSA-N 2 0 301.217 2.181 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106614 1058495399 /nfs/dbraw/zinc/49/53/99/1058495399.db2.gz IHIYZRRNTUWZHJ-RYQLBKOJSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC)C2CCCC2)CC1 ZINC001500130070 1058510717 /nfs/dbraw/zinc/51/07/17/1058510717.db2.gz AGWKJESUCYBJSH-SFHVURJKSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001500131178 1058515209 /nfs/dbraw/zinc/51/52/09/1058515209.db2.gz KRIKJVWFANYRKA-MSOLQXFVSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001500381763 1058736995 /nfs/dbraw/zinc/73/69/95/1058736995.db2.gz DQLSTWOPSXSXQE-HKUYNNGSSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001501118256 1059300038 /nfs/dbraw/zinc/30/00/38/1059300038.db2.gz IUKUBKUAJLCKPH-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001501222932 1059390729 /nfs/dbraw/zinc/39/07/29/1059390729.db2.gz AAWKQRWHJJJQKJ-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479453194 1061463616 /nfs/dbraw/zinc/46/36/16/1061463616.db2.gz ALWZIDDAQAQDQI-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479570539 1061505405 /nfs/dbraw/zinc/50/54/05/1061505405.db2.gz YTCMLCHRLSIDPI-IKGGRYGDSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001479747961 1061674080 /nfs/dbraw/zinc/67/40/80/1061674080.db2.gz KAXWJACPMJTXTB-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329091174 1148864697 /nfs/dbraw/zinc/86/46/97/1148864697.db2.gz RXWPSMZMNHFDTO-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506677780 1062269893 /nfs/dbraw/zinc/26/98/93/1062269893.db2.gz GZBHSQYFRIYVCS-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480143675 1062383861 /nfs/dbraw/zinc/38/38/61/1062383861.db2.gz IJZTWRONWMDSMF-QAETUUGQSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001480211612 1062469961 /nfs/dbraw/zinc/46/99/61/1062469961.db2.gz UDSYBXHFNQNUNC-TWMKSMIVSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480267766 1062570485 /nfs/dbraw/zinc/57/04/85/1062570485.db2.gz REBKMJDCYQZLBZ-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001480408375 1062818169 /nfs/dbraw/zinc/81/81/69/1062818169.db2.gz RGYSFKYGVHQCRM-KLAILNCOSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507286038 1063033039 /nfs/dbraw/zinc/03/30/39/1063033039.db2.gz NHOLISLLCAVYAL-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001507347212 1063134457 /nfs/dbraw/zinc/13/44/57/1063134457.db2.gz HEVMDAJAVHKICH-CRAIPNDOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480738530 1063274677 /nfs/dbraw/zinc/27/46/77/1063274677.db2.gz GJOKZNPEJNPFBF-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001508149571 1063582523 /nfs/dbraw/zinc/58/25/23/1063582523.db2.gz BMVMFDMSJZLDTP-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001493206128 1063636893 /nfs/dbraw/zinc/63/68/93/1063636893.db2.gz DVXBPYMFXZZPDO-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001493837284 1063984582 /nfs/dbraw/zinc/98/45/82/1063984582.db2.gz RYLOBKXFPSOZAR-HNNXBMFYSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001493849844 1063991632 /nfs/dbraw/zinc/99/16/32/1063991632.db2.gz LJEXCWPTMACMHV-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001493893441 1064014393 /nfs/dbraw/zinc/01/43/93/1064014393.db2.gz UPCYWOZMQLBLAU-KRWDZBQOSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001567659343 1064321820 /nfs/dbraw/zinc/32/18/20/1064321820.db2.gz CVUZJSVUNJNIMX-NXHRZFHOSA-N 2 0 315.461 2.350 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567712582 1064370768 /nfs/dbraw/zinc/37/07/68/1064370768.db2.gz WULLXWOPJANJHX-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567729805 1064380549 /nfs/dbraw/zinc/38/05/49/1064380549.db2.gz OITYDVJHWRRHOY-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567731987 1064385652 /nfs/dbraw/zinc/38/56/52/1064385652.db2.gz TXATWFMFCASCAR-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914760 1064512222 /nfs/dbraw/zinc/51/22/22/1064512222.db2.gz GSCQAAWNTSNDPM-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001568357922 1064802345 /nfs/dbraw/zinc/80/23/45/1064802345.db2.gz NLIFMBPUWLBAEF-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001568400499 1064838132 /nfs/dbraw/zinc/83/81/32/1064838132.db2.gz LLBOLCZWVZFRLG-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001495540087 1064972455 /nfs/dbraw/zinc/97/24/55/1064972455.db2.gz JNIDHXURQAFQJB-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569246584 1065392038 /nfs/dbraw/zinc/39/20/38/1065392038.db2.gz IJWLIUXCJZSTHR-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001569593006 1065612828 /nfs/dbraw/zinc/61/28/28/1065612828.db2.gz JNEFMRFOTOCXFN-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001499516754 1067243496 /nfs/dbraw/zinc/24/34/96/1067243496.db2.gz ZQVCJLADMDBZKO-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001499522835 1067244843 /nfs/dbraw/zinc/24/48/43/1067244843.db2.gz SXNTYLFONAEVSV-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001499790790 1067333986 /nfs/dbraw/zinc/33/39/86/1067333986.db2.gz WVILBQVDYHCJMC-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1CC[NH3+] ZINC001579441771 1067342089 /nfs/dbraw/zinc/34/20/89/1067342089.db2.gz RXQLQNRXXSDYCA-IUODEOHRSA-N 2 0 311.389 2.025 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267169301 1078633460 /nfs/dbraw/zinc/63/34/60/1078633460.db2.gz MWOWUPOMXAKAAL-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001267185293 1078649248 /nfs/dbraw/zinc/64/92/48/1078649248.db2.gz MKLHWAAGRCQSMU-GDBMZVCRSA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001571537394 1068404972 /nfs/dbraw/zinc/40/49/72/1068404972.db2.gz BCOYVOSFGHAHSH-IRXDYDNUSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001571651640 1068459774 /nfs/dbraw/zinc/45/97/74/1068459774.db2.gz ZHWULNUWAZUUKV-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001267334869 1078772693 /nfs/dbraw/zinc/77/26/93/1078772693.db2.gz TYPPQNZPXCZPML-ROUUACIJSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001267371337 1078801394 /nfs/dbraw/zinc/80/13/94/1078801394.db2.gz YAALHGOMJPSEDD-SFHVURJKSA-N 2 0 315.461 2.351 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483698690 1078818846 /nfs/dbraw/zinc/81/88/46/1078818846.db2.gz UNXWIDPFFRXESC-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001267491537 1078916421 /nfs/dbraw/zinc/91/64/21/1078916421.db2.gz JIOKJZSNZZMWLZ-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001272486284 1078918535 /nfs/dbraw/zinc/91/85/35/1078918535.db2.gz PNCUYQAURRBXPQ-HNNXBMFYSA-N 2 0 312.417 2.271 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001566534196 1072618787 /nfs/dbraw/zinc/61/87/87/1072618787.db2.gz RZNGTSSKLHJUFW-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC001267520767 1078950894 /nfs/dbraw/zinc/95/08/94/1078950894.db2.gz NTFQBDMVCDSEFZ-SJORKVTESA-N 2 0 324.428 2.079 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267588063 1079095788 /nfs/dbraw/zinc/09/57/88/1079095788.db2.gz FIDBLOQEASZEPJ-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001649433696 1079117416 /nfs/dbraw/zinc/11/74/16/1079117416.db2.gz LVVMLUHDFGRDSB-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001649448958 1079124222 /nfs/dbraw/zinc/12/42/22/1079124222.db2.gz HFIYURRLBOZCRW-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001483811926 1079137192 /nfs/dbraw/zinc/13/71/92/1079137192.db2.gz ALMMDLRZNOLIMH-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484161192 1079335842 /nfs/dbraw/zinc/33/58/42/1079335842.db2.gz OFIQKHRNVRFZBI-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484172249 1079337614 /nfs/dbraw/zinc/33/76/14/1079337614.db2.gz GUZKHOQOOXGWFF-SFHVURJKSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001566532729 1075271596 /nfs/dbraw/zinc/27/15/96/1075271596.db2.gz AIQCFRWKZMYWHN-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001566699251 1075320156 /nfs/dbraw/zinc/32/01/56/1075320156.db2.gz BMQQTJXEWKATKX-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001566745382 1075333620 /nfs/dbraw/zinc/33/36/20/1075333620.db2.gz LNECJXGNJOCXMR-KRWDZBQOSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001566841858 1075358521 /nfs/dbraw/zinc/35/85/21/1075358521.db2.gz IJZTWRONWMDSMF-MWDXBVQZSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001566902227 1075379693 /nfs/dbraw/zinc/37/96/93/1075379693.db2.gz QMNQZFMXOZOOJU-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001267710832 1079397860 /nfs/dbraw/zinc/39/78/60/1079397860.db2.gz ANPUXGLRCRNATF-QZWWFDLISA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566963811 1075401715 /nfs/dbraw/zinc/40/17/15/1075401715.db2.gz ZRMBBFDQVYTCMD-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566963813 1075402230 /nfs/dbraw/zinc/40/22/30/1075402230.db2.gz ZRMBBFDQVYTCMD-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054174 1075423860 /nfs/dbraw/zinc/42/38/60/1075423860.db2.gz LSCWLGBVDUQVJO-WMLDXEAASA-N 2 0 313.461 2.259 20 30 DEEDRP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567166567 1075450195 /nfs/dbraw/zinc/45/01/95/1075450195.db2.gz GGOYEYZCZSPTOE-HOTGVXAUSA-N 2 0 324.428 2.297 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001567264080 1075480733 /nfs/dbraw/zinc/48/07/33/1075480733.db2.gz BHNFXKIWHWXFCV-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001267740053 1079434661 /nfs/dbraw/zinc/43/46/61/1079434661.db2.gz RPDQTAIMTRTMBN-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267831733 1079520823 /nfs/dbraw/zinc/52/08/23/1079520823.db2.gz SUCHQIVHAPJYLK-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484343170 1079552917 /nfs/dbraw/zinc/55/29/17/1079552917.db2.gz NAPPFRFIUWOFQP-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001267874436 1079563093 /nfs/dbraw/zinc/56/30/93/1079563093.db2.gz UIMGBFIXNXWWMV-AEFFLSMTSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267911907 1079595483 /nfs/dbraw/zinc/59/54/83/1079595483.db2.gz GVECLEWWEXTNNF-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001267944770 1079624259 /nfs/dbraw/zinc/62/42/59/1079624259.db2.gz LENGPFBGXMKKRX-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001484943082 1079876425 /nfs/dbraw/zinc/87/64/25/1079876425.db2.gz UOFCEOIQQXVNRP-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481517275 1079986342 /nfs/dbraw/zinc/98/63/42/1079986342.db2.gz GIUXCZNJMWHZKP-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001656092218 1080039189 /nfs/dbraw/zinc/03/91/89/1080039189.db2.gz GMUFATXVTXILKF-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001656108944 1080046766 /nfs/dbraw/zinc/04/67/66/1080046766.db2.gz AOHYDLMOVLUHMI-IRXDYDNUSA-N 2 0 309.498 2.441 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)CCC=C)CC1 ZINC001268099002 1080072184 /nfs/dbraw/zinc/07/21/84/1080072184.db2.gz KDCQPQMCZSZFAK-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001279262500 1080093498 /nfs/dbraw/zinc/09/34/98/1080093498.db2.gz PIDCTYYRMOYPNZ-QAQDUYKDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001671428747 1080105254 /nfs/dbraw/zinc/10/52/54/1080105254.db2.gz KKQKJNKAAHUWRI-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CCN1CC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481596228 1080120006 /nfs/dbraw/zinc/12/00/06/1080120006.db2.gz MBELQOUWBWAJBK-SFHVURJKSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272699272 1080150592 /nfs/dbraw/zinc/15/05/92/1080150592.db2.gz FHKXAMMKZUVJNC-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001485436984 1080207051 /nfs/dbraw/zinc/20/70/51/1080207051.db2.gz BRBYORBLRJANNH-ROUUACIJSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485585254 1080315343 /nfs/dbraw/zinc/31/53/43/1080315343.db2.gz KSBJQQHSYUQUPV-CVEARBPZSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001660474102 1080337050 /nfs/dbraw/zinc/33/70/50/1080337050.db2.gz AJZOEWPRCCSHAS-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001485664427 1080354354 /nfs/dbraw/zinc/35/43/54/1080354354.db2.gz FOPLEUMSXVWJIE-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001661231036 1080460686 /nfs/dbraw/zinc/46/06/86/1080460686.db2.gz CKRGUFLOLWQUST-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)cc1Cl ZINC001238085381 1080529806 /nfs/dbraw/zinc/52/98/06/1080529806.db2.gz DZHTWXCZBXLEAZ-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001661943473 1080547453 /nfs/dbraw/zinc/54/74/53/1080547453.db2.gz PFBWDNAIEQLOJT-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001481960612 1080651431 /nfs/dbraw/zinc/65/14/31/1080651431.db2.gz GPGALCHBZPIIIQ-APWZRJJASA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001664587645 1080928634 /nfs/dbraw/zinc/92/86/34/1080928634.db2.gz DNYMDXOCXFGXGF-DLBZAZTESA-N 2 0 303.450 2.206 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001664599518 1080931809 /nfs/dbraw/zinc/93/18/09/1080931809.db2.gz SHEMCDWOYPDXOW-AEFFLSMTSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001665686309 1081063184 /nfs/dbraw/zinc/06/31/84/1081063184.db2.gz HPKPVITUXGDGTC-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665737135 1081072945 /nfs/dbraw/zinc/07/29/45/1081072945.db2.gz GZQFQDGFVSAFIC-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCC1 ZINC001665964108 1081104037 /nfs/dbraw/zinc/10/40/37/1081104037.db2.gz NVPFUWPSAFYBSW-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001666152565 1081128772 /nfs/dbraw/zinc/12/87/72/1081128772.db2.gz QRLGNPCWRBLFAX-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001666568946 1081163175 /nfs/dbraw/zinc/16/31/75/1081163175.db2.gz XLJRDKHDVPSFPY-INIZCTEOSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001666759611 1081178949 /nfs/dbraw/zinc/17/89/49/1081178949.db2.gz CSAFMVVTDNMLBB-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001666800001 1081181817 /nfs/dbraw/zinc/18/18/17/1081181817.db2.gz BPUDBDWLVFQJEO-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001666829764 1081184929 /nfs/dbraw/zinc/18/49/29/1081184929.db2.gz UBFONYZQBTVCCH-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001269460892 1081254900 /nfs/dbraw/zinc/25/49/00/1081254900.db2.gz YZZOLLDVDJRBQW-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001667695471 1081274966 /nfs/dbraw/zinc/27/49/66/1081274966.db2.gz XMPPZHRWFRRHHI-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001269731372 1081349016 /nfs/dbraw/zinc/34/90/16/1081349016.db2.gz ZINJIKUCMBDCLJ-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270486680 1081535416 /nfs/dbraw/zinc/53/54/16/1081535416.db2.gz OVISFZHSYMUVMG-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001671801872 1081540197 /nfs/dbraw/zinc/54/01/97/1081540197.db2.gz UOAMJFZVLPHCOG-GOSISDBHSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001270511372 1081540553 /nfs/dbraw/zinc/54/05/53/1081540553.db2.gz AKJDSPCUYAVQBZ-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001671854239 1081543496 /nfs/dbraw/zinc/54/34/96/1081543496.db2.gz PBERXLBTUCJTNH-MRXNPFEDSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001270788263 1081713217 /nfs/dbraw/zinc/71/32/17/1081713217.db2.gz IAOFJHRXVLNMSK-SJLPKXTDSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482398384 1081791698 /nfs/dbraw/zinc/79/16/98/1081791698.db2.gz KHDGOVRIOZXENS-QGZVFWFLSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001280387911 1082013312 /nfs/dbraw/zinc/01/33/12/1082013312.db2.gz IXELASJUCXPSGK-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001271405768 1082032101 /nfs/dbraw/zinc/03/21/01/1082032101.db2.gz YLPBOQNPRRQBQH-KBXCAEBGSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001271507502 1082069112 /nfs/dbraw/zinc/06/91/12/1082069112.db2.gz HGLWPSOTEJTSDS-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001266494798 1082074163 /nfs/dbraw/zinc/07/41/63/1082074163.db2.gz AEAUVAGEQWSQOS-MSOLQXFVSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001271777089 1082151767 /nfs/dbraw/zinc/15/17/67/1082151767.db2.gz FEHQORFPFAVRCP-BRWVUGGUSA-N 2 0 307.482 2.026 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001482538665 1082185643 /nfs/dbraw/zinc/18/56/43/1082185643.db2.gz UZTYPKPTSYETGQ-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482678798 1082469755 /nfs/dbraw/zinc/46/97/55/1082469755.db2.gz SWDAZZDTYJWQMH-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483051710 1082663838 /nfs/dbraw/zinc/66/38/38/1082663838.db2.gz XCLUFWLZGALBLQ-LKGOPFMKSA-N 2 0 317.477 2.069 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001272216878 1082677761 /nfs/dbraw/zinc/67/77/61/1082677761.db2.gz XYUSKCHZIOWHDC-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483172219 1082791290 /nfs/dbraw/zinc/79/12/90/1082791290.db2.gz KGYCGWBGZDIGGS-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001409443324 1082891614 /nfs/dbraw/zinc/89/16/14/1082891614.db2.gz KCFNRGDZYAASCO-CYBMUJFWSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546639 1083475654 /nfs/dbraw/zinc/47/56/54/1083475654.db2.gz KMWSZUYXQQUHOQ-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001276602548 1083508938 /nfs/dbraw/zinc/50/89/38/1083508938.db2.gz AKFQKQRJGZNLFD-ROUUACIJSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001276839603 1083640298 /nfs/dbraw/zinc/64/02/98/1083640298.db2.gz KTMQMLBGWCWDIZ-KSZLIROESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001276885870 1083665857 /nfs/dbraw/zinc/66/58/57/1083665857.db2.gz CZFXCAFDAYMMOF-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001277002207 1083728332 /nfs/dbraw/zinc/72/83/32/1083728332.db2.gz XFDVUKQFQPHUKB-QAETUUGQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001277053540 1083749803 /nfs/dbraw/zinc/74/98/03/1083749803.db2.gz LOTWHWNXNCRQOD-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001277397558 1083946627 /nfs/dbraw/zinc/94/66/27/1083946627.db2.gz OJPFJUKPRPBKGD-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001277872764 1084186536 /nfs/dbraw/zinc/18/65/36/1084186536.db2.gz RYYZITXOAPOTEQ-CYBMUJFWSA-N 2 0 300.406 2.269 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491272571 1084200806 /nfs/dbraw/zinc/20/08/06/1084200806.db2.gz YCCZFJFRFKFMDY-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491298170 1084222094 /nfs/dbraw/zinc/22/20/94/1084222094.db2.gz UTXFLZFDEAVJQO-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001277951008 1084453793 /nfs/dbraw/zinc/45/37/93/1084453793.db2.gz BUGPCCVNVYIPJQ-SFHVURJKSA-N 2 0 306.498 2.420 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001078682805 1084796420 /nfs/dbraw/zinc/79/64/20/1084796420.db2.gz IKOFENXPQCOFNY-CVEARBPZSA-N 2 0 310.401 2.151 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001078670056 1084802543 /nfs/dbraw/zinc/80/25/43/1084802543.db2.gz DJVBNWZAFWVNHK-JKSUJKDBSA-N 2 0 310.401 2.151 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001486232535 1085139785 /nfs/dbraw/zinc/13/97/85/1085139785.db2.gz YFLCIOJOXXWWMD-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001486412000 1085283066 /nfs/dbraw/zinc/28/30/66/1085283066.db2.gz UIBFVXMZMMGZOK-HOTGVXAUSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001486515854 1085400406 /nfs/dbraw/zinc/40/04/06/1085400406.db2.gz RYGVYOKTPFDLCF-GOSISDBHSA-N 2 0 323.456 2.133 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000965424949 1085603229 /nfs/dbraw/zinc/60/32/29/1085603229.db2.gz PECOMWHWKYBEIY-VIIJNVHASA-N 2 0 317.477 2.206 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961284584 1085671086 /nfs/dbraw/zinc/67/10/86/1085671086.db2.gz NRDCHBITVPLXES-QZTJIDSGSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379908 1085712183 /nfs/dbraw/zinc/71/21/83/1085712183.db2.gz WREFQBZFCNZUKZ-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001494206705 1085836083 /nfs/dbraw/zinc/83/60/83/1085836083.db2.gz QUEZHFFRCAVREX-INIZCTEOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001273010950 1085940008 /nfs/dbraw/zinc/94/00/08/1085940008.db2.gz XRMYFXMLZHRWBB-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273052808 1086091577 /nfs/dbraw/zinc/09/15/77/1086091577.db2.gz PUMZGXLQHCKVND-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001671060142 1086363141 /nfs/dbraw/zinc/36/31/41/1086363141.db2.gz WONCPXBRYOMXDN-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000963327268 1086409581 /nfs/dbraw/zinc/40/95/81/1086409581.db2.gz WXPMZRRFFMIXRE-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417581 1086448144 /nfs/dbraw/zinc/44/81/44/1086448144.db2.gz NXTXQIBUGDEVFH-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000963633303 1086520886 /nfs/dbraw/zinc/52/08/86/1086520886.db2.gz RFTFLTVIQGGFBP-UHFFFAOYSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C[NH+]1CCCCC1)C(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001273147000 1086997972 /nfs/dbraw/zinc/99/79/72/1086997972.db2.gz VDECVUXERUUEAS-MSOLQXFVSA-N 2 0 305.466 2.210 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079686619 1088317249 /nfs/dbraw/zinc/31/72/49/1088317249.db2.gz AOXBPIJVADIQLD-ZACQAIPSSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001082943636 1090109388 /nfs/dbraw/zinc/10/93/88/1090109388.db2.gz UHDWGJPQZVUYCA-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701375 1090402767 /nfs/dbraw/zinc/40/27/67/1090402767.db2.gz ASJMSOSWMONJIV-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001410394698 1090611880 /nfs/dbraw/zinc/61/18/80/1090611880.db2.gz XWNLVWLKXFZIFF-KBPBESRZSA-N 2 0 301.862 2.048 20 30 DEEDRP C=CCN1CC[C@@]2(CCCN2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274270369 1091158483 /nfs/dbraw/zinc/15/84/83/1091158483.db2.gz QQJFMWPIDDFZAE-SFHVURJKSA-N 2 0 310.401 2.316 20 30 DEEDRP C=CCCC[NH+]1CCC2(CCC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001274961769 1091487895 /nfs/dbraw/zinc/48/78/95/1091487895.db2.gz ADOGXHJEOWMEDG-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001274964568 1091490425 /nfs/dbraw/zinc/49/04/25/1091490425.db2.gz OMABBAJXMRVHDZ-HDICACEKSA-N 2 0 302.466 2.493 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001275036393 1091523904 /nfs/dbraw/zinc/52/39/04/1091523904.db2.gz UZIZAZUVJBCIQA-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001275183233 1091605138 /nfs/dbraw/zinc/60/51/38/1091605138.db2.gz DIPCVWYHNYUCPM-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001275189881 1091608618 /nfs/dbraw/zinc/60/86/18/1091608618.db2.gz BRDQCODAHAJSFV-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281454 1091923589 /nfs/dbraw/zinc/92/35/89/1091923589.db2.gz SITNTEBGWGSUHN-HZMVEIRTSA-N 2 0 317.477 2.158 20 30 DEEDRP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275912243 1092296092 /nfs/dbraw/zinc/29/60/92/1092296092.db2.gz KHKAYZASCKXCMS-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001490331880 1093317147 /nfs/dbraw/zinc/31/71/47/1093317147.db2.gz YQSORVJPDXFQSE-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490447883 1093361512 /nfs/dbraw/zinc/36/15/12/1093361512.db2.gz JWBYOVNJQHVDHS-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001490409514 1093368114 /nfs/dbraw/zinc/36/81/14/1093368114.db2.gz LNHUBJUPLKUJDU-MRXNPFEDSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CC[NH2+]CCN(Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236510740 1138369794 /nfs/dbraw/zinc/36/97/94/1138369794.db2.gz DKJHVCKZXRDTQU-UHFFFAOYSA-N 2 0 309.404 2.294 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001278004937 1138406593 /nfs/dbraw/zinc/40/65/93/1138406593.db2.gz HVIGIHBDESYENI-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP CCCCCCCNC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239216312 1138991392 /nfs/dbraw/zinc/99/13/92/1138991392.db2.gz NNXHRXMCFMQMKF-OAHLLOKOSA-N 2 0 310.486 2.130 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001491804802 1140316917 /nfs/dbraw/zinc/31/69/17/1140316917.db2.gz KQELRUDVPDIBQF-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001491804803 1140317324 /nfs/dbraw/zinc/31/73/24/1140317324.db2.gz KQELRUDVPDIBQF-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001318445125 1140332184 /nfs/dbraw/zinc/33/21/84/1140332184.db2.gz KBAVAHXQYOYARC-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001318654224 1140380180 /nfs/dbraw/zinc/38/01/80/1140380180.db2.gz NINQTWIKYICRGF-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001318916550 1140466706 /nfs/dbraw/zinc/46/67/06/1140466706.db2.gz BJXKHMASBWOPFH-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001319090543 1140501886 /nfs/dbraw/zinc/50/18/86/1140501886.db2.gz AWXQNAUDUDGFFE-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001319133126 1140510269 /nfs/dbraw/zinc/51/02/69/1140510269.db2.gz ZTTZSJIJTAGIOV-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)CC1 ZINC001319588931 1140620712 /nfs/dbraw/zinc/62/07/12/1140620712.db2.gz GPZXCAIZSRRSMY-INIZCTEOSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001319659894 1140646854 /nfs/dbraw/zinc/64/68/54/1140646854.db2.gz OPABEXYZHWIJSF-WBVHZDCISA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001329624745 1148945302 /nfs/dbraw/zinc/94/53/02/1148945302.db2.gz STRNJBALAHKQMW-WBVHZDCISA-N 2 0 303.450 2.302 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001319921461 1140803534 /nfs/dbraw/zinc/80/35/34/1140803534.db2.gz HKGOCEVEKIQSIU-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001319967276 1140807816 /nfs/dbraw/zinc/80/78/16/1140807816.db2.gz CXBRZNWKLFCUTN-KRWDZBQOSA-N 2 0 303.450 2.278 20 30 DEEDRP CCCCCCC[C@@H](C)[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246624045 1141009726 /nfs/dbraw/zinc/00/97/26/1141009726.db2.gz DGPJHBRVNYLNOR-QAPCUYQASA-N 2 0 307.482 2.147 20 30 DEEDRP N#Cc1ccc(C2CCC([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246645371 1141023332 /nfs/dbraw/zinc/02/33/32/1141023332.db2.gz UPOITQADDZIFFY-SOAGJPPSSA-N 2 0 324.472 2.222 20 30 DEEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719890 1141044086 /nfs/dbraw/zinc/04/40/86/1141044086.db2.gz HMXUCLXOFYRCTE-VSZNYVQBSA-N 2 0 308.466 2.201 20 30 DEEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719902 1141045044 /nfs/dbraw/zinc/04/50/44/1141045044.db2.gz HMXUCLXOFYRCTE-ZJPYXAASSA-N 2 0 308.466 2.201 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001323568761 1141865822 /nfs/dbraw/zinc/86/58/22/1141865822.db2.gz WQTKKYWUJRILKG-MRXNPFEDSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640244 1141872887 /nfs/dbraw/zinc/87/28/87/1141872887.db2.gz CQITWIQAXYCBBR-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858125 1141893657 /nfs/dbraw/zinc/89/36/57/1141893657.db2.gz ANESEHDJCVCSLH-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324558191 1142102064 /nfs/dbraw/zinc/10/20/64/1142102064.db2.gz YUJOHQMNAPDVCZ-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278564618 1142178534 /nfs/dbraw/zinc/17/85/34/1142178534.db2.gz JLSRAWSFEKUJMQ-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278573290 1142217588 /nfs/dbraw/zinc/21/75/88/1142217588.db2.gz WYWWSJVTMQMXJH-LSDHHAIUSA-N 2 0 312.417 2.317 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001278579579 1142233855 /nfs/dbraw/zinc/23/38/55/1142233855.db2.gz LNQMSHRRXBRHII-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001278582914 1142239791 /nfs/dbraw/zinc/23/97/91/1142239791.db2.gz RVZJHNMDSVWCMY-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001252121930 1142648384 /nfs/dbraw/zinc/64/83/84/1142648384.db2.gz NJYSZQLTUOYWFV-SFHVURJKSA-N 2 0 313.530 2.277 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C[C@@H]2CCOC2)C1 ZINC001338380435 1142852032 /nfs/dbraw/zinc/85/20/32/1142852032.db2.gz CCVGFBMEPRAVQZ-CVEARBPZSA-N 2 0 324.513 2.089 20 30 DEEDRP C#C[C@](C)(CC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254050377 1143031728 /nfs/dbraw/zinc/03/17/28/1143031728.db2.gz KYOZYNFJYXUBHU-GOSISDBHSA-N 2 0 300.446 2.405 20 30 DEEDRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254671763 1143308380 /nfs/dbraw/zinc/30/83/80/1143308380.db2.gz UDYJJZQGCIUEGT-ZWKOTPCHSA-N 2 0 306.498 2.418 20 30 DEEDRP CCOC(=O)[C@@H]1CC[C@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001257047128 1143882665 /nfs/dbraw/zinc/88/26/65/1143882665.db2.gz LIFWJTCFQVJJDR-SJORKVTESA-N 2 0 317.433 2.385 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC=C)C(C)(C)C)CC1 ZINC001279033830 1143948803 /nfs/dbraw/zinc/94/88/03/1143948803.db2.gz FYKQWAQUNAQJAA-KRWDZBQOSA-N 2 0 319.493 2.028 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001263917280 1144423813 /nfs/dbraw/zinc/42/38/13/1144423813.db2.gz YTAGUXBXHWKEHL-OKZBNKHCSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001264023674 1144443152 /nfs/dbraw/zinc/44/31/52/1144443152.db2.gz BPNKJQQIHQSYAL-QZTJIDSGSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001264174062 1144494620 /nfs/dbraw/zinc/49/46/20/1144494620.db2.gz QIZUTWQTZBMULI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001264518028 1144556987 /nfs/dbraw/zinc/55/69/87/1144556987.db2.gz NVTKITACLZXLIW-IAGOWNOFSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001265670286 1144725193 /nfs/dbraw/zinc/72/51/93/1144725193.db2.gz MXQZGNSEDOFRRI-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001265736520 1144736047 /nfs/dbraw/zinc/73/60/47/1144736047.db2.gz YIVXYFHDUQRXRK-UHFFFAOYSA-N 2 0 324.428 2.297 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265991001 1144778459 /nfs/dbraw/zinc/77/84/59/1144778459.db2.gz YDXVSQYMQJUJNI-OAHLLOKOSA-N 2 0 312.417 2.271 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266010056 1144785084 /nfs/dbraw/zinc/78/50/84/1144785084.db2.gz CYNXQAHENURJHY-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266099371 1144805262 /nfs/dbraw/zinc/80/52/62/1144805262.db2.gz FDIXOXALSNPMJP-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001279624356 1144826265 /nfs/dbraw/zinc/82/62/65/1144826265.db2.gz HISIXSRFALTSTG-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001279624357 1144826425 /nfs/dbraw/zinc/82/64/25/1144826425.db2.gz HISIXSRFALTSTG-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCC1 ZINC001280482967 1144842030 /nfs/dbraw/zinc/84/20/30/1144842030.db2.gz HRAZPTPJBWYIQZ-UHFFFAOYSA-N 2 0 319.474 2.075 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCCC)CC1 ZINC001281892810 1144918289 /nfs/dbraw/zinc/91/82/89/1144918289.db2.gz AYADBPLLRKQDEN-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001491857150 1146922992 /nfs/dbraw/zinc/92/29/92/1146922992.db2.gz XSFKMWQGGGAODI-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001366288164 1147194055 /nfs/dbraw/zinc/19/40/55/1147194055.db2.gz OODVVXUQNYEIIE-HIFRSBDPSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317043824 1147651925 /nfs/dbraw/zinc/65/19/25/1147651925.db2.gz KDFRIAUEQURHAZ-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317045802 1147652592 /nfs/dbraw/zinc/65/25/92/1147652592.db2.gz WXLLVHRKNKTUOD-IAGOWNOFSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317149497 1147666906 /nfs/dbraw/zinc/66/69/06/1147666906.db2.gz IYOUIPVOUKUZJU-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317172796 1147670511 /nfs/dbraw/zinc/67/05/11/1147670511.db2.gz FBOPQWPGBJOHCZ-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317342103 1147693342 /nfs/dbraw/zinc/69/33/42/1147693342.db2.gz FNXDNSGRYVBVDC-WMZOPIPTSA-N 2 0 315.461 2.304 20 30 DEEDRP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317376513 1147698853 /nfs/dbraw/zinc/69/88/53/1147698853.db2.gz PQFGQMGEKQDLBH-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317406420 1147702228 /nfs/dbraw/zinc/70/22/28/1147702228.db2.gz SETGAIVKHBMDSP-WMLDXEAASA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317406422 1147702471 /nfs/dbraw/zinc/70/24/71/1147702471.db2.gz SETGAIVKHBMDSP-YOEHRIQHSA-N 2 0 313.461 2.259 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001317686900 1147744162 /nfs/dbraw/zinc/74/41/62/1147744162.db2.gz SQUPBIRGUIJEKF-KRWDZBQOSA-N 2 0 307.482 2.099 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317848883 1147757687 /nfs/dbraw/zinc/75/76/87/1147757687.db2.gz PYMIFWRZMALMKG-BZSNNMDCSA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001317875630 1147759795 /nfs/dbraw/zinc/75/97/95/1147759795.db2.gz JOUBPGHVKAZLMA-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001318204931 1147795739 /nfs/dbraw/zinc/79/57/39/1147795739.db2.gz VVBRGFRCSJDBRQ-ULQDDVLXSA-N 2 0 317.477 2.255 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001324943144 1147860598 /nfs/dbraw/zinc/86/05/98/1147860598.db2.gz DPTHFBPGAARGAH-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001325421015 1147905180 /nfs/dbraw/zinc/90/51/80/1147905180.db2.gz YYYPAZQXMABIOU-KBPBESRZSA-N 2 0 310.401 2.026 20 30 DEEDRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+](C)C ZINC000291659148 404467643 /nfs/dbraw/zinc/46/76/43/404467643.db2.gz DURXUEUTWXMART-CQSZACIVSA-N 2 0 311.433 2.246 20 30 DEEDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000181689817 199339013 /nfs/dbraw/zinc/33/90/13/199339013.db2.gz JFINPSREWZEADB-HOTGVXAUSA-N 2 0 300.450 2.092 20 30 DEEDRP CN1CCC[NH+]=C1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000263116027 530000347 /nfs/dbraw/zinc/00/03/47/530000347.db2.gz LMWNLQOHIZWCFN-KRWDZBQOSA-N 2 0 300.450 2.178 20 30 DEEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523481 354535986 /nfs/dbraw/zinc/53/59/86/354535986.db2.gz JHECQCHHSRWXIZ-MAUKXSAKSA-N 2 0 322.497 2.093 20 30 DEEDRP CC[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC000083031389 355462484 /nfs/dbraw/zinc/46/24/84/355462484.db2.gz ZBWXZAFJQRXBAE-HOCLYGCPSA-N 2 0 316.449 2.289 20 30 DEEDRP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000591570731 357736955 /nfs/dbraw/zinc/73/69/55/357736955.db2.gz HPGIGOQEZNJLJU-PBHICJAKSA-N 2 0 313.449 2.042 20 30 DEEDRP Cc1nccc(N2CC[NH+](CCc3ccc(C#N)cc3)CC2)n1 ZINC000595438419 358448229 /nfs/dbraw/zinc/44/82/29/358448229.db2.gz PNYDBALYYSPMTR-UHFFFAOYSA-N 2 0 307.401 2.021 20 30 DEEDRP C=CCNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158878656 197308385 /nfs/dbraw/zinc/30/83/85/197308385.db2.gz FKPSARZGNBMGPR-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346146117 146023997 /nfs/dbraw/zinc/02/39/97/146023997.db2.gz VPRAZFUELLMUFZ-LSDHHAIUSA-N 2 0 318.440 2.374 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(C#N)ccc1F ZINC000374427060 148245913 /nfs/dbraw/zinc/24/59/13/148245913.db2.gz HAHCVRUQYTWUAA-KBAYOESNSA-N 2 0 317.408 2.381 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3[NH3+])C2)c(F)c1 ZINC000566090915 292204405 /nfs/dbraw/zinc/20/44/05/292204405.db2.gz IVUAPPSKFXEBTO-IMJJTQAJSA-N 2 0 302.397 2.136 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000126869180 401711216 /nfs/dbraw/zinc/71/12/16/401711216.db2.gz SMHGPZPAGLSEQC-KRWDZBQOSA-N 2 0 305.466 2.018 20 30 DEEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841309 401911885 /nfs/dbraw/zinc/91/18/85/401911885.db2.gz ZUNVHKHVCXBBMB-INIZCTEOSA-N 2 0 314.433 2.160 20 30 DEEDRP CC(C)CNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000104193778 402200219 /nfs/dbraw/zinc/20/02/19/402200219.db2.gz QSMIEIZIHZGZGL-UHFFFAOYSA-N 2 0 306.454 2.077 20 30 DEEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000178577331 402513654 /nfs/dbraw/zinc/51/36/54/402513654.db2.gz ZGMFZXJKVDZORK-MRXNPFEDSA-N 2 0 309.417 2.473 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000170908210 402540341 /nfs/dbraw/zinc/54/03/41/402540341.db2.gz YITURMRBEJHMBQ-HNNXBMFYSA-N 2 0 318.465 2.364 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000171565912 402594996 /nfs/dbraw/zinc/59/49/96/402594996.db2.gz PCLZUYSKRFWWCA-SFHVURJKSA-N 2 0 315.461 2.446 20 30 DEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000248837244 402610389 /nfs/dbraw/zinc/61/03/89/402610389.db2.gz NEIVTSZYCVXKRZ-ATZDWAIDSA-N 2 0 313.445 2.425 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000172621126 402666734 /nfs/dbraw/zinc/66/67/34/402666734.db2.gz TYXHGPNRCBHSMH-UHFFFAOYSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000345747057 403466996 /nfs/dbraw/zinc/46/69/96/403466996.db2.gz AZCDUQLDJQCICF-HOTGVXAUSA-N 2 0 322.497 2.151 20 30 DEEDRP CN(CCC[N@H+](C)Cc1cccc(C#N)c1F)CC[NH+](C)C ZINC000344013796 403844949 /nfs/dbraw/zinc/84/49/49/403844949.db2.gz CSNBCHONGVDZSQ-UHFFFAOYSA-N 2 0 306.429 2.013 20 30 DEEDRP C#Cc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000289339306 403917618 /nfs/dbraw/zinc/91/76/18/403917618.db2.gz VXTDQIKFSRZJDF-UHFFFAOYSA-N 2 0 320.440 2.105 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCC)CC1 ZINC000352822440 404647327 /nfs/dbraw/zinc/64/73/27/404647327.db2.gz YERBNIKRWDUKQM-QGZVFWFLSA-N 2 0 322.497 2.201 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000424129995 405016485 /nfs/dbraw/zinc/01/64/85/405016485.db2.gz DUVORUMPKNOXNH-ZIAGYGMSSA-N 2 0 320.462 2.022 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])C(C)C ZINC000417061751 405023560 /nfs/dbraw/zinc/02/35/60/405023560.db2.gz LETMOPGISFWKNZ-SJORKVTESA-N 2 0 322.497 2.208 20 30 DEEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000491795758 406725074 /nfs/dbraw/zinc/72/50/74/406725074.db2.gz XASCHDIKCCTHAA-UHFFFAOYSA-N 2 0 308.813 2.240 20 30 DEEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)NC1CCCCCC1 ZINC000261985426 225262503 /nfs/dbraw/zinc/26/25/03/225262503.db2.gz JQTGMFURVIQBAG-UHFFFAOYSA-N 2 0 322.497 2.259 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000264116535 225306538 /nfs/dbraw/zinc/30/65/38/225306538.db2.gz SWMULBYTTMZTMU-DOTOQJQBSA-N 2 0 318.465 2.071 20 30 DEEDRP C=CCCn1cc(CNCc2ccc(F)c(C[NH+](C)C)c2)nn1 ZINC000657362336 425315813 /nfs/dbraw/zinc/31/58/13/425315813.db2.gz AAJWNHUCUWBUTF-UHFFFAOYSA-N 2 0 317.412 2.345 20 30 DEEDRP C=CC[C@]1(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCC[NH2+]1 ZINC000662732282 425723820 /nfs/dbraw/zinc/72/38/20/425723820.db2.gz RFVPDNYOMWUKLF-GOSISDBHSA-N 2 0 319.424 2.202 20 30 DEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000349378094 278231664 /nfs/dbraw/zinc/23/16/64/278231664.db2.gz KZFDOKIHTPWFAI-GJZGRUSLSA-N 2 0 318.440 2.374 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2cccc(C[NH+]3CCCCCC3)c2)N1 ZINC000262643446 278819834 /nfs/dbraw/zinc/81/98/34/278819834.db2.gz IHVJJUDKIFTNFL-OAHLLOKOSA-N 2 0 300.450 2.500 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000074132533 341129580 /nfs/dbraw/zinc/12/95/80/341129580.db2.gz RJJKCRBOJJXWKC-KRWDZBQOSA-N 2 0 322.497 2.153 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001330022883 1149035991 /nfs/dbraw/zinc/03/59/91/1149035991.db2.gz VJLOZDRSKZGYRC-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C[NH+]=C(NCc1cccs1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262494968 526386697 /nfs/dbraw/zinc/38/66/97/526386697.db2.gz WCXAKICSAAQVFV-AWEZNQCLSA-N 2 0 306.479 2.384 20 30 DEEDRP C[NH+]=C(NCc1nc(C)cs1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262500404 526389791 /nfs/dbraw/zinc/38/97/91/526389791.db2.gz YDMBZJSXUAYMIW-AWEZNQCLSA-N 2 0 321.494 2.087 20 30 DEEDRP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262495466 526415442 /nfs/dbraw/zinc/41/54/42/526415442.db2.gz YDRRQMUNVVSCRI-CRAIPNDOSA-N 2 0 324.513 2.228 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000337638159 526590238 /nfs/dbraw/zinc/59/02/38/526590238.db2.gz DFDCDCKPHUOBMB-INIZCTEOSA-N 2 0 322.497 2.058 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000340120146 527648892 /nfs/dbraw/zinc/64/88/92/527648892.db2.gz HFABJPJUYCSELK-BRWVUGGUSA-N 2 0 307.482 2.319 20 30 DEEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000264101534 528173837 /nfs/dbraw/zinc/17/38/37/528173837.db2.gz OETOMVXGLQGJMA-HNNXBMFYSA-N 2 0 317.481 2.173 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261899600 529072864 /nfs/dbraw/zinc/07/28/64/529072864.db2.gz WJQPGYYNJKUZII-CHWSQXEVSA-N 2 0 302.413 2.201 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCC1(F)F ZINC000263025728 529073230 /nfs/dbraw/zinc/07/32/30/529073230.db2.gz AORJJXLOLYARNL-QWHCGFSZSA-N 2 0 302.413 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001379462010 1152628077 /nfs/dbraw/zinc/62/80/77/1152628077.db2.gz AFIJLFWZVFGPRI-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023633504 625363378 /nfs/dbraw/zinc/36/33/78/625363378.db2.gz ZGUYFFNOOHWBTK-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678320 625384405 /nfs/dbraw/zinc/38/44/05/625384405.db2.gz SKYDHZVQTVWWPL-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001020502105 622746035 /nfs/dbraw/zinc/74/60/35/622746035.db2.gz CILBHKVFFZYGAG-BFYDXBDKSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970450391 623457840 /nfs/dbraw/zinc/45/78/40/623457840.db2.gz BTRACVFSMXKWDG-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719257 623639341 /nfs/dbraw/zinc/63/93/41/623639341.db2.gz PGTXXMUDXQKVBJ-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970926621 623796254 /nfs/dbraw/zinc/79/62/54/623796254.db2.gz ADKCYIQFQDYVFA-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021736117 624018737 /nfs/dbraw/zinc/01/87/37/624018737.db2.gz KSDXQXVUIWUHKT-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971626790 624200882 /nfs/dbraw/zinc/20/08/82/624200882.db2.gz BDQCTIYHCJLVSB-CQSZACIVSA-N 2 0 307.463 2.142 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000891522505 624467450 /nfs/dbraw/zinc/46/74/50/624467450.db2.gz QYHDZTPXBVSQTF-GOSISDBHSA-N 2 0 322.497 2.043 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001022807706 624937442 /nfs/dbraw/zinc/93/74/42/624937442.db2.gz LPHWPSLUKJTSJM-SOUVJXGZSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007785308 625173006 /nfs/dbraw/zinc/17/30/06/625173006.db2.gz DLLCIQBVKRKWSA-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP CCOCCC1(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)CCCC1 ZINC000156935076 625176125 /nfs/dbraw/zinc/17/61/25/625176125.db2.gz DUHBOLAIYHBBQT-MRXNPFEDSA-N 2 0 324.513 2.362 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692535 634447005 /nfs/dbraw/zinc/44/70/05/634447005.db2.gz LLHYUFVTKUEAGF-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001026297585 625272823 /nfs/dbraw/zinc/27/28/23/625272823.db2.gz FTCAUFRMPCQNPJ-JCGIZDLHSA-N 2 0 324.428 2.269 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]12 ZINC001026301634 625279577 /nfs/dbraw/zinc/27/95/77/625279577.db2.gz BHSLTQZJVMDYHS-IXDOHACOSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999710814 634668483 /nfs/dbraw/zinc/66/84/83/634668483.db2.gz YCPGENSYOKJJCP-AWEZNQCLSA-N 2 0 318.808 2.281 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC1(C)C ZINC000996197961 633211650 /nfs/dbraw/zinc/21/16/50/633211650.db2.gz MJFFCUUCIZIVGN-OAHLLOKOSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000996602140 633301267 /nfs/dbraw/zinc/30/12/67/633301267.db2.gz DWWGKFLWMLYRGE-LSDHHAIUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000996924409 633526292 /nfs/dbraw/zinc/52/62/92/633526292.db2.gz VSXJSUFONVIJCI-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027469631 633841849 /nfs/dbraw/zinc/84/18/49/633841849.db2.gz GYVULKSZADQFCY-KRWDZBQOSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997729664 633953993 /nfs/dbraw/zinc/95/39/93/633953993.db2.gz QEXACESKNGETBW-ZOBUZTSGSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)C(C)(C)C1 ZINC000977383742 633965047 /nfs/dbraw/zinc/96/50/47/633965047.db2.gz FNFLLTOXXZFVTD-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519849 633973239 /nfs/dbraw/zinc/97/32/39/633973239.db2.gz XUPBHIQNONRRPO-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997874405 634017794 /nfs/dbraw/zinc/01/77/94/634017794.db2.gz LXMQCGWEMXGVKG-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027545750 634070953 /nfs/dbraw/zinc/07/09/53/634070953.db2.gz FGECYBJIJLKQMQ-INIZCTEOSA-N 2 0 319.449 2.454 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980144781 634862132 /nfs/dbraw/zinc/86/21/32/634862132.db2.gz BNEOYZGNCDMGPP-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001027944337 635031700 /nfs/dbraw/zinc/03/17/00/635031700.db2.gz VMEWECWUXVIWFV-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001000873888 635324101 /nfs/dbraw/zinc/32/41/01/635324101.db2.gz AQTJJUDAVKHRAV-UHFFFAOYSA-N 2 0 322.412 2.028 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000909013 635338836 /nfs/dbraw/zinc/33/88/36/635338836.db2.gz NCOFHGYLKWTHIF-UHFFFAOYSA-N 2 0 310.401 2.272 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001001010394 635378474 /nfs/dbraw/zinc/37/84/74/635378474.db2.gz TUYVVFHDOPBMHJ-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001000993026 635384814 /nfs/dbraw/zinc/38/48/14/635384814.db2.gz PLEZKUJMNPPFCJ-INIZCTEOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981269142 635416425 /nfs/dbraw/zinc/41/64/25/635416425.db2.gz UHPKFBVAWDHFIX-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000981461105 635491091 /nfs/dbraw/zinc/49/10/91/635491091.db2.gz ANKGAAZFRBDHML-GJZGRUSLSA-N 2 0 316.449 2.354 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001001466467 635501828 /nfs/dbraw/zinc/50/18/28/635501828.db2.gz HSUQHSGNEPVQMR-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001001467917 635503480 /nfs/dbraw/zinc/50/34/80/635503480.db2.gz OVOAQZDWWGOOOJ-UHFFFAOYSA-N 2 0 313.445 2.296 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981688461 635589741 /nfs/dbraw/zinc/58/97/41/635589741.db2.gz ZWVVSRCZKGXGJZ-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001002045592 635605090 /nfs/dbraw/zinc/60/50/90/635605090.db2.gz LTVUGTINHSGJCO-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001002160158 635629947 /nfs/dbraw/zinc/62/99/47/635629947.db2.gz UMRLRKYLUYOJLW-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981812184 635666596 /nfs/dbraw/zinc/66/65/96/635666596.db2.gz ILZOEULXQUVPFO-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001002813940 635805552 /nfs/dbraw/zinc/80/55/52/635805552.db2.gz AQQAZVRVRUAUOX-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375690 635944995 /nfs/dbraw/zinc/94/49/95/635944995.db2.gz UYWIMQJWNMLHLA-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000922389638 636144945 /nfs/dbraw/zinc/14/49/45/636144945.db2.gz VHSGNCRGIACEQZ-AKHDSKFASA-N 2 0 313.445 2.128 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573614 636351363 /nfs/dbraw/zinc/35/13/63/636351363.db2.gz SSSBSIWFFVQERE-ZDUSSCGKSA-N 2 0 307.463 2.047 20 30 DEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1ccccc1Cl ZINC000073762888 636459556 /nfs/dbraw/zinc/45/95/56/636459556.db2.gz KGHWTCKDCGKEKK-CYBMUJFWSA-N 2 0 308.857 2.299 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004546085 636483670 /nfs/dbraw/zinc/48/36/70/636483670.db2.gz GGMQXBLNJLEUIO-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005384271 636727757 /nfs/dbraw/zinc/72/77/57/636727757.db2.gz KZAIPKIKNSIODN-KRWDZBQOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001005478074 636746675 /nfs/dbraw/zinc/74/66/75/636746675.db2.gz VKOSIJMLSRWPSF-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001005999431 637064368 /nfs/dbraw/zinc/06/43/68/637064368.db2.gz XPQVGDMYSYOMMV-WBVHZDCISA-N 2 0 307.482 2.073 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006082903 637177816 /nfs/dbraw/zinc/17/78/16/637177816.db2.gz DITOKHFAUGGXEK-GOSISDBHSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001006277528 637317563 /nfs/dbraw/zinc/31/75/63/637317563.db2.gz GQLNVULZPMOJLX-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC000896650615 638623998 /nfs/dbraw/zinc/62/39/98/638623998.db2.gz JJWIEXJQTIIUDR-KRWDZBQOSA-N 2 0 313.449 2.171 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000987252270 640143195 /nfs/dbraw/zinc/14/31/95/640143195.db2.gz DSANPSOUIBMUBU-CABCVRRESA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000763974528 640591897 /nfs/dbraw/zinc/59/18/97/640591897.db2.gz ZXCHNEPPPYNBCW-UHFFFAOYSA-N 2 0 301.434 2.016 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000764425066 640635003 /nfs/dbraw/zinc/63/50/03/640635003.db2.gz QRULOQMZEHEMLF-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989564156 641146606 /nfs/dbraw/zinc/14/66/06/641146606.db2.gz ZLRUDTAVDUDIKD-RHSMWYFYSA-N 2 0 301.434 2.127 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989564155 641146733 /nfs/dbraw/zinc/14/67/33/641146733.db2.gz ZLRUDTAVDUDIKD-PBHICJAKSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000730064507 641448342 /nfs/dbraw/zinc/44/83/42/641448342.db2.gz FDXVVFXXGFMENN-INIZCTEOSA-N 2 0 322.497 2.201 20 30 DEEDRP CCO[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000926958877 641538060 /nfs/dbraw/zinc/53/80/60/641538060.db2.gz HXIDSRXMHRHKCY-SJLPKXTDSA-N 2 0 301.434 2.492 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000900019770 642239291 /nfs/dbraw/zinc/23/92/91/642239291.db2.gz IACDDPMBDRQGND-UHFFFAOYSA-N 2 0 315.461 2.407 20 30 DEEDRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000780557680 642641225 /nfs/dbraw/zinc/64/12/25/642641225.db2.gz AJHGXCILORHRIH-UHFFFAOYSA-N 2 0 310.401 2.183 20 30 DEEDRP COCC[N@@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]CC(C)C ZINC000912509175 646091117 /nfs/dbraw/zinc/09/11/17/646091117.db2.gz VUPYITJNGAMWDV-HNNXBMFYSA-N 2 0 312.502 2.087 20 30 DEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991501126 646432249 /nfs/dbraw/zinc/43/22/49/646432249.db2.gz GYZKNJCGKJUFFR-HKUYNNGSSA-N 2 0 322.412 2.003 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992282896 646927439 /nfs/dbraw/zinc/92/74/39/646927439.db2.gz JLQSFMRMBNFKOC-AEFFLSMTSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992432238 646998285 /nfs/dbraw/zinc/99/82/85/646998285.db2.gz PYICTJJDCUFTCC-AEFFLSMTSA-N 2 0 316.449 2.042 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992435913 647001172 /nfs/dbraw/zinc/00/11/72/647001172.db2.gz VQXUYPLWZHCRBC-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000992770137 647236781 /nfs/dbraw/zinc/23/67/81/647236781.db2.gz LYUCLHLANJIQGO-JCGIZDLHSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC000992859049 647308788 /nfs/dbraw/zinc/30/87/88/647308788.db2.gz LXZXRRCUXWCEEW-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993501613 647680842 /nfs/dbraw/zinc/68/08/42/647680842.db2.gz LVTWBRMXALJMLR-MAUKXSAKSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993534460 647692248 /nfs/dbraw/zinc/69/22/48/647692248.db2.gz YJANBJPHBWLIEM-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993681359 647724479 /nfs/dbraw/zinc/72/44/79/647724479.db2.gz GVCLJJRJYOFWAM-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994057683 647782541 /nfs/dbraw/zinc/78/25/41/647782541.db2.gz RFMSKCPTQNKJNQ-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)C(C)C ZINC000917069527 647963262 /nfs/dbraw/zinc/96/32/62/647963262.db2.gz RLGXNNKGSAPZOO-UHFFFAOYSA-N 2 0 315.461 2.227 20 30 DEEDRP C=CCCN1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000949012089 647981860 /nfs/dbraw/zinc/98/18/60/647981860.db2.gz NZQQTEGLYNGZDC-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941122714 649005053 /nfs/dbraw/zinc/00/50/53/649005053.db2.gz BWBUYOCJTJJAAD-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098933 649156828 /nfs/dbraw/zinc/15/68/28/649156828.db2.gz DHGQYFCXVOULQQ-DZGCQCFKSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555230 649246030 /nfs/dbraw/zinc/24/60/30/649246030.db2.gz GRZBPQHMOKXSHU-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755481 649422294 /nfs/dbraw/zinc/42/22/94/649422294.db2.gz FERHTXPVXGNSEY-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945092272 649611250 /nfs/dbraw/zinc/61/12/50/649611250.db2.gz QCZOEXONTYFAGN-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccccc1 ZINC000104156750 684058605 /nfs/dbraw/zinc/05/86/05/684058605.db2.gz LEAVGCIPOSMOAM-CQSZACIVSA-N 2 0 306.479 2.167 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143949 693860465 /nfs/dbraw/zinc/86/04/65/693860465.db2.gz MSRJETIHSBNMOV-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191938 693876130 /nfs/dbraw/zinc/87/61/30/693876130.db2.gz PDTRJKYTAOWKLH-MJGOQNOKSA-N 2 0 321.509 2.463 20 30 DEEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])NCC(C)C)cc1 ZINC000303872581 685236211 /nfs/dbraw/zinc/23/62/11/685236211.db2.gz CCCQFMVZRDGIGZ-UHFFFAOYSA-N 2 0 320.481 2.468 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cc(C)cc(C)c1 ZINC000303873841 685236341 /nfs/dbraw/zinc/23/63/41/685236341.db2.gz GXNAPLUWLFBWQD-INIZCTEOSA-N 2 0 318.465 2.071 20 30 DEEDRP CN(C)C(NCc1ccccc1)=[NH+]CCC1CC[NH+](C)CC1 ZINC000303905486 685239799 /nfs/dbraw/zinc/23/97/99/685239799.db2.gz ZLMUORYBNDTKHM-UHFFFAOYSA-N 2 0 302.466 2.426 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000303909305 685240271 /nfs/dbraw/zinc/24/02/71/685240271.db2.gz YCBJOHZHLWKVNX-IAGOWNOFSA-N 2 0 314.477 2.495 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000929779540 694026150 /nfs/dbraw/zinc/02/61/50/694026150.db2.gz BFCLDBUSKGWOMQ-MAUKXSAKSA-N 2 0 313.445 2.411 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001015978278 687489416 /nfs/dbraw/zinc/48/94/16/687489416.db2.gz YNVNLJIMDJYUJC-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016542674 687648524 /nfs/dbraw/zinc/64/85/24/687648524.db2.gz IVYBNTYUELXYJJ-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016542672 687648746 /nfs/dbraw/zinc/64/87/46/687648746.db2.gz IVYBNTYUELXYJJ-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761543 687697243 /nfs/dbraw/zinc/69/72/43/687697243.db2.gz MPVSCYQJWFUVQJ-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016863987 687721790 /nfs/dbraw/zinc/72/17/90/687721790.db2.gz YIKRPVXFUBUGFT-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001017834938 687969101 /nfs/dbraw/zinc/96/91/01/687969101.db2.gz AZUQQQZLAHKNFM-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031873909 689012280 /nfs/dbraw/zinc/01/22/80/689012280.db2.gz DUXDQDFVFILFFX-UHFFFAOYSA-N 2 0 315.461 2.028 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032799770 689263798 /nfs/dbraw/zinc/26/37/98/689263798.db2.gz LJYYTCIWTFUYGF-ROUUACIJSA-N 2 0 313.445 2.223 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143968 689402891 /nfs/dbraw/zinc/40/28/91/689402891.db2.gz OWFYUEAVGVXQIJ-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298027 689453345 /nfs/dbraw/zinc/45/33/45/689453345.db2.gz YEVGHXVHDMBAFT-KRWDZBQOSA-N 2 0 315.461 2.123 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466009 689510907 /nfs/dbraw/zinc/51/09/07/689510907.db2.gz BNUVRYXPRKKONL-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470658 689513104 /nfs/dbraw/zinc/51/31/04/689513104.db2.gz BYKXTXCPIVKIMN-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204704 689761941 /nfs/dbraw/zinc/76/19/41/689761941.db2.gz PGFAGKGBDDVCGF-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397739 689836311 /nfs/dbraw/zinc/83/63/11/689836311.db2.gz LCKGMJUCXVNTPS-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001034427477 689845759 /nfs/dbraw/zinc/84/57/59/689845759.db2.gz YIUYRCXLFAJXDH-INIZCTEOSA-N 2 0 316.449 2.001 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000876714102 689912520 /nfs/dbraw/zinc/91/25/20/689912520.db2.gz WQAIQSHPWCRWOG-CYBMUJFWSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034724919 689934647 /nfs/dbraw/zinc/93/46/47/689934647.db2.gz XIISUUFVLDJKJX-SHTZXODSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001034795872 689949726 /nfs/dbraw/zinc/94/97/26/689949726.db2.gz WNRDEBNKZMCMKJ-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000876913984 689971739 /nfs/dbraw/zinc/97/17/39/689971739.db2.gz AOQUXEYVLAVUPV-JTQLQIEISA-N 2 0 314.842 2.019 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035194230 690056146 /nfs/dbraw/zinc/05/61/46/690056146.db2.gz WSLIKWURXQMMBS-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035194260 690056604 /nfs/dbraw/zinc/05/66/04/690056604.db2.gz XYAOPHSCSBHVMD-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035256920 690076004 /nfs/dbraw/zinc/07/60/04/690076004.db2.gz ORLYSWCIDQDOIW-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001036055656 690248123 /nfs/dbraw/zinc/24/81/23/690248123.db2.gz QQZCDBMFKSOWTC-JSGCOSHPSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001036306752 690316040 /nfs/dbraw/zinc/31/60/40/690316040.db2.gz YMDQEUCDJZQORH-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036716533 690443244 /nfs/dbraw/zinc/44/32/44/690443244.db2.gz HLEIMENLWLUHAZ-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755301 690459999 /nfs/dbraw/zinc/45/99/99/690459999.db2.gz UEJPCLLRLOGEIJ-QAPCUYQASA-N 2 0 324.428 2.365 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759752 690461633 /nfs/dbraw/zinc/46/16/33/690461633.db2.gz QBUUGULORGKCKH-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037929153 690642655 /nfs/dbraw/zinc/64/26/55/690642655.db2.gz GJKIRTPXYDZGQJ-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038246088 690755359 /nfs/dbraw/zinc/75/53/59/690755359.db2.gz BOPGUIASWQRGFG-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038554551 690855373 /nfs/dbraw/zinc/85/53/73/690855373.db2.gz GOUCUBSBNDEESM-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039116091 691024155 /nfs/dbraw/zinc/02/41/55/691024155.db2.gz QLYFZTQBXNSLQD-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039284873 691074866 /nfs/dbraw/zinc/07/48/66/691074866.db2.gz JMSDDKKJNPQZQX-ALOPSCKCSA-N 2 0 322.412 2.083 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039470437 691114063 /nfs/dbraw/zinc/11/40/63/691114063.db2.gz AZFXDFQXBQHPBZ-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040251357 691221056 /nfs/dbraw/zinc/22/10/56/691221056.db2.gz XHMXGFNDGYNCNT-PKOBYXMFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001040761350 691285559 /nfs/dbraw/zinc/28/55/59/691285559.db2.gz UMZZDAQJUCEHFZ-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041342131 691364056 /nfs/dbraw/zinc/36/40/56/691364056.db2.gz COWCVYCYCHITOE-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041588900 691398231 /nfs/dbraw/zinc/39/82/31/691398231.db2.gz ZVFYLEUYSBESJN-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598768 691398782 /nfs/dbraw/zinc/39/87/82/691398782.db2.gz CFHFNXDQBSSOKV-LNLFQRSKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000883172458 691447896 /nfs/dbraw/zinc/44/78/96/691447896.db2.gz HNZKKNIZYLWYPO-FGTMMUONSA-N 2 0 309.498 2.116 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001044794649 691888472 /nfs/dbraw/zinc/88/84/72/691888472.db2.gz XNPJTVQISSKEKJ-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045491438 691988398 /nfs/dbraw/zinc/98/83/98/691988398.db2.gz XFEIKACZIYTBLI-UHFFFAOYSA-N 2 0 324.428 2.250 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001045492271 691988785 /nfs/dbraw/zinc/98/87/85/691988785.db2.gz DRKGIDNJHMCTHT-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)CC1(C#N)CCC1)CC2 ZINC000886305482 692050367 /nfs/dbraw/zinc/05/03/67/692050367.db2.gz IJSMUTPRCASTTJ-INIZCTEOSA-N 2 0 305.466 2.239 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001048510582 692634871 /nfs/dbraw/zinc/63/48/71/692634871.db2.gz ONBLTIFQTUUDAE-YVSFHVDLSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049535939 692915338 /nfs/dbraw/zinc/91/53/38/692915338.db2.gz LEUQRJONYWFYRV-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049717295 692973890 /nfs/dbraw/zinc/97/38/90/692973890.db2.gz HYBYTWRSQRSYPS-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cnc1C ZINC001049867817 693030799 /nfs/dbraw/zinc/03/07/99/693030799.db2.gz PRKIDJKEIMJUMS-DLBZAZTESA-N 2 0 316.449 2.292 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157391 693124275 /nfs/dbraw/zinc/12/42/75/693124275.db2.gz DDCNVOVAIQVMSD-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050566696 693208200 /nfs/dbraw/zinc/20/82/00/693208200.db2.gz VXWVRRYXRTZRDQ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001050707940 693235339 /nfs/dbraw/zinc/23/53/39/693235339.db2.gz KCZWKXYYZADQKG-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)CC2)c1 ZINC000925702138 693326443 /nfs/dbraw/zinc/32/64/43/693326443.db2.gz LZLITPOYJWDAFP-MOPGFXCFSA-N 2 0 324.472 2.382 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)CC2)c1 ZINC000925702141 693326842 /nfs/dbraw/zinc/32/68/42/693326842.db2.gz LZLITPOYJWDAFP-RTBURBONSA-N 2 0 324.472 2.382 20 30 DEEDRP CC1(C)[NH2+]CC[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000925704493 693327297 /nfs/dbraw/zinc/32/72/97/693327297.db2.gz XNBLOCHFZNGNHH-SFHVURJKSA-N 2 0 312.461 2.253 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@H](CCC[NH3+])c2ccccc2)nc1 ZINC000925892673 693360913 /nfs/dbraw/zinc/36/09/13/693360913.db2.gz DGPIIPDHWHTRGM-QGZVFWFLSA-N 2 0 309.417 2.435 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513726 693554235 /nfs/dbraw/zinc/55/42/35/693554235.db2.gz INKQYEHTXIGZNT-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052516819 693555234 /nfs/dbraw/zinc/55/52/34/693555234.db2.gz RPZWLBRUDLPTJC-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764686 693614507 /nfs/dbraw/zinc/61/45/07/693614507.db2.gz QRUYOFNGLMNEJV-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052859270 693634580 /nfs/dbraw/zinc/63/45/80/693634580.db2.gz KRDAKAYAQCYJAS-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001332149082 1149826002 /nfs/dbraw/zinc/82/60/02/1149826002.db2.gz SWKJAEDNUGUHIR-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001332736102 1149886201 /nfs/dbraw/zinc/88/62/01/1149886201.db2.gz WCVRDHQBNOBKAK-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001479893859 1151113116 /nfs/dbraw/zinc/11/31/16/1151113116.db2.gz YWMDVDDRBOSZKX-AWEZNQCLSA-N 2 0 304.438 2.087 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001379562214 1152643417 /nfs/dbraw/zinc/64/34/17/1152643417.db2.gz DJWDVPNCTKGCKG-ZDUSSCGKSA-N 2 0 309.841 2.209 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001381343987 1153012131 /nfs/dbraw/zinc/01/21/31/1153012131.db2.gz VSNKBDMHGRKACH-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001382315222 1153420703 /nfs/dbraw/zinc/42/07/03/1153420703.db2.gz WHLXHDWQDUUFCP-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392149557 1156876512 /nfs/dbraw/zinc/87/65/12/1156876512.db2.gz HECMWJNXCFRIJV-QLFBSQMISA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001392197052 1156888130 /nfs/dbraw/zinc/88/81/30/1156888130.db2.gz VDZGLTXMCWDRLP-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001394510690 1158599845 /nfs/dbraw/zinc/59/98/45/1158599845.db2.gz MOSKBBBSHWJUPD-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001376790267 1159800809 /nfs/dbraw/zinc/80/08/09/1159800809.db2.gz VEXQBMBYCRFYGK-CQSZACIVSA-N 2 0 323.868 2.251 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001400910647 1161844971 /nfs/dbraw/zinc/84/49/71/1161844971.db2.gz HBMLNLZZWSXZOQ-UHFFFAOYSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001401872344 1162161826 /nfs/dbraw/zinc/16/18/26/1162161826.db2.gz ODXULKNKBXBGKY-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001405969319 1164363426 /nfs/dbraw/zinc/36/34/26/1164363426.db2.gz MIWFHAGTTJKWJU-DZGCQCFKSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001406992814 1164910634 /nfs/dbraw/zinc/91/06/34/1164910634.db2.gz HIPMAUTYRGWMKH-UHFFFAOYSA-N 2 0 313.873 2.243 20 30 DEEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001418947006 1168087946 /nfs/dbraw/zinc/08/79/46/1168087946.db2.gz DOLPMUQATHMDAN-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001419937206 1168962321 /nfs/dbraw/zinc/96/23/21/1168962321.db2.gz SKHBWXQRQACHCI-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001424210711 1173701623 /nfs/dbraw/zinc/70/16/23/1173701623.db2.gz LPWLNRSJFCYGEH-KBPBESRZSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001438299374 1180329386 /nfs/dbraw/zinc/32/93/86/1180329386.db2.gz JRTAKSVWQYREQX-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001440394355 1181477515 /nfs/dbraw/zinc/47/75/15/1181477515.db2.gz DWOZFRZDUHOIGM-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001441850203 1182214307 /nfs/dbraw/zinc/21/43/07/1182214307.db2.gz AHHXETNOROANMB-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001447965847 1184981187 /nfs/dbraw/zinc/98/11/87/1184981187.db2.gz SBJHGXBALBEKPF-UHFFFAOYSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001332409697 1149857725 /nfs/dbraw/zinc/85/77/25/1149857725.db2.gz OFIYTOSHLWNVCW-SJORKVTESA-N 2 0 319.424 2.195 20 30 DEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225189 782701089 /nfs/dbraw/zinc/70/10/89/782701089.db2.gz OALOJFDSRKUSCM-DLBZAZTESA-N 2 0 321.509 2.203 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588177 782798259 /nfs/dbraw/zinc/79/82/59/782798259.db2.gz IYZVGRYRDIYIOB-GDBMZVCRSA-N 2 0 319.449 2.215 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728567 782891644 /nfs/dbraw/zinc/89/16/44/782891644.db2.gz JWPPBEWNMJYMSY-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106783068 782932768 /nfs/dbraw/zinc/93/27/68/782932768.db2.gz GFGHBGFLJAESMJ-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419420 783086383 /nfs/dbraw/zinc/08/63/83/783086383.db2.gz GDBWDJTXCLMNJS-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493458 783158645 /nfs/dbraw/zinc/15/86/45/783158645.db2.gz XBEFTUNHICGCHD-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538782 783193022 /nfs/dbraw/zinc/19/30/22/783193022.db2.gz FZMALIMAULKBAS-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563346 783212029 /nfs/dbraw/zinc/21/20/29/783212029.db2.gz QGVXSLZORAYUOW-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385651 776980083 /nfs/dbraw/zinc/98/00/83/776980083.db2.gz MJTYTQGDNHWYQJ-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425505 777018597 /nfs/dbraw/zinc/01/85/97/777018597.db2.gz GYLLULXTHGLRSG-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425120 777018862 /nfs/dbraw/zinc/01/88/62/777018862.db2.gz CALQPJAPUMJUQN-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001100599509 777389474 /nfs/dbraw/zinc/38/94/74/777389474.db2.gz ZTSWCPHESVXURS-AQFXKWCLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986883 777923460 /nfs/dbraw/zinc/92/34/60/777923460.db2.gz FIUZMIUECORYSB-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009574 777984730 /nfs/dbraw/zinc/98/47/30/777984730.db2.gz JNFCZQQNQUWVMO-WMZOPIPTSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602681 779373804 /nfs/dbraw/zinc/37/38/04/779373804.db2.gz ZUBCQNKNIHKKLB-OKZBNKHCSA-N 2 0 319.493 2.242 20 30 DEEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203426396 780120067 /nfs/dbraw/zinc/12/00/67/780120067.db2.gz JPYIKCKIVLORMH-HZPDHXFCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168148063 780260555 /nfs/dbraw/zinc/26/05/55/780260555.db2.gz YWDDWQFGKWNNHG-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001105544262 780747382 /nfs/dbraw/zinc/74/73/82/780747382.db2.gz FYGCRGVDSCAWBR-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001091057915 790872895 /nfs/dbraw/zinc/87/28/95/790872895.db2.gz GNZSADUMJSMAIX-YMAMQOFZSA-N 2 0 313.873 2.098 20 30 DEEDRP C[C@H](Cc1cccc(C#N)c1)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001171190030 790926194 /nfs/dbraw/zinc/92/61/94/790926194.db2.gz OTXVBICKDSNISF-SNVBAGLBSA-N 2 0 321.475 2.374 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)[C@H](C)C2)CC1 ZINC000948069522 783311501 /nfs/dbraw/zinc/31/15/01/783311501.db2.gz IGUWHHNCPUSZIU-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948244722 783391428 /nfs/dbraw/zinc/39/14/28/783391428.db2.gz IYSIAIMGCJTLDE-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966102528 783563039 /nfs/dbraw/zinc/56/30/39/783563039.db2.gz JBJFREMEILSXFN-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090408 783881306 /nfs/dbraw/zinc/88/13/06/783881306.db2.gz TYSJRWMITIOIJU-RDTXWAMCSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205552 783906141 /nfs/dbraw/zinc/90/61/41/783906141.db2.gz LFRSVFKDCAHSSE-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668884 783943403 /nfs/dbraw/zinc/94/34/03/783943403.db2.gz MUIDLXTVPHUENJ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967376730 783970884 /nfs/dbraw/zinc/97/08/84/783970884.db2.gz JUUKDEGOHUJSJO-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901800 784193862 /nfs/dbraw/zinc/19/38/62/784193862.db2.gz NHFWOEIAPDEUHT-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330510 784293494 /nfs/dbraw/zinc/29/34/94/784293494.db2.gz AAYWSXCKCKOBDZ-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968497966 784426654 /nfs/dbraw/zinc/42/66/54/784426654.db2.gz UILZXIHMKMQPNN-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171235083 791078941 /nfs/dbraw/zinc/07/89/41/791078941.db2.gz DMAAQHBBLKKYON-QZTJIDSGSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008052745 785092686 /nfs/dbraw/zinc/09/26/86/785092686.db2.gz OPCKOOMASSXALS-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008771701 785299994 /nfs/dbraw/zinc/29/99/94/785299994.db2.gz UXPPYBNRZBGZLU-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247580 791122609 /nfs/dbraw/zinc/12/26/09/791122609.db2.gz MKYSYJCVSCUEQI-DZGCQCFKSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586253 786165228 /nfs/dbraw/zinc/16/52/28/786165228.db2.gz POYFLCGUMAQWSU-WMZOPIPTSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112960490 786329497 /nfs/dbraw/zinc/32/94/97/786329497.db2.gz MGXHTZWYINFRKT-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001113055273 786385819 /nfs/dbraw/zinc/38/58/19/786385819.db2.gz ROOQVXAGFIYSBJ-UHFFFAOYSA-N 2 0 312.417 2.367 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731177 786730353 /nfs/dbraw/zinc/73/03/53/786730353.db2.gz ZNVYYYWKUZJBFO-DOTOQJQBSA-N 2 0 305.466 2.160 20 30 DEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC001130491220 787405728 /nfs/dbraw/zinc/40/57/28/787405728.db2.gz NXMRADTUGLHHBN-HNNXBMFYSA-N 2 0 320.481 2.499 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029667 787453269 /nfs/dbraw/zinc/45/32/69/787453269.db2.gz LKHJBQVOCKTOJM-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104192 787506862 /nfs/dbraw/zinc/50/68/62/787506862.db2.gz FJYAAOUYFCIKDT-IKGGRYGDSA-N 2 0 305.466 2.016 20 30 DEEDRP 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 1149228966 /nfs/dbraw/zinc/22/89/66/1149228966.db2.gz XRXQRQKFOUPXBG-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141217 787945961 /nfs/dbraw/zinc/94/59/61/787945961.db2.gz PRDBQICFLSYNDC-JKSUJKDBSA-N 2 0 316.449 2.063 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133222341 788321343 /nfs/dbraw/zinc/32/13/43/788321343.db2.gz ODSFYGHLTSAZQI-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133313727 788365428 /nfs/dbraw/zinc/36/54/28/788365428.db2.gz JNRVBYKPZUANPA-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772728 789074118 /nfs/dbraw/zinc/07/41/18/789074118.db2.gz HFHUNYSTUFFEEH-STQMWFEESA-N 2 0 303.878 2.342 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790803 789087378 /nfs/dbraw/zinc/08/73/78/789087378.db2.gz ITZMMFQDOUXUIS-GJZGRUSLSA-N 2 0 307.482 2.146 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676019 789443247 /nfs/dbraw/zinc/44/32/47/789443247.db2.gz OREGETWSOXDIFK-LSDHHAIUSA-N 2 0 303.450 2.421 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944302 789569770 /nfs/dbraw/zinc/56/97/70/789569770.db2.gz IHPVXOBSVWCWPZ-KBPBESRZSA-N 2 0 304.438 2.210 20 30 DEEDRP C/C(=N\[S@](=O)C(C)(C)C)c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170902054 789646426 /nfs/dbraw/zinc/64/64/26/789646426.db2.gz AMBFKCAWNMSOJT-MEHDKVOKSA-N 2 0 324.494 2.393 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071650889 789841787 /nfs/dbraw/zinc/84/17/87/789841787.db2.gz DWJIUIMCUARLJF-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC2CC2)CC1 ZINC001146610941 791322902 /nfs/dbraw/zinc/32/29/02/791322902.db2.gz LBXFCNJDYFSERX-HOTGVXAUSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCC)CC1 ZINC001146614612 791323860 /nfs/dbraw/zinc/32/38/60/791323860.db2.gz ZATWKJJADDXXMT-IRXDYDNUSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541853 791565179 /nfs/dbraw/zinc/56/51/79/791565179.db2.gz ZLLFPXCCRHSMPP-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147772772 791611812 /nfs/dbraw/zinc/61/18/12/791611812.db2.gz CKRVGZLGTLPRBE-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147846593 791638000 /nfs/dbraw/zinc/63/80/00/791638000.db2.gz FRMHFVAWRIOPQV-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330144 791741394 /nfs/dbraw/zinc/74/13/94/791741394.db2.gz RRPSENNTTAAHFI-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469063 791750891 /nfs/dbraw/zinc/75/08/91/791750891.db2.gz BDCHCLKTHVDFEA-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943350 791858008 /nfs/dbraw/zinc/85/80/08/791858008.db2.gz RQOHASGZKTXOED-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303150 791973339 /nfs/dbraw/zinc/97/33/39/791973339.db2.gz VEKDCVCQHHJWMT-LMMKCTJWSA-N 2 0 319.493 2.073 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130716 792108759 /nfs/dbraw/zinc/10/87/59/792108759.db2.gz QMVMPFMRWTZCLK-INIZCTEOSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092918454 792159439 /nfs/dbraw/zinc/15/94/39/792159439.db2.gz HCRKBXNMUYLUKY-GDBMZVCRSA-N 2 0 319.449 2.215 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093226112 792296211 /nfs/dbraw/zinc/29/62/11/792296211.db2.gz VLXZAPAIOWRASW-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001100875907 792891100 /nfs/dbraw/zinc/89/11/00/792891100.db2.gz AZPJECSVBIOUGK-UHFFFAOYSA-N 2 0 316.449 2.212 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560169 792979612 /nfs/dbraw/zinc/97/96/12/792979612.db2.gz MWZPDMRZBCDKES-SJLPKXTDSA-N 2 0 317.477 2.019 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345225 793130642 /nfs/dbraw/zinc/13/06/42/793130642.db2.gz ZVBBDKIQEKHNIW-LMMKCTJWSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435324 793159414 /nfs/dbraw/zinc/15/94/14/793159414.db2.gz JFTLQBWZAXKCQY-MJGOQNOKSA-N 2 0 321.509 2.465 20 30 DEEDRP C[C@@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171739282 793206723 /nfs/dbraw/zinc/20/67/23/793206723.db2.gz BIKUUQOOSFGABQ-SJLPKXTDSA-N 2 0 312.461 2.227 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337740 793273725 /nfs/dbraw/zinc/27/37/25/793273725.db2.gz SBSXVWYVJRZFAN-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103088427 793935786 /nfs/dbraw/zinc/93/57/86/793935786.db2.gz AMTCGXSHHLGIGA-NXHRZFHOSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174962089 794111948 /nfs/dbraw/zinc/11/19/48/794111948.db2.gz PORWVRYBDQNINL-AWEZNQCLSA-N 2 0 303.878 2.345 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550407 794141129 /nfs/dbraw/zinc/14/11/29/794141129.db2.gz ODPOFFYQLKZJAY-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175968309 794321838 /nfs/dbraw/zinc/32/18/38/794321838.db2.gz ZKXUSWXOUHJVIH-INIZCTEOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001112399485 794622557 /nfs/dbraw/zinc/62/25/57/794622557.db2.gz WDGPFBQEEGTZGZ-SCTDSRPQSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cnc1C ZINC001177468716 794672831 /nfs/dbraw/zinc/67/28/31/794672831.db2.gz IWIAUVUORUPLOT-UHFFFAOYSA-N 2 0 318.465 2.445 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115562747 794823146 /nfs/dbraw/zinc/82/31/46/794823146.db2.gz IQIFLNSNPNQMDZ-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502344 794935982 /nfs/dbraw/zinc/93/59/82/794935982.db2.gz MJHOJQRYPGHMLL-KRWDZBQOSA-N 2 0 307.482 2.171 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026039 795046892 /nfs/dbraw/zinc/04/68/92/795046892.db2.gz IDFGQQSUWLYTMF-UHFFFAOYSA-N 2 0 312.417 2.237 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001179133856 795067096 /nfs/dbraw/zinc/06/70/96/795067096.db2.gz CIMSEKIEAWSXOC-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179964621 795221576 /nfs/dbraw/zinc/22/15/76/795221576.db2.gz CBZAFLJRGGVDDS-UHFFFAOYSA-N 2 0 321.509 2.396 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180353044 795280567 /nfs/dbraw/zinc/28/05/67/795280567.db2.gz ZBBVARWLUCPFCV-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001120004766 795387146 /nfs/dbraw/zinc/38/71/46/795387146.db2.gz HBVUGXGDTPIRJT-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C[NH+]1CCC(CC[NH+]=C(NC[C@H]2CCCO2)NC(C)(C)C)CC1 ZINC001120550164 795482746 /nfs/dbraw/zinc/48/27/46/795482746.db2.gz XJCATUOFOMWHNG-MRXNPFEDSA-N 2 0 324.513 2.231 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001121974239 795711279 /nfs/dbraw/zinc/71/12/79/795711279.db2.gz GZWVGAZPGVCRFA-IRXDYDNUSA-N 2 0 319.449 2.098 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614141 795721793 /nfs/dbraw/zinc/72/17/93/795721793.db2.gz CBOCNOVSDUBBOA-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001183085523 795797709 /nfs/dbraw/zinc/79/77/09/795797709.db2.gz BAAIYTIASHKSJI-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184565554 796084418 /nfs/dbraw/zinc/08/44/18/796084418.db2.gz JWEVRUDNGTYOGI-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184584683 796088033 /nfs/dbraw/zinc/08/80/33/796088033.db2.gz GJTKHJHOYCBECC-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184734880 796118046 /nfs/dbraw/zinc/11/80/46/796118046.db2.gz LWYCTGVLXYZAIV-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185053779 796170981 /nfs/dbraw/zinc/17/09/81/796170981.db2.gz VIXZOBFTRAWVCD-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185261709 796224223 /nfs/dbraw/zinc/22/42/23/796224223.db2.gz XKTHPHOHGBAEAS-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1C ZINC001185316929 796228144 /nfs/dbraw/zinc/22/81/44/796228144.db2.gz KVCCPHQZFDPJID-ROUUACIJSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203043781 796533499 /nfs/dbraw/zinc/53/34/99/796533499.db2.gz FGORXZBKRXRUCE-IAGOWNOFSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203116076 796704085 /nfs/dbraw/zinc/70/40/85/796704085.db2.gz WZNBSTDDMYUFGT-HOTGVXAUSA-N 2 0 317.477 2.208 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420436 796755932 /nfs/dbraw/zinc/75/59/32/796755932.db2.gz UHMWYNLPDDDVJG-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190484730 797009685 /nfs/dbraw/zinc/00/96/85/797009685.db2.gz WYUWMNQSRGGURU-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543454 797220133 /nfs/dbraw/zinc/22/01/33/797220133.db2.gz MVLOPANNDOUXPN-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266361 797702524 /nfs/dbraw/zinc/70/25/24/797702524.db2.gz QBTVRENUFYPQFR-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838911 797861543 /nfs/dbraw/zinc/86/15/43/797861543.db2.gz HFKCRZFUQWYAKD-MRXNPFEDSA-N 2 0 315.461 2.212 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001195652674 797940387 /nfs/dbraw/zinc/94/03/87/797940387.db2.gz SZKAPUYQVVKHPA-HNNXBMFYSA-N 2 0 304.438 2.231 20 30 DEEDRP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196023854 797995425 /nfs/dbraw/zinc/99/54/25/797995425.db2.gz DGQLTNBJMDMFHP-INIZCTEOSA-N 2 0 313.461 2.167 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197817898 798247765 /nfs/dbraw/zinc/24/77/65/798247765.db2.gz SXRGUJSCGSEPQR-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCCC)CC2)CC1 ZINC001198236428 798301453 /nfs/dbraw/zinc/30/14/53/798301453.db2.gz LAKPZFWJZRXHPM-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203315846 798324591 /nfs/dbraw/zinc/32/45/91/798324591.db2.gz BPDFUYHBZBKSBC-JKSUJKDBSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001158031786 798330384 /nfs/dbraw/zinc/33/03/84/798330384.db2.gz OHESSXQWSZRRNZ-ROUUACIJSA-N 2 0 305.466 2.067 20 30 DEEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001158031787 798330501 /nfs/dbraw/zinc/33/05/01/798330501.db2.gz OHESSXQWSZRRNZ-ZWKOTPCHSA-N 2 0 305.466 2.067 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289391 798376883 /nfs/dbraw/zinc/37/68/83/798376883.db2.gz GRZZUOGOPUGFQR-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907856 798623980 /nfs/dbraw/zinc/62/39/80/798623980.db2.gz DPVOSEBOTAZKCG-QGZVFWFLSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577744 798652148 /nfs/dbraw/zinc/65/21/48/798652148.db2.gz FSVSSFFNZLYLDI-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP N#Cc1c(Nc2cccc(CC[NH3+])c2)ncc2c1CCC[NH2+]C2 ZINC001161078579 798792627 /nfs/dbraw/zinc/79/26/27/798792627.db2.gz QCKRHIDCYCWGOU-UHFFFAOYSA-N 2 0 307.401 2.234 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161084875 798793411 /nfs/dbraw/zinc/79/34/11/798793411.db2.gz UXVOAWNOBCIQCG-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP CCCCCCCCCCN(C)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161221497 798812447 /nfs/dbraw/zinc/81/24/47/798812447.db2.gz SCXKXNGLBRZREZ-INIZCTEOSA-N 2 0 309.498 2.395 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001202197354 798840834 /nfs/dbraw/zinc/84/08/34/798840834.db2.gz OYMSZRILJZQCQQ-UHFFFAOYSA-N 2 0 305.422 2.112 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161953351 798978692 /nfs/dbraw/zinc/97/86/92/798978692.db2.gz SYRCOQQISXDODD-GOSISDBHSA-N 2 0 317.477 2.023 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115001421 799080882 /nfs/dbraw/zinc/08/08/82/799080882.db2.gz XVXRWGXDVYSXOK-VQFNDLOPSA-N 2 0 309.498 2.345 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163821760 799440572 /nfs/dbraw/zinc/44/05/72/799440572.db2.gz OZSJGJQBFFONFL-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163821758 799440771 /nfs/dbraw/zinc/44/07/71/799440771.db2.gz OZSJGJQBFFONFL-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531182 799617556 /nfs/dbraw/zinc/61/75/56/799617556.db2.gz AQRBSZKSNQBYDQ-IRXDYDNUSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531828 799618179 /nfs/dbraw/zinc/61/81/79/799618179.db2.gz UCVBXCASJLNBFT-IAGOWNOFSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569370 799747165 /nfs/dbraw/zinc/74/71/65/799747165.db2.gz XYAUQOIQBKXPCJ-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166686996 799921479 /nfs/dbraw/zinc/92/14/79/799921479.db2.gz GMOAZWOQYPSZGC-KRWDZBQOSA-N 2 0 313.461 2.261 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793799 799951728 /nfs/dbraw/zinc/95/17/28/799951728.db2.gz ZPCQBRAXXOATKF-KRWDZBQOSA-N 2 0 319.493 2.008 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770486 800120408 /nfs/dbraw/zinc/12/04/08/800120408.db2.gz GQSVCJRMJIFBBK-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205241384 800327923 /nfs/dbraw/zinc/32/79/23/800327923.db2.gz CMISMUNWVMNWEX-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001205763514 800415758 /nfs/dbraw/zinc/41/57/58/800415758.db2.gz SFJUXJOJJLLDRH-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628849 800568374 /nfs/dbraw/zinc/56/83/74/800568374.db2.gz XGDCINVRIMZOIU-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207396369 800743465 /nfs/dbraw/zinc/74/34/65/800743465.db2.gz GWFZQCKWMFBPSV-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111234013 800885809 /nfs/dbraw/zinc/88/58/09/800885809.db2.gz ZOQNGUCFLIUIAS-HZMVEIRTSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208358782 800965377 /nfs/dbraw/zinc/96/53/77/800965377.db2.gz NFZHCQQOFNOJBD-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498468 800996769 /nfs/dbraw/zinc/99/67/69/800996769.db2.gz QTNYFECLGUDFET-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208609824 801029715 /nfs/dbraw/zinc/02/97/15/801029715.db2.gz NFRDJYXVQQSYMB-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208646171 801042018 /nfs/dbraw/zinc/04/20/18/801042018.db2.gz FYLWDIPKONUFAA-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001229469076 801281682 /nfs/dbraw/zinc/28/16/82/801281682.db2.gz OWKRJPPTKSJHPP-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP Cc1cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnc1C#N ZINC001210202773 801350849 /nfs/dbraw/zinc/35/08/49/801350849.db2.gz QSQKNVJTCYQPIP-UHFFFAOYSA-N 2 0 308.389 2.152 20 30 DEEDRP CC(C)(C#N)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cn1 ZINC001210262462 801360627 /nfs/dbraw/zinc/36/06/27/801360627.db2.gz GJTPCAMMWBSIRV-UHFFFAOYSA-N 2 0 322.416 2.431 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001230334038 801389570 /nfs/dbraw/zinc/38/95/70/801389570.db2.gz DJIWPMGRLCSHDF-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378013 801394861 /nfs/dbraw/zinc/39/48/61/801394861.db2.gz IBNOODMGULYFEK-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210634770 801436407 /nfs/dbraw/zinc/43/64/07/801436407.db2.gz SWHCICZGGHUAQU-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684980 801446788 /nfs/dbraw/zinc/44/67/88/801446788.db2.gz KUMYUVLINRAKPC-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211228870 801533813 /nfs/dbraw/zinc/53/38/13/801533813.db2.gz KUILAQAYWCFGCK-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000303791374 801757989 /nfs/dbraw/zinc/75/79/89/801757989.db2.gz XKWCYOURBYBTHL-MRXNPFEDSA-N 2 0 304.438 2.078 20 30 DEEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])CC2CCCC2)sc2c1CC[NH2+]C2 ZINC001218553247 802204154 /nfs/dbraw/zinc/20/41/54/802204154.db2.gz OIRWKWAIVGQCLS-ZDUSSCGKSA-N 2 0 318.446 2.112 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C1 ZINC001221657020 802602125 /nfs/dbraw/zinc/60/21/25/802602125.db2.gz FWUREDVLHCDSKS-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027453 802634262 /nfs/dbraw/zinc/63/42/62/802634262.db2.gz WPLZDNANIGBWFT-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001223202580 802772888 /nfs/dbraw/zinc/77/28/88/802772888.db2.gz IHGINUTWDKKGJF-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223466377 802792288 /nfs/dbraw/zinc/79/22/88/802792288.db2.gz RKGQGCLSDVGGJS-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223946593 802824874 /nfs/dbraw/zinc/82/48/74/802824874.db2.gz FMKDQQWHMOLJEJ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153056 802841284 /nfs/dbraw/zinc/84/12/84/802841284.db2.gz HRDRSHKCOFUXNK-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225653493 802996956 /nfs/dbraw/zinc/99/69/56/802996956.db2.gz WYWGVNJZVMZWQQ-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227619311 803261601 /nfs/dbraw/zinc/26/16/01/803261601.db2.gz OHYCDGAROBCGGZ-MRXNPFEDSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001328038902 1148705188 /nfs/dbraw/zinc/70/51/88/1148705188.db2.gz LFVQYHCMPZPUHH-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331529540 1149513819 /nfs/dbraw/zinc/51/38/19/1149513819.db2.gz KVEQPIJSIKJOAR-WMZOPIPTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001420000917 1169050627 /nfs/dbraw/zinc/05/06/27/1169050627.db2.gz YVCYMRVXGNKYIA-CABCVRRESA-N 2 0 313.873 2.050 20 30 DEEDRP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C[NH+]1CCCC1 ZINC001345607422 1150898770 /nfs/dbraw/zinc/89/87/70/1150898770.db2.gz XVENXRUOAKVDDL-HNNXBMFYSA-N 2 0 314.433 2.208 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001328787697 1148835416 /nfs/dbraw/zinc/83/54/16/1148835416.db2.gz XVLCRUOQSCZICZ-SJORKVTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001499955168 1058400135 /nfs/dbraw/zinc/40/01/35/1058400135.db2.gz OIZCMQBCMNCLNV-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CC2CC2)CC1 ZINC001500054802 1058454897 /nfs/dbraw/zinc/45/48/97/1058454897.db2.gz USEKCYRCDXTJPH-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001500546611 1058910399 /nfs/dbraw/zinc/91/03/99/1058910399.db2.gz DIVSCOSEGGJFDQ-GOSISDBHSA-N 2 0 318.465 2.445 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001464911657 1059228599 /nfs/dbraw/zinc/22/85/99/1059228599.db2.gz YSUQTMCABHKKIO-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501067989 1059254258 /nfs/dbraw/zinc/25/42/58/1059254258.db2.gz VUDZVFNXLULIOU-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502545759 1060173508 /nfs/dbraw/zinc/17/35/08/1060173508.db2.gz GVIPZAJSDOLEKB-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001505473813 1060643603 /nfs/dbraw/zinc/64/36/03/1060643603.db2.gz YQRZAKBHKFYSPV-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001479369230 1061419746 /nfs/dbraw/zinc/41/97/46/1061419746.db2.gz PPGYQKKRUTWOMV-LAQRGFTBSA-N 2 0 319.493 2.167 20 30 DEEDRP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001479791772 1061774362 /nfs/dbraw/zinc/77/43/62/1061774362.db2.gz SGMOYRWADOQCIZ-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001506528007 1062085033 /nfs/dbraw/zinc/08/50/33/1062085033.db2.gz JJMCVTCLCOGHHU-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001480166749 1062415572 /nfs/dbraw/zinc/41/55/72/1062415572.db2.gz BWQFBQVEEPOMQQ-VQHPVUNQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001480211617 1062468173 /nfs/dbraw/zinc/46/81/73/1062468173.db2.gz UDSYBXHFNQNUNC-VVLHAWIVSA-N 2 0 305.466 2.206 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001507027623 1062692055 /nfs/dbraw/zinc/69/20/55/1062692055.db2.gz RKLOFCOTRZSCPZ-MSOLQXFVSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001507084534 1062800899 /nfs/dbraw/zinc/80/08/99/1062800899.db2.gz HFQWLJADPOVRPI-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001508081618 1063541559 /nfs/dbraw/zinc/54/15/59/1063541559.db2.gz PHZBXSMVOPFUQI-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001493574950 1063870722 /nfs/dbraw/zinc/87/07/22/1063870722.db2.gz PFHHBBGTTFNUKK-HNNXBMFYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001493848429 1063989592 /nfs/dbraw/zinc/98/95/92/1063989592.db2.gz DZRARUWRRLFZOM-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)CCn2ccnc2)CC1 ZINC001494202185 1064170319 /nfs/dbraw/zinc/17/03/19/1064170319.db2.gz RFNPTPATANMVCM-UHFFFAOYSA-N 2 0 318.465 2.410 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567660103 1064326355 /nfs/dbraw/zinc/32/63/55/1064326355.db2.gz SYXORBPJIYUMGD-IAGOWNOFSA-N 2 0 301.434 2.104 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567738835 1064394425 /nfs/dbraw/zinc/39/44/25/1064394425.db2.gz JALNHYJKEOTOFC-KRWDZBQOSA-N 2 0 315.461 2.328 20 30 DEEDRP C=CCC[C@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567742937 1064397617 /nfs/dbraw/zinc/39/76/17/1064397617.db2.gz VODWPWJTGKKJNJ-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567976831 1064574833 /nfs/dbraw/zinc/57/48/33/1064574833.db2.gz KQGSLOPWSNDOJW-YOEHRIQHSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001568067560 1064630160 /nfs/dbraw/zinc/63/01/60/1064630160.db2.gz DRNLHLGKEZOLPE-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001611434436 1078101566 /nfs/dbraw/zinc/10/15/66/1078101566.db2.gz VIFRDJSEBSDUDP-SFHVURJKSA-N 2 0 315.461 2.448 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001568106239 1064648982 /nfs/dbraw/zinc/64/89/82/1064648982.db2.gz PEEOSHNIDFCBLO-TVFCKZIOSA-N 2 0 317.477 2.044 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001495081887 1064686373 /nfs/dbraw/zinc/68/63/73/1064686373.db2.gz VZLMYIMCARJJNX-KRWDZBQOSA-N 2 0 303.450 2.422 20 30 DEEDRP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001568431089 1064867306 /nfs/dbraw/zinc/86/73/06/1064867306.db2.gz DTZKZVMPFUAJEZ-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001568452695 1064882093 /nfs/dbraw/zinc/88/20/93/1064882093.db2.gz IWLNBVGMGWYKOD-ROUUACIJSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568483136 1064903673 /nfs/dbraw/zinc/90/36/73/1064903673.db2.gz JOOXSCJQMUUJOS-YESZJQIVSA-N 2 0 309.498 2.462 20 30 DEEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568632515 1065009110 /nfs/dbraw/zinc/00/91/10/1065009110.db2.gz MFVMDXHUHSDRGR-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568669854 1065036850 /nfs/dbraw/zinc/03/68/50/1065036850.db2.gz XMWDZISCJMAMNT-FUHWJXTLSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001568695261 1065056117 /nfs/dbraw/zinc/05/61/17/1065056117.db2.gz ZOYJHPKTJRZEDP-CQSZACIVSA-N 2 0 315.889 2.344 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001569173853 1065339715 /nfs/dbraw/zinc/33/97/15/1065339715.db2.gz HBQLFVJVBOXAHG-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496297124 1065391928 /nfs/dbraw/zinc/39/19/28/1065391928.db2.gz SIBPNVVISXOYQZ-QZTJIDSGSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(Cl)CN(C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496725790 1065672254 /nfs/dbraw/zinc/67/22/54/1065672254.db2.gz HYRVWCNLUIXNRK-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569715321 1065687581 /nfs/dbraw/zinc/68/75/81/1065687581.db2.gz MOONNQRNJRNFCJ-IBGZPJMESA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001570039345 1065897926 /nfs/dbraw/zinc/89/79/26/1065897926.db2.gz KQVOWRCVKDZBNQ-XLAORIBOSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001570346964 1066023287 /nfs/dbraw/zinc/02/32/87/1066023287.db2.gz RMPXPPQVEZHYOS-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001570387855 1066043924 /nfs/dbraw/zinc/04/39/24/1066043924.db2.gz ROVXZXJLDQDURO-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001498284008 1066614931 /nfs/dbraw/zinc/61/49/31/1066614931.db2.gz RMNYWHICCCYCFM-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001498897380 1066945226 /nfs/dbraw/zinc/94/52/26/1066945226.db2.gz CXNDJTYSVIYFOM-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498978312 1066998626 /nfs/dbraw/zinc/99/86/26/1066998626.db2.gz AWHHXJKWOARILN-BRWVUGGUSA-N 2 0 309.498 2.488 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001266984128 1078480954 /nfs/dbraw/zinc/48/09/54/1078480954.db2.gz VPDSRYHKSDISLF-NVXWUHKLSA-N 2 0 303.450 2.350 20 30 DEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001499585343 1067267833 /nfs/dbraw/zinc/26/78/33/1067267833.db2.gz UFKUELRSZQBQJJ-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001570716703 1068091779 /nfs/dbraw/zinc/09/17/79/1068091779.db2.gz YQCKXOBTJJRAQB-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001570825553 1068131308 /nfs/dbraw/zinc/13/13/08/1068131308.db2.gz UVHLIFKPLYRWTC-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001570841398 1068136708 /nfs/dbraw/zinc/13/67/08/1068136708.db2.gz LOHXUYDJXGKWBL-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001571336490 1068230877 /nfs/dbraw/zinc/23/08/77/1068230877.db2.gz XGIQTGBHTAQBSY-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001571367415 1068253030 /nfs/dbraw/zinc/25/30/30/1068253030.db2.gz IREPFUIIDWJDEZ-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001571537395 1068405186 /nfs/dbraw/zinc/40/51/86/1068405186.db2.gz BCOYVOSFGHAHSH-SJORKVTESA-N 2 0 319.493 2.313 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001574756450 1069255660 /nfs/dbraw/zinc/25/56/60/1069255660.db2.gz ATZXLAFRKWRERR-LJQANCHMSA-N 2 0 311.429 2.072 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001267494367 1078918700 /nfs/dbraw/zinc/91/87/00/1078918700.db2.gz SKSMSMZCVKSZTC-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267568717 1079004445 /nfs/dbraw/zinc/00/44/45/1079004445.db2.gz XDAKXXYUEONHPT-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]CCN1CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C1 ZINC001236153064 1079089352 /nfs/dbraw/zinc/08/93/52/1079089352.db2.gz HVGAWGNVXZYIEZ-MRXNPFEDSA-N 2 0 313.562 2.128 20 30 DEEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001649448957 1079124176 /nfs/dbraw/zinc/12/41/76/1079124176.db2.gz HFIYURRLBOZCRW-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001483806262 1079134080 /nfs/dbraw/zinc/13/40/80/1079134080.db2.gz SYTJYSCZIKGELZ-ALOPSCKCSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267601564 1079138353 /nfs/dbraw/zinc/13/83/53/1079138353.db2.gz PDYJHJSODKUNAS-SFHVURJKSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CCCCCC1 ZINC001483814858 1079139083 /nfs/dbraw/zinc/13/90/83/1079139083.db2.gz FNXCUEKZSCFKHC-UHFFFAOYSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001483944090 1079201114 /nfs/dbraw/zinc/20/11/14/1079201114.db2.gz OIMIJPLTJCNKBB-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267616154 1079234248 /nfs/dbraw/zinc/23/42/48/1079234248.db2.gz YFCNZGNCCVMDLE-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C#CC[N@H+](CCC)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001481140219 1079247137 /nfs/dbraw/zinc/24/71/37/1079247137.db2.gz KVMDPTHIFGIUGO-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001484163435 1079338091 /nfs/dbraw/zinc/33/80/91/1079338091.db2.gz JZZHEAVKZOULMA-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001566697887 1075320132 /nfs/dbraw/zinc/32/01/32/1075320132.db2.gz ROQCPZNWFIEMEO-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566893435 1075376146 /nfs/dbraw/zinc/37/61/46/1075376146.db2.gz IDMNMJBSVVOVKX-AEFFLSMTSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267711380 1079398833 /nfs/dbraw/zinc/39/88/33/1079398833.db2.gz UKLTZGBPPVATBW-HOTGVXAUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001567265808 1075481693 /nfs/dbraw/zinc/48/16/93/1075481693.db2.gz FFVRTHBWLOYPLQ-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267764802 1079468729 /nfs/dbraw/zinc/46/87/29/1079468729.db2.gz ZSZLFOPBMOGTRB-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267764744 1079469078 /nfs/dbraw/zinc/46/90/78/1079469078.db2.gz YMDKGQXAZNYKSH-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001267812907 1079510575 /nfs/dbraw/zinc/51/05/75/1079510575.db2.gz IYGBSRHFHMZHIE-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267889071 1079573878 /nfs/dbraw/zinc/57/38/78/1079573878.db2.gz ZMDBSBNVNGFDTE-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484397203 1079586452 /nfs/dbraw/zinc/58/64/52/1079586452.db2.gz BZBMOYVHCRILSZ-BZSNNMDCSA-N 2 0 321.509 2.417 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001267947603 1079625156 /nfs/dbraw/zinc/62/51/56/1079625156.db2.gz XZGFFBVARZFREL-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481465839 1079918205 /nfs/dbraw/zinc/91/82/05/1079918205.db2.gz VSTQUJJHYZXMJT-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001485045220 1079928254 /nfs/dbraw/zinc/92/82/54/1079928254.db2.gz PMPPZAGLGLQLAC-IEBWSBKVSA-N 2 0 315.461 2.276 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001268045868 1079936646 /nfs/dbraw/zinc/93/66/46/1079936646.db2.gz LKTMHATZIXHRIQ-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001481510580 1079973660 /nfs/dbraw/zinc/97/36/60/1079973660.db2.gz YZYOTECHKBCPSK-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001673202388 1079992278 /nfs/dbraw/zinc/99/22/78/1079992278.db2.gz WWNPMWKROYQRKH-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485144951 1080011851 /nfs/dbraw/zinc/01/18/51/1080011851.db2.gz AQUHXABCUQWSLO-ZIAGYGMSSA-N 2 0 315.889 2.486 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCCC)CC1 ZINC001656108946 1080048142 /nfs/dbraw/zinc/04/81/42/1080048142.db2.gz ARTYAJVEBZJYQN-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001656376733 1080082269 /nfs/dbraw/zinc/08/22/69/1080082269.db2.gz DTUZAQNOGYKDJP-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001268137940 1080105184 /nfs/dbraw/zinc/10/51/84/1080105184.db2.gz NRRJBBNRYOMBAB-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001656681586 1080113140 /nfs/dbraw/zinc/11/31/40/1080113140.db2.gz GOTVQRPYHMZISL-IBGZPJMESA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001656909881 1080138228 /nfs/dbraw/zinc/13/82/28/1080138228.db2.gz SIPPSGMVSQHFTH-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCCCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272699308 1080164927 /nfs/dbraw/zinc/16/49/27/1080164927.db2.gz GOBHCFUYGSBPJE-SFHVURJKSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CCC[C@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001657910832 1080190132 /nfs/dbraw/zinc/19/01/32/1080190132.db2.gz FQIANSIAEJTNNF-SFHVURJKSA-N 2 0 316.445 2.025 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001485668769 1080355250 /nfs/dbraw/zinc/35/52/50/1080355250.db2.gz FOEIAWKCRCCNGX-KDURUIRLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001485706477 1080372655 /nfs/dbraw/zinc/37/26/55/1080372655.db2.gz HMHWHCMEPPNFGL-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115662001 1080613314 /nfs/dbraw/zinc/61/33/14/1080613314.db2.gz YTAYNRHNHUOZLY-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662863826 1080669326 /nfs/dbraw/zinc/66/93/26/1080669326.db2.gz ZPNCXFDUEWYPDD-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662863825 1080670021 /nfs/dbraw/zinc/67/00/21/1080670021.db2.gz ZPNCXFDUEWYPDD-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001663744411 1080812376 /nfs/dbraw/zinc/81/23/76/1080812376.db2.gz SQLZHDMGODFUQM-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001666172933 1081130576 /nfs/dbraw/zinc/13/05/76/1081130576.db2.gz ONNIUZRALUSDFY-GOSISDBHSA-N 2 0 319.493 2.104 20 30 DEEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001666547047 1081161609 /nfs/dbraw/zinc/16/16/09/1081161609.db2.gz NMFMHRCYICVMLU-IRXDYDNUSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666619626 1081167730 /nfs/dbraw/zinc/16/77/30/1081167730.db2.gz HJZQAYZMQZCNLF-RHSMWYFYSA-N 2 0 313.461 2.117 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1 ZINC001666778410 1081180790 /nfs/dbraw/zinc/18/07/90/1081180790.db2.gz NVOJKZCDTVFCAE-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001269533050 1081281063 /nfs/dbraw/zinc/28/10/63/1081281063.db2.gz NBYWFCNOYPWCAF-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001269558587 1081289753 /nfs/dbraw/zinc/28/97/53/1081289753.db2.gz ADUKRROJAKZVJC-UHFFFAOYSA-N 2 0 324.428 2.298 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001269597856 1081302729 /nfs/dbraw/zinc/30/27/29/1081302729.db2.gz PQFBCGHCVJCKLU-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001269693822 1081337226 /nfs/dbraw/zinc/33/72/26/1081337226.db2.gz ZUPHYUXQZYUUPR-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001269699790 1081337339 /nfs/dbraw/zinc/33/73/39/1081337339.db2.gz JNEMEWFDWMHSNG-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001671842783 1081542929 /nfs/dbraw/zinc/54/29/29/1081542929.db2.gz NRJBHQOBASUXRL-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001672280459 1081577741 /nfs/dbraw/zinc/57/77/41/1081577741.db2.gz UVXZEZHNFHWBEL-HIFRSBDPSA-N 2 0 321.490 2.293 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001673115926 1081740033 /nfs/dbraw/zinc/74/00/33/1081740033.db2.gz FVUYWXHBKVWWSS-GVDBMIGSSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)C[C@H](C)CC)CC1 ZINC001673491883 1081776006 /nfs/dbraw/zinc/77/60/06/1081776006.db2.gz SUEYFHRLQZRNKU-QGZVFWFLSA-N 2 0 321.509 2.158 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001270880209 1081790839 /nfs/dbraw/zinc/79/08/39/1081790839.db2.gz WBHURYCKMWLWKW-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001270907158 1081829971 /nfs/dbraw/zinc/82/99/71/1081829971.db2.gz XNBWHLYJVGVEOZ-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001270911963 1081834569 /nfs/dbraw/zinc/83/45/69/1081834569.db2.gz UREGEDMZABQNHH-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001674457812 1081875370 /nfs/dbraw/zinc/87/53/70/1081875370.db2.gz NRHVNKVLMAAJQK-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674462991 1081875524 /nfs/dbraw/zinc/87/55/24/1081875524.db2.gz CTRMDVYNCGJSPN-QGZVFWFLSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001674504605 1081883605 /nfs/dbraw/zinc/88/36/05/1081883605.db2.gz FYZAZWMKCFIYRZ-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001674595697 1081892085 /nfs/dbraw/zinc/89/20/85/1081892085.db2.gz WMRNTLSPPNMTMR-UHFFFAOYSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001271507503 1082068695 /nfs/dbraw/zinc/06/86/95/1082068695.db2.gz HGLWPSOTEJTSDS-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001271717912 1082118551 /nfs/dbraw/zinc/11/85/51/1082118551.db2.gz YAYOTEAQWGSENJ-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001482508285 1082130340 /nfs/dbraw/zinc/13/03/40/1082130340.db2.gz QSBMGHJLSHPQCJ-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001671507702 1082165800 /nfs/dbraw/zinc/16/58/00/1082165800.db2.gz GTNOLANHRFEMQG-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001482539521 1082187335 /nfs/dbraw/zinc/18/73/35/1082187335.db2.gz ZUUHOYNLPYZKFJ-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266752774 1082322939 /nfs/dbraw/zinc/32/29/39/1082322939.db2.gz WRGJPWHWNYGOAX-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001266884061 1082427919 /nfs/dbraw/zinc/42/79/19/1082427919.db2.gz KOHTUJJTALWJHQ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107585543 1083499106 /nfs/dbraw/zinc/49/91/06/1083499106.db2.gz FZBVWUSFMUXRFT-IEBWSBKVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001491561422 1084155007 /nfs/dbraw/zinc/15/50/07/1084155007.db2.gz VUUUIGQAYRDKQP-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CN1CCC2(CC[NH+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870174 1084400374 /nfs/dbraw/zinc/40/03/74/1084400374.db2.gz JPOZTISXIVHRIR-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722017 1084512829 /nfs/dbraw/zinc/51/28/29/1084512829.db2.gz HZJORSRWQSWPFT-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001272925697 1084620658 /nfs/dbraw/zinc/62/06/58/1084620658.db2.gz ACZOGPLQCKDNQF-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078668949 1084802219 /nfs/dbraw/zinc/80/22/19/1084802219.db2.gz ULPZQZXLCQTXTH-HOTGVXAUSA-N 2 0 317.477 2.208 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001486238392 1085158760 /nfs/dbraw/zinc/15/87/60/1085158760.db2.gz SQRVXBBVVVTPLC-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001486376477 1085248102 /nfs/dbraw/zinc/24/81/02/1085248102.db2.gz FSMNFOFGJWVEBK-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001486423328 1085296804 /nfs/dbraw/zinc/29/68/04/1085296804.db2.gz FZGHLQQHAOZRDS-SJORKVTESA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(C)CN1CC[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273029359 1086034148 /nfs/dbraw/zinc/03/41/48/1086034148.db2.gz BUBXKJRZTPLGLW-LJQANCHMSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273052801 1086091494 /nfs/dbraw/zinc/09/14/94/1086091494.db2.gz PUMZGXLQHCKVND-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128543978 1086206772 /nfs/dbraw/zinc/20/67/72/1086206772.db2.gz GRXPUCAZLXWDQL-OAHLLOKOSA-N 2 0 303.466 2.343 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000963927309 1086600065 /nfs/dbraw/zinc/60/00/65/1086600065.db2.gz RFLQSEQYGNWWTK-HVEGKCCWSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001273144800 1086810030 /nfs/dbraw/zinc/81/00/30/1086810030.db2.gz SQNFUSDRULYZOJ-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494634030 1087232233 /nfs/dbraw/zinc/23/22/33/1087232233.db2.gz YNKGNKZOOJYKKI-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114502053 1088180988 /nfs/dbraw/zinc/18/09/88/1088180988.db2.gz NAQCPPZNKIGAEV-FVQHAEBGSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318246 1088814309 /nfs/dbraw/zinc/81/43/09/1088814309.db2.gz LMMNHCUHNLXQMT-KBAYOESNSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080623856 1089104167 /nfs/dbraw/zinc/10/41/67/1089104167.db2.gz LYQKJEHMDUGBQU-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082699760 1090054715 /nfs/dbraw/zinc/05/47/15/1090054715.db2.gz WJUKRNHTHLLZNG-NXHRZFHOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488214 1090307346 /nfs/dbraw/zinc/30/73/46/1090307346.db2.gz QJXOVBJYMAFIKI-NVXWUHKLSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701229 1090400951 /nfs/dbraw/zinc/40/09/51/1090400951.db2.gz UIXWIGSYGSOQCH-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085101206 1090645675 /nfs/dbraw/zinc/64/56/75/1090645675.db2.gz HAWDTNHIYFUZPB-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001276070849 1091507392 /nfs/dbraw/zinc/50/73/92/1091507392.db2.gz OJNZTSBYRLMBJX-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190653541 1091949737 /nfs/dbraw/zinc/94/97/37/1091949737.db2.gz DIESDHJGBCVYEC-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001489342568 1093030318 /nfs/dbraw/zinc/03/03/18/1093030318.db2.gz QHCZEOSRUCCUOV-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001490308246 1093299588 /nfs/dbraw/zinc/29/95/88/1093299588.db2.gz UMYIHMPAQYAJEC-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001490420873 1093373332 /nfs/dbraw/zinc/37/33/32/1093373332.db2.gz KFPOPDVLLYVCPI-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691713837 1138209871 /nfs/dbraw/zinc/20/98/71/1138209871.db2.gz VYVDMSFXLCAGMY-MWDXBVQZSA-N 2 0 307.482 2.310 20 30 DEEDRP C[NH+](C)CCN(CCCc1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC001236921807 1138456838 /nfs/dbraw/zinc/45/68/38/1138456838.db2.gz CFTJMLGVFMNPQR-IBGZPJMESA-N 2 0 314.477 2.106 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCCC)CC1 ZINC001278185105 1138820740 /nfs/dbraw/zinc/82/07/40/1138820740.db2.gz XYOPBDDFBZEOKC-KRWDZBQOSA-N 2 0 307.482 2.053 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001278273832 1138870747 /nfs/dbraw/zinc/87/07/47/1138870747.db2.gz APNVMUPWQGLGDD-SFHVURJKSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001316661049 1139834804 /nfs/dbraw/zinc/83/48/04/1139834804.db2.gz ZEKWZTKXUHKHME-IXDOHACOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001318483670 1140346844 /nfs/dbraw/zinc/34/68/44/1140346844.db2.gz GPGUFQVRBQJNKB-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001318641534 1140378181 /nfs/dbraw/zinc/37/81/81/1140378181.db2.gz DRLVEGJCHLYZGF-UHFFFAOYSA-N 2 0 324.428 2.298 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001318822621 1140427861 /nfs/dbraw/zinc/42/78/61/1140427861.db2.gz BYFRAXBTXRZRJA-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001318897798 1140459655 /nfs/dbraw/zinc/45/96/55/1140459655.db2.gz NSUDBLGNTTUTII-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001319394156 1140561787 /nfs/dbraw/zinc/56/17/87/1140561787.db2.gz CGKCWWAMYIHVOR-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001319918467 1140803698 /nfs/dbraw/zinc/80/36/98/1140803698.db2.gz PJPKSAXGSQYFPK-DLBZAZTESA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001320184434 1140835913 /nfs/dbraw/zinc/83/59/13/1140835913.db2.gz AASHTEYKPRSSEO-ROUUACIJSA-N 2 0 319.493 2.150 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCC1(O)C[NH2+]C1 ZINC001245976140 1140840673 /nfs/dbraw/zinc/84/06/73/1140840673.db2.gz BIKPPKLJFITUIV-MRXNPFEDSA-N 2 0 300.487 2.192 20 30 DEEDRP C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245981428 1140841385 /nfs/dbraw/zinc/84/13/85/1140841385.db2.gz BFEKOLIDXPPJLU-ZWKOTPCHSA-N 2 0 323.525 2.338 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246304697 1140883074 /nfs/dbraw/zinc/88/30/74/1140883074.db2.gz LBHDQJFERQULHO-CABCVRRESA-N 2 0 317.433 2.345 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC[NH2+]CC2)c2ccccc2)CCN1 ZINC001246395126 1140893433 /nfs/dbraw/zinc/89/34/33/1140893433.db2.gz MRBNJLJHKJRMNA-QYZOEREBSA-N 2 0 312.461 2.351 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2F)C2CC[NH2+]CC2)CCN1 ZINC001246402402 1140894284 /nfs/dbraw/zinc/89/42/84/1140894284.db2.gz YDVYSEJEJMWQOQ-MPGHIAIKSA-N 2 0 316.424 2.100 20 30 DEEDRP CCc1cc(C#N)ccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001248751079 1141812390 /nfs/dbraw/zinc/81/23/90/1141812390.db2.gz IMACJKOLUXZYCM-UHFFFAOYSA-N 2 0 302.466 2.046 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001323860196 1141894195 /nfs/dbraw/zinc/89/41/95/1141894195.db2.gz OQVIDTZNUXKYQK-SFHVURJKSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278571159 1142211013 /nfs/dbraw/zinc/21/10/13/1142211013.db2.gz KLACNSVPOWOFEU-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278573724 1142217302 /nfs/dbraw/zinc/21/73/02/1142217302.db2.gz ZNXNMPYNIHBCKR-CVEARBPZSA-N 2 0 324.428 2.154 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252130813 1142651430 /nfs/dbraw/zinc/65/14/30/1142651430.db2.gz YLHBETGFUUQUQP-GOSISDBHSA-N 2 0 313.530 2.277 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001252489387 1142734279 /nfs/dbraw/zinc/73/42/79/1142734279.db2.gz ZBZDXCJMSVGYLN-SFHVURJKSA-N 2 0 310.482 2.184 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001278673803 1142774786 /nfs/dbraw/zinc/77/47/86/1142774786.db2.gz VWIUQVXCRNOPFH-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1OC ZINC001252625662 1142796885 /nfs/dbraw/zinc/79/68/85/1142796885.db2.gz XSKVYHLDKYJUCA-IPMKNSEASA-N 2 0 318.461 2.193 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001340882336 1143480422 /nfs/dbraw/zinc/48/04/22/1143480422.db2.gz XTAYWBDDYOJBGR-JQHSSLGASA-N 2 0 315.461 2.449 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC001342318107 1143810900 /nfs/dbraw/zinc/81/09/00/1143810900.db2.gz ICUZCHTVERGASH-KRWDZBQOSA-N 2 0 309.498 2.496 20 30 DEEDRP C#C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001261179378 1144225077 /nfs/dbraw/zinc/22/50/77/1144225077.db2.gz ISRJOZIGYZWLBG-QGZVFWFLSA-N 2 0 303.425 2.325 20 30 DEEDRP C#Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC001262681685 1144327140 /nfs/dbraw/zinc/32/71/40/1144327140.db2.gz WLPLOXWLFCMWSN-UHFFFAOYSA-N 2 0 321.428 2.082 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001264390761 1144525891 /nfs/dbraw/zinc/52/58/91/1144525891.db2.gz GJOSAMQIICSUFM-IYBDPMFKSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264652190 1144585894 /nfs/dbraw/zinc/58/58/94/1144585894.db2.gz XLQXOGKAZBASDW-BBWFWOEESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001265217520 1144669699 /nfs/dbraw/zinc/66/96/99/1144669699.db2.gz XUOMHIWIWDUHND-JKSUJKDBSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265587144 1144715226 /nfs/dbraw/zinc/71/52/26/1144715226.db2.gz WWBRPQQEVMMZIA-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001266219132 1144815561 /nfs/dbraw/zinc/81/55/61/1144815561.db2.gz WEFHKVKMOPMVFZ-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001280394304 1144837798 /nfs/dbraw/zinc/83/77/98/1144837798.db2.gz ILLQWUJZJWMIOS-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001280864497 1144860220 /nfs/dbraw/zinc/86/02/20/1144860220.db2.gz PRQTWWGVUZZRSP-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001281887905 1144918017 /nfs/dbraw/zinc/91/80/17/1144918017.db2.gz SIGFEBCVPFDMNN-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001282311156 1145032943 /nfs/dbraw/zinc/03/29/43/1145032943.db2.gz YRQNRFJJGAJVFO-KRWDZBQOSA-N 2 0 321.509 2.206 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001282558124 1145086708 /nfs/dbraw/zinc/08/67/08/1145086708.db2.gz MQQNTBQTGCGXHC-QZTJIDSGSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001284067547 1145783108 /nfs/dbraw/zinc/78/31/08/1145783108.db2.gz LXQYZXZBGOAPSK-SJLPKXTDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292274514 1146851356 /nfs/dbraw/zinc/85/13/56/1146851356.db2.gz RBBCEJYNMGLLSQ-GOSISDBHSA-N 2 0 315.461 2.133 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001491829146 1146906253 /nfs/dbraw/zinc/90/62/53/1146906253.db2.gz GCCANKWMAGOMHT-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491890698 1146958162 /nfs/dbraw/zinc/95/81/62/1146958162.db2.gz FIKCHRIYMFGLDT-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001492176948 1147117851 /nfs/dbraw/zinc/11/78/51/1147117851.db2.gz BHCGSVSAHXZEDJ-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001316770160 1147596248 /nfs/dbraw/zinc/59/62/48/1147596248.db2.gz LWGZHQHXYYTCPW-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316999310 1147646771 /nfs/dbraw/zinc/64/67/71/1147646771.db2.gz WFBQKFDMWMRUHI-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001317032928 1147650467 /nfs/dbraw/zinc/65/04/67/1147650467.db2.gz DDEXEOPQJFQFRH-SJORKVTESA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001367157331 1147657887 /nfs/dbraw/zinc/65/78/87/1147657887.db2.gz ORHYFJKTAKFMIY-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001317186991 1147673216 /nfs/dbraw/zinc/67/32/16/1147673216.db2.gz CHWMFAYSCVWPFT-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317186888 1147673226 /nfs/dbraw/zinc/67/32/26/1147673226.db2.gz VGCNUAJZLKLXRZ-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001317434517 1147707905 /nfs/dbraw/zinc/70/79/05/1147707905.db2.gz JCJVMLDMXUPZFE-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317615584 1147733175 /nfs/dbraw/zinc/73/31/75/1147733175.db2.gz ZPYQOAGYBBOTEH-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001317723590 1147747399 /nfs/dbraw/zinc/74/73/99/1147747399.db2.gz HPODGSLLWMBWPJ-QGZVFWFLSA-N 2 0 315.461 2.045 20 30 DEEDRP C#CC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317786475 1147752278 /nfs/dbraw/zinc/75/22/78/1147752278.db2.gz AQHKHSLEIUWAPN-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001324681862 1147830921 /nfs/dbraw/zinc/83/09/21/1147830921.db2.gz XHQVMABHAXAWAK-SFHVURJKSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001324970614 1147862641 /nfs/dbraw/zinc/86/26/41/1147862641.db2.gz AQDJIRIURNWMRX-KRWDZBQOSA-N 2 0 304.438 2.137 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001325655097 1147976448 /nfs/dbraw/zinc/97/64/48/1147976448.db2.gz AYUPUHIPWDBSDV-BZSNNMDCSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001325778777 1147999046 /nfs/dbraw/zinc/99/90/46/1147999046.db2.gz LYWQMIVHZWGQAD-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001325839795 1148006984 /nfs/dbraw/zinc/00/69/84/1148006984.db2.gz GHKKBSCUVTZPHB-MRXNPFEDSA-N 2 0 314.433 2.208 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325897216 1148015610 /nfs/dbraw/zinc/01/56/10/1148015610.db2.gz JQUIZCJRHYMEGV-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001325956007 1148024185 /nfs/dbraw/zinc/02/41/85/1148024185.db2.gz OHHWHRHHMMUBEF-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001325957049 1148024604 /nfs/dbraw/zinc/02/46/04/1148024604.db2.gz XOINZSXOTZIWDO-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001326526099 1148132518 /nfs/dbraw/zinc/13/25/18/1148132518.db2.gz ZXIMROKUOBUACX-TVFCKZIOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001368101034 1148224351 /nfs/dbraw/zinc/22/43/51/1148224351.db2.gz DVXFVDOUPODUPZ-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001326747662 1148229938 /nfs/dbraw/zinc/22/99/38/1148229938.db2.gz CDRYAMISZJFROF-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C[N@H+](CC(C)(C)CCC#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633086 529844341 /nfs/dbraw/zinc/84/43/41/529844341.db2.gz USUDWSMCAHEKKX-KRWDZBQOSA-N 2 0 306.498 2.417 20 30 DEEDRP CNC(=[NH2+])NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000069672985 354871957 /nfs/dbraw/zinc/87/19/57/354871957.db2.gz FVYNBBXDJLKKHT-UHFFFAOYSA-N 2 0 302.466 2.255 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181500949 356083150 /nfs/dbraw/zinc/08/31/50/356083150.db2.gz XMKIEHLZOZNWER-CVEARBPZSA-N 2 0 300.450 2.235 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000591581035 357738120 /nfs/dbraw/zinc/73/81/20/357738120.db2.gz JMHWMUXMQDYPPQ-SFHVURJKSA-N 2 0 310.445 2.259 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660598508 540309903 /nfs/dbraw/zinc/30/99/03/540309903.db2.gz ZSXVPSZHYYAKPT-MRXNPFEDSA-N 2 0 322.497 2.199 20 30 DEEDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598724888 359306367 /nfs/dbraw/zinc/30/63/67/359306367.db2.gz SEBZMWWNVXEMOT-KRWDZBQOSA-N 2 0 303.450 2.181 20 30 DEEDRP N#Cc1ccc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)o1 ZINC000600770130 359824146 /nfs/dbraw/zinc/82/41/46/359824146.db2.gz VGWNJHXURPBORR-UHFFFAOYSA-N 2 0 324.428 2.234 20 30 DEEDRP N#Cc1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000602583550 360443998 /nfs/dbraw/zinc/44/39/98/360443998.db2.gz YTJYSFIUSUXXTK-UHFFFAOYSA-N 2 0 307.401 2.354 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000602593570 360448361 /nfs/dbraw/zinc/44/83/61/360448361.db2.gz JWBWILXRNAEBBQ-OAHLLOKOSA-N 2 0 316.449 2.007 20 30 DEEDRP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000268961691 207126466 /nfs/dbraw/zinc/12/64/66/207126466.db2.gz JAOBETMVMGCYGV-MOPGFXCFSA-N 2 0 313.445 2.416 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001368653812 1148553069 /nfs/dbraw/zinc/55/30/69/1148553069.db2.gz JPKQWXCCWHGSAK-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158878787 197308267 /nfs/dbraw/zinc/30/82/67/197308267.db2.gz FKPSARZGNBMGPR-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000113340782 401776625 /nfs/dbraw/zinc/77/66/25/401776625.db2.gz DWTIMCKUZPQSOQ-GOSISDBHSA-N 2 0 316.445 2.025 20 30 DEEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123358478 402123536 /nfs/dbraw/zinc/12/35/36/402123536.db2.gz ZHNVABCYVLKECP-MRXNPFEDSA-N 2 0 322.497 2.048 20 30 DEEDRP COc1cccc([C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]2CCCC2)c1 ZINC000104155839 402199791 /nfs/dbraw/zinc/19/97/91/402199791.db2.gz ZWFFKPKICPJMIQ-QGZVFWFLSA-N 2 0 318.465 2.311 20 30 DEEDRP C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158470657 402306568 /nfs/dbraw/zinc/30/65/68/402306568.db2.gz AVUVUPNYPYHIBM-SWLSCSKDSA-N 2 0 308.495 2.450 20 30 DEEDRP C=C(C)C[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000175981695 402846085 /nfs/dbraw/zinc/84/60/85/402846085.db2.gz HAWPONVOWQHDEE-KRWDZBQOSA-N 2 0 303.450 2.304 20 30 DEEDRP CCCCCCNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270544749 403199640 /nfs/dbraw/zinc/19/96/40/403199640.db2.gz DHRNIWBRMCUHFX-UHFFFAOYSA-N 2 0 321.469 2.007 20 30 DEEDRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000332348536 403557773 /nfs/dbraw/zinc/55/77/73/403557773.db2.gz ALRPQALHRJNFEZ-OALUTQOASA-N 2 0 313.445 2.334 20 30 DEEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccn3ccnc3c2)C[C@@H]1C ZINC000329009470 404199556 /nfs/dbraw/zinc/19/95/56/404199556.db2.gz DDMZXEIBELHIDW-KBPBESRZSA-N 2 0 315.421 2.163 20 30 DEEDRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000291965307 404602519 /nfs/dbraw/zinc/60/25/19/404602519.db2.gz SCNJGXLKJDUKMU-LLVKDONJSA-N 2 0 316.371 2.307 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](C)CCCC)CC1 ZINC000357753986 404742811 /nfs/dbraw/zinc/74/28/11/404742811.db2.gz YBHVYEUTVYVRBV-MRXNPFEDSA-N 2 0 324.513 2.447 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000357823484 404745019 /nfs/dbraw/zinc/74/50/19/404745019.db2.gz VQRGJMPRZNUYKT-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000358205739 404756570 /nfs/dbraw/zinc/75/65/70/404756570.db2.gz RPCZSYPGWLSKDJ-UHFFFAOYSA-N 2 0 310.486 2.056 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000358319102 404760056 /nfs/dbraw/zinc/76/00/56/404760056.db2.gz NHCHDJDVXOFIJU-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CCOc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1Cl ZINC000415139194 404817723 /nfs/dbraw/zinc/81/77/23/404817723.db2.gz IKQVFAZQDBNILJ-UHFFFAOYSA-N 2 0 310.825 2.190 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)C(C)C ZINC000417064457 405024904 /nfs/dbraw/zinc/02/49/04/405024904.db2.gz OQKYXVSSNJTZSA-GVDBMIGSSA-N 2 0 322.497 2.077 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000515654267 406074696 /nfs/dbraw/zinc/07/46/96/406074696.db2.gz KTXGJEIPMARVRQ-DLBZAZTESA-N 2 0 307.482 2.333 20 30 DEEDRP C=C(C)CN1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641719275 406878275 /nfs/dbraw/zinc/87/82/75/406878275.db2.gz OIJGEOTWLMGBCP-UHFFFAOYSA-N 2 0 300.406 2.399 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000571550762 292556237 /nfs/dbraw/zinc/55/62/37/292556237.db2.gz WVTQSJFTYCCPCP-MFNRNEDNSA-N 2 0 314.433 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898586 782030794 /nfs/dbraw/zinc/03/07/94/782030794.db2.gz LXWOMYSRAWYDNF-IXDOHACOSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730907 425723917 /nfs/dbraw/zinc/72/39/17/425723917.db2.gz URQGBHUUJWGWHU-LPHOPBHVSA-N 2 0 315.461 2.321 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662744619 425726634 /nfs/dbraw/zinc/72/66/34/425726634.db2.gz ANUDQDPZFFSIAN-AEFFLSMTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662739187 425726677 /nfs/dbraw/zinc/72/66/77/425726677.db2.gz DECNKCPQGRJJDC-AEFFLSMTSA-N 2 0 305.466 2.162 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CCCS1)NCC1([NH+](C)C)CCCCC1 ZINC000262026543 277751811 /nfs/dbraw/zinc/75/18/11/277751811.db2.gz ZVFNRIKYCZNVJN-AWEZNQCLSA-N 2 0 312.527 2.312 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)C(C)C ZINC000417062880 277848190 /nfs/dbraw/zinc/84/81/90/277848190.db2.gz MOCFWZFATMEHNJ-KRWDZBQOSA-N 2 0 322.497 2.065 20 30 DEEDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278871352 280188706 /nfs/dbraw/zinc/18/87/06/280188706.db2.gz WZGWJLDSTKRTDA-VQIMIIECSA-N 2 0 314.477 2.482 20 30 DEEDRP C[NH+]=C(NCCOC1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262499900 526361845 /nfs/dbraw/zinc/36/18/45/526361845.db2.gz XYJSIDNBXNHOLO-INIZCTEOSA-N 2 0 322.497 2.081 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000417541372 526585023 /nfs/dbraw/zinc/58/50/23/526585023.db2.gz QSDTXFJGIJBEOS-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP CCN(CC)C(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264164753 527982308 /nfs/dbraw/zinc/98/23/08/527982308.db2.gz BYQVJOVRUWZGJC-UHFFFAOYSA-N 2 0 306.454 2.174 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCS[C@@H](CC)C1 ZINC000262051561 528809466 /nfs/dbraw/zinc/80/94/66/528809466.db2.gz ZOVJUMSBXFZSMR-HOCLYGCPSA-N 2 0 324.538 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001379380530 1152616929 /nfs/dbraw/zinc/61/69/29/1152616929.db2.gz FDSBHLIHOGDFDO-UKRRQHHQSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025290075 625326270 /nfs/dbraw/zinc/32/62/70/625326270.db2.gz XPXXVBUZPYDOCT-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023573170 625329760 /nfs/dbraw/zinc/32/97/60/625329760.db2.gz ULYYKKIUZHEKCP-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310300 625403228 /nfs/dbraw/zinc/40/32/28/625403228.db2.gz OYXZLGWWMPOUMB-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486833 625478412 /nfs/dbraw/zinc/47/84/12/625478412.db2.gz XOUMGKLIJKURNF-CVEARBPZSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001026572037 625531554 /nfs/dbraw/zinc/53/15/54/625531554.db2.gz ZJZZKRWNLTXYEH-OFLPRAFFSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144882 622588561 /nfs/dbraw/zinc/58/85/61/622588561.db2.gz VVULWUKBIXPGNV-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP 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 622925913 /nfs/dbraw/zinc/92/59/13/622925913.db2.gz KCCDWSHQSHKNGI-CKEIUWERSA-N 2 0 311.445 2.012 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025602196 625625376 /nfs/dbraw/zinc/62/53/76/625625376.db2.gz ZFZVLHVBJGUNJG-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001021093671 623337269 /nfs/dbraw/zinc/33/72/69/623337269.db2.gz GEGPFTBUYMCHMK-SHTZXODSSA-N 2 0 321.852 2.351 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001021120930 623360129 /nfs/dbraw/zinc/36/01/29/623360129.db2.gz OHGKYIMIUQSTLW-HDJSIYSDSA-N 2 0 305.422 2.158 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575936 623779603 /nfs/dbraw/zinc/77/96/03/623779603.db2.gz PFRCHBKHHFQJIA-JKSUJKDBSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021603697 623818599 /nfs/dbraw/zinc/81/85/99/623818599.db2.gz QXIGDQQWPQGINW-WBVHZDCISA-N 2 0 316.449 2.231 20 30 DEEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000933773904 624619415 /nfs/dbraw/zinc/61/94/15/624619415.db2.gz SRADPEOQSLNWSE-UHFFFAOYSA-N 2 0 320.506 2.468 20 30 DEEDRP 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 634419794 /nfs/dbraw/zinc/41/97/94/634419794.db2.gz DBLPGDSTRWLMSM-ZJPYXAASSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446818 625271488 /nfs/dbraw/zinc/27/14/88/625271488.db2.gz YQUFRWFQNUAGOD-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]12 ZINC001026297584 625272654 /nfs/dbraw/zinc/27/26/54/625272654.db2.gz FTCAUFRMPCQNPJ-FHLIZLRMSA-N 2 0 324.428 2.269 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454352 625275974 /nfs/dbraw/zinc/27/59/74/625275974.db2.gz SWASAEFDVKNFQV-INIZCTEOSA-N 2 0 324.428 2.108 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001024479228 625804486 /nfs/dbraw/zinc/80/44/86/625804486.db2.gz CPQCXLKZMQZMAQ-HOTGVXAUSA-N 2 0 316.449 2.307 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535831 625853209 /nfs/dbraw/zinc/85/32/09/625853209.db2.gz YKXMFPHGQHWJRG-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999162814 634502738 /nfs/dbraw/zinc/50/27/38/634502738.db2.gz MIWUPYXJDGHPSN-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999292980 634552823 /nfs/dbraw/zinc/55/28/23/634552823.db2.gz IYKVEROGWLMNIA-HESLUPGFSA-N 2 0 313.873 2.048 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC000995854510 633130530 /nfs/dbraw/zinc/13/05/30/633130530.db2.gz LLWLAVHGMGYTAZ-AWEZNQCLSA-N 2 0 321.490 2.436 20 30 DEEDRP C[NH+](C)C1(C)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000931348698 633133636 /nfs/dbraw/zinc/13/36/36/633133636.db2.gz LQFMYKVPOPFXSG-UHFFFAOYSA-N 2 0 320.462 2.364 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601032 633167929 /nfs/dbraw/zinc/16/79/29/633167929.db2.gz QXOZPJUOABHZPM-XHSDSOJGSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974747866 633279666 /nfs/dbraw/zinc/27/96/66/633279666.db2.gz SBGQZGZHRFAOKY-KRWDZBQOSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974831775 633325026 /nfs/dbraw/zinc/32/50/26/633325026.db2.gz XHPDEDWAHWCPJV-MRXNPFEDSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000997059487 633565716 /nfs/dbraw/zinc/56/57/16/633565716.db2.gz DEPDZAKNYMBBBC-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997120114 633602890 /nfs/dbraw/zinc/60/28/90/633602890.db2.gz MQDVKBLJFXHZKJ-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000997147605 633627780 /nfs/dbraw/zinc/62/77/80/633627780.db2.gz PFAVIYZRZVRNTG-FVQBIDKESA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997180354 633669825 /nfs/dbraw/zinc/66/98/25/633669825.db2.gz PYKQDNWPFCFVHM-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027436757 633783954 /nfs/dbraw/zinc/78/39/54/633783954.db2.gz FIIRJNIWDIJUGM-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027437656 633784837 /nfs/dbraw/zinc/78/48/37/633784837.db2.gz CYAFWDMSWZABJM-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997951772 634073397 /nfs/dbraw/zinc/07/33/97/634073397.db2.gz ZSOCWYRHGONGPP-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998098965 634140062 /nfs/dbraw/zinc/14/00/62/634140062.db2.gz RHPCJSXBFNWHEP-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cnc3C)C[C@H]2C1 ZINC000980235119 634903806 /nfs/dbraw/zinc/90/38/06/634903806.db2.gz ZOULYOCRFBQQCV-HRCADAONSA-N 2 0 316.449 2.053 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001001006469 635377025 /nfs/dbraw/zinc/37/70/25/635377025.db2.gz GUJPZKPUHNOAIO-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001001006472 635377039 /nfs/dbraw/zinc/37/70/39/635377039.db2.gz GUJPZKPUHNOAIO-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981324429 635440333 /nfs/dbraw/zinc/44/03/33/635440333.db2.gz LNWSNDTXYBJVTG-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981509956 635509423 /nfs/dbraw/zinc/50/94/23/635509423.db2.gz ILYBAYGWFDBRTK-UHFFFAOYSA-N 2 0 312.417 2.367 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000981535889 635520699 /nfs/dbraw/zinc/52/06/99/635520699.db2.gz WSHQSIOHAYIGRS-QZTJIDSGSA-N 2 0 313.445 2.012 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000981540781 635523031 /nfs/dbraw/zinc/52/30/31/635523031.db2.gz GCUUWXQBEMKVAA-SJORKVTESA-N 2 0 313.445 2.012 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001002160218 635629596 /nfs/dbraw/zinc/62/95/96/635629596.db2.gz VGGSDKCPQNGWRY-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982112801 635873984 /nfs/dbraw/zinc/87/39/84/635873984.db2.gz FCWXRMLEMRGTNS-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP 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 635954969 /nfs/dbraw/zinc/95/49/69/635954969.db2.gz RYWGRQVJHZLPTE-QRQLOZEOSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 635960450 /nfs/dbraw/zinc/96/04/50/635960450.db2.gz ZPOUDVYHQBZMIT-NXHRZFHOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001003651459 636009935 /nfs/dbraw/zinc/00/99/35/636009935.db2.gz DGOBKLLSVFLTCL-HZPDHXFCSA-N 2 0 316.449 2.070 20 30 DEEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925894436 636014532 /nfs/dbraw/zinc/01/45/32/636014532.db2.gz YEVXSYIMSYFQIL-ZBFHGGJFSA-N 2 0 301.438 2.266 20 30 DEEDRP C=C(Cl)CN1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003841463 636063774 /nfs/dbraw/zinc/06/37/74/636063774.db2.gz LBMIWDZEZJIXER-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335464 636135871 /nfs/dbraw/zinc/13/58/71/636135871.db2.gz VVNJTMMOMNINGG-MRXNPFEDSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004210742 636229022 /nfs/dbraw/zinc/22/90/22/636229022.db2.gz ZZGDOVLVBNFNQO-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001004375749 636403154 /nfs/dbraw/zinc/40/31/54/636403154.db2.gz SKGWIZZQONCFIF-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001005999419 637064256 /nfs/dbraw/zinc/06/42/56/637064256.db2.gz XPQVGDMYSYOMMV-DOTOQJQBSA-N 2 0 307.482 2.073 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006292824 637332432 /nfs/dbraw/zinc/33/24/32/637332432.db2.gz UTMOACSGYDZWJI-SJLPKXTDSA-N 2 0 319.493 2.053 20 30 DEEDRP C[NH+]1CCC(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000895627948 638120523 /nfs/dbraw/zinc/12/05/23/638120523.db2.gz UKKHYUQDNADNTQ-UHFFFAOYSA-N 2 0 313.445 2.495 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985426189 639393104 /nfs/dbraw/zinc/39/31/04/639393104.db2.gz MQWRFEDXKYPYOI-KRWDZBQOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000986443777 639901670 /nfs/dbraw/zinc/90/16/70/639901670.db2.gz BJNLQPAGNGGPFS-WMLDXEAASA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989521090 641135820 /nfs/dbraw/zinc/13/58/20/641135820.db2.gz CNNFHTCJGHRTDE-DZGCQCFKSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433521 641207591 /nfs/dbraw/zinc/20/75/91/641207591.db2.gz KQTYDZXCYXEXEG-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000907952920 644699256 /nfs/dbraw/zinc/69/92/56/644699256.db2.gz GTCJLLGEJHIAKX-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP COCC[N@@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]CC(C)C ZINC000912509176 646091075 /nfs/dbraw/zinc/09/10/75/646091075.db2.gz VUPYITJNGAMWDV-OAHLLOKOSA-N 2 0 312.502 2.087 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991621236 646548428 /nfs/dbraw/zinc/54/84/28/646548428.db2.gz HJCFKMLALZHUHP-MJGOQNOKSA-N 2 0 322.412 2.084 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991857029 646669994 /nfs/dbraw/zinc/66/99/94/646669994.db2.gz CGSPJKCFLBCRIT-MJGOQNOKSA-N 2 0 322.412 2.084 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC000170907942 646674925 /nfs/dbraw/zinc/67/49/25/646674925.db2.gz BADOWBYHKCMMFH-QGZVFWFLSA-N 2 0 318.465 2.387 20 30 DEEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCC1)N1CCSCC1 ZINC000170908965 646675067 /nfs/dbraw/zinc/67/50/67/646675067.db2.gz NLNBAIXGCFMBPQ-UHFFFAOYSA-N 2 0 318.490 2.146 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992141098 646870877 /nfs/dbraw/zinc/87/08/77/646870877.db2.gz GNSVATOETWUAEL-SJLPKXTDSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992194291 646896444 /nfs/dbraw/zinc/89/64/44/646896444.db2.gz XMTAAQMQKMZYOB-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP COCC1(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC[NH2+]CC1 ZINC000817974276 647397856 /nfs/dbraw/zinc/39/78/56/647397856.db2.gz KNODUQLTXCHSJV-OAHLLOKOSA-N 2 0 317.433 2.256 20 30 DEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000818224641 647436790 /nfs/dbraw/zinc/43/67/90/647436790.db2.gz NZDXNHRTNHYLIK-HKUYNNGSSA-N 2 0 315.461 2.119 20 30 DEEDRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CCCC1 ZINC000819228343 647612149 /nfs/dbraw/zinc/61/21/49/647612149.db2.gz SZZQPUYMCHTEEI-KRWDZBQOSA-N 2 0 301.434 2.303 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993501617 647680889 /nfs/dbraw/zinc/68/08/89/647680889.db2.gz LVTWBRMXALJMLR-YJBOKZPZSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994078210 647785521 /nfs/dbraw/zinc/78/55/21/647785521.db2.gz HBBVKONIJSGSQZ-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994162362 647797210 /nfs/dbraw/zinc/79/72/10/647797210.db2.gz ACJRUILHMYKPTF-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941164854 649011590 /nfs/dbraw/zinc/01/15/90/649011590.db2.gz XZGZOHXKPDOKLH-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372330 649096969 /nfs/dbraw/zinc/09/69/69/649096969.db2.gz CEGDYHAYAFZRPT-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821180 649289473 /nfs/dbraw/zinc/28/94/73/649289473.db2.gz CVXFVFWIOKPLHR-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943288940 649358897 /nfs/dbraw/zinc/35/88/97/649358897.db2.gz NYRXTCNXVSSUDD-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[C@@H](COC)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000858333784 652309231 /nfs/dbraw/zinc/30/92/31/652309231.db2.gz BBCBIRXJJLLRMZ-KRWDZBQOSA-N 2 0 315.461 2.349 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000304750108 685258720 /nfs/dbraw/zinc/25/87/20/685258720.db2.gz IDWMBZIENFTLPO-WBVHZDCISA-N 2 0 302.466 2.487 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(C)cc1 ZINC000304764026 685260859 /nfs/dbraw/zinc/26/08/59/685260859.db2.gz XLARDARTSLFJBY-HOTGVXAUSA-N 2 0 318.465 2.151 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134992 693859486 /nfs/dbraw/zinc/85/94/86/693859486.db2.gz RXDHFRSPTCBTHB-ZHALLVOQSA-N 2 0 319.493 2.217 20 30 DEEDRP C[NH+]=C(NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccco1 ZINC000303397142 685232125 /nfs/dbraw/zinc/23/21/25/685232125.db2.gz IMIZJTAJQIBBJJ-GASCZTMLSA-N 2 0 306.454 2.313 20 30 DEEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303864927 685236893 /nfs/dbraw/zinc/23/68/93/685236893.db2.gz BISMQULUEUKINO-KRWDZBQOSA-N 2 0 302.466 2.254 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000303883875 685237752 /nfs/dbraw/zinc/23/77/52/685237752.db2.gz IVNRBKORMQJLGT-OAHLLOKOSA-N 2 0 317.481 2.002 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930911 687470213 /nfs/dbraw/zinc/47/02/13/687470213.db2.gz WCECKUSTNRZRMP-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016542544 687648515 /nfs/dbraw/zinc/64/85/15/687648515.db2.gz IVYBNTYUELXYJJ-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662535 687677489 /nfs/dbraw/zinc/67/74/89/687677489.db2.gz KLONDYLSLBMASZ-IRXDYDNUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862125 687721127 /nfs/dbraw/zinc/72/11/27/687721127.db2.gz RUKXVHQORSYBJZ-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001020156716 688475652 /nfs/dbraw/zinc/47/56/52/688475652.db2.gz XPUQLZBLRCXDLP-JYJNAYRXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129359 689068155 /nfs/dbraw/zinc/06/81/55/689068155.db2.gz WRLRXUFQCHKIAV-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684475 689224652 /nfs/dbraw/zinc/22/46/52/689224652.db2.gz RALWSAAZTGWORT-ROUUACIJSA-N 2 0 313.445 2.223 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033294637 689451850 /nfs/dbraw/zinc/45/18/50/689451850.db2.gz CFBGFMPPIWIJQE-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475763 689514468 /nfs/dbraw/zinc/51/44/68/689514468.db2.gz RGOLXRRFOIEDFX-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033575369 689548764 /nfs/dbraw/zinc/54/87/64/689548764.db2.gz RBMIFJRGPUTABK-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855073 689639642 /nfs/dbraw/zinc/63/96/42/689639642.db2.gz GNMJLZKCFNNXRU-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932919 689666260 /nfs/dbraw/zinc/66/62/60/689666260.db2.gz UMJXRGAPKGFYCY-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034369790 689826396 /nfs/dbraw/zinc/82/63/96/689826396.db2.gz VFDWHKWNHMTMTJ-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437525 689850992 /nfs/dbraw/zinc/85/09/92/689850992.db2.gz GXAQCTAUYKXXOG-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034440035 689851021 /nfs/dbraw/zinc/85/10/21/689851021.db2.gz YMKJUUDKZRXKIW-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001034748785 689939875 /nfs/dbraw/zinc/93/98/75/689939875.db2.gz CPUZJUNYDDWYMY-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034778346 689945980 /nfs/dbraw/zinc/94/59/80/689945980.db2.gz HYXJNIZWWJQVSU-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876875743 689960850 /nfs/dbraw/zinc/96/08/50/689960850.db2.gz YYHWHJIBADKTSB-JKSUJKDBSA-N 2 0 321.852 2.189 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035197416 690057144 /nfs/dbraw/zinc/05/71/44/690057144.db2.gz MTKPGDOHDKCULG-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238800 690069947 /nfs/dbraw/zinc/06/99/47/690069947.db2.gz GWDYBQDBOPZIMR-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877447647 690116060 /nfs/dbraw/zinc/11/60/60/690116060.db2.gz ZNUCMXBXMWIHBP-HYVNUMGLSA-N 2 0 320.481 2.154 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036202009 690289225 /nfs/dbraw/zinc/28/92/25/690289225.db2.gz FRISZMOBKCKDMG-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759754 690461974 /nfs/dbraw/zinc/46/19/74/690461974.db2.gz QBUUGULORGKCKH-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038343270 690788712 /nfs/dbraw/zinc/78/87/12/690788712.db2.gz YOIYEDDKBLVAGI-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134006 691029794 /nfs/dbraw/zinc/02/97/94/691029794.db2.gz NQYUESBPMABGIB-ROUUACIJSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001039283131 691074408 /nfs/dbraw/zinc/07/44/08/691074408.db2.gz HMVKBPZKXRRNFV-OOHRUWKFSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039292881 691076016 /nfs/dbraw/zinc/07/60/16/691076016.db2.gz KRNCKUMMXPFINC-AYHJJNSGSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039307781 691078354 /nfs/dbraw/zinc/07/83/54/691078354.db2.gz ZBMSIMANCADYDK-OOKSDGMUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040211736 691214373 /nfs/dbraw/zinc/21/43/73/691214373.db2.gz YXPNETCOAWNONE-YQVWRLOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040241440 691219334 /nfs/dbraw/zinc/21/93/34/691219334.db2.gz OVKSYCIXRBJFEH-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733207 691283565 /nfs/dbraw/zinc/28/35/65/691283565.db2.gz QKWUYTZMBCUORI-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040948733 691300267 /nfs/dbraw/zinc/30/02/67/691300267.db2.gz XZLKSBARNJZCFX-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041342122 691362942 /nfs/dbraw/zinc/36/29/42/691362942.db2.gz COWCVYCYCHITOE-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041353852 691366023 /nfs/dbraw/zinc/36/60/23/691366023.db2.gz KOXFZZHMRLAESY-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433590 691375467 /nfs/dbraw/zinc/37/54/67/691375467.db2.gz ZVVOXVOJKWZUPW-MJGOQNOKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001041807981 691436012 /nfs/dbraw/zinc/43/60/12/691436012.db2.gz UWGXPNZARUQCOC-SFHVURJKSA-N 2 0 316.449 2.151 20 30 DEEDRP C=CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000883194676 691454055 /nfs/dbraw/zinc/45/40/55/691454055.db2.gz AKWGDPKUWDBVEK-ZWKOTPCHSA-N 2 0 309.498 2.116 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045543133 691994941 /nfs/dbraw/zinc/99/49/41/691994941.db2.gz BVQZRSWEBXBZBQ-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045619790 692006665 /nfs/dbraw/zinc/00/66/65/692006665.db2.gz KXLAHGOURJDLHE-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048817258 692703098 /nfs/dbraw/zinc/70/30/98/692703098.db2.gz LSRBTNFBZKYYJU-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001049001530 692740911 /nfs/dbraw/zinc/74/09/11/692740911.db2.gz XVPFCEWESNJQMC-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001049509407 692904672 /nfs/dbraw/zinc/90/46/72/692904672.db2.gz UCBQDZZLQGKOIY-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049553356 692919682 /nfs/dbraw/zinc/91/96/82/692919682.db2.gz UFPZATAGAPWOJI-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572760 692926429 /nfs/dbraw/zinc/92/64/29/692926429.db2.gz OFDZTRLFHHZDDU-MSOLQXFVSA-N 2 0 322.412 2.037 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637944 692948038 /nfs/dbraw/zinc/94/80/38/692948038.db2.gz JCHHKORSLYXAHX-JKSUJKDBSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806910 693006832 /nfs/dbraw/zinc/00/68/32/693006832.db2.gz PPEDWVDDNCZUSN-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001050122323 693114098 /nfs/dbraw/zinc/11/40/98/693114098.db2.gz QVDXVDBFCSUZCN-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1 ZINC000925892431 693360738 /nfs/dbraw/zinc/36/07/38/693360738.db2.gz ARXYYLFWTNEOSI-IAGOWNOFSA-N 2 0 313.449 2.123 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376875 693518956 /nfs/dbraw/zinc/51/89/56/693518956.db2.gz KFNBPZMKJCRKGI-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562441 693568358 /nfs/dbraw/zinc/56/83/58/693568358.db2.gz RLMBVFSGIQYSMX-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837178 693628892 /nfs/dbraw/zinc/62/88/92/693628892.db2.gz NNFBMXPEAVKJRP-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C[NH+](C)CC(C)(C)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001346136843 1150943672 /nfs/dbraw/zinc/94/36/72/1150943672.db2.gz RBNAYJIJDDAZRX-UHFFFAOYSA-N 2 0 302.422 2.064 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001402616866 1162411363 /nfs/dbraw/zinc/41/13/63/1162411363.db2.gz HGTLLWRLXSQNFF-AWEZNQCLSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001402831496 1162488082 /nfs/dbraw/zinc/48/80/82/1162488082.db2.gz UVDNKZYFYFRNFL-JXQTWKCFSA-N 2 0 301.862 2.096 20 30 DEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200607 1153265512 /nfs/dbraw/zinc/26/55/12/1153265512.db2.gz XMDOESCLKZTDMR-JCGIZDLHSA-N 2 0 301.434 2.254 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001399389211 1161373901 /nfs/dbraw/zinc/37/39/01/1161373901.db2.gz MNDXXEMVUJQPHQ-CABCVRRESA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001401089060 1161869975 /nfs/dbraw/zinc/86/99/75/1161869975.db2.gz SUGXCYNVWCZULV-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401279412 1161914036 /nfs/dbraw/zinc/91/40/36/1161914036.db2.gz DLEUVSZQJOZSAH-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001406706720 1164804644 /nfs/dbraw/zinc/80/46/44/1164804644.db2.gz BIAQTZUKACVDIW-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001421765710 1171978850 /nfs/dbraw/zinc/97/88/50/1171978850.db2.gz DZTIJBPDSCADKD-HIFRSBDPSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001424475995 1173802763 /nfs/dbraw/zinc/80/27/63/1173802763.db2.gz PTCZNFOLXVPJDL-UHFFFAOYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001436925785 1179304587 /nfs/dbraw/zinc/30/45/87/1179304587.db2.gz ALLHDBLHQPIPCF-SHTZXODSSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001444825521 1183575833 /nfs/dbraw/zinc/57/58/33/1183575833.db2.gz JRKGMNBIGQMPIT-ZFWWWQNUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001332827422 1149897296 /nfs/dbraw/zinc/89/72/96/1149897296.db2.gz XAGSBTMTWPRXAE-OAHLLOKOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106358310 782669823 /nfs/dbraw/zinc/66/98/23/782669823.db2.gz ZUXVECICGAYFLC-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336817 782785531 /nfs/dbraw/zinc/78/55/31/782785531.db2.gz YIXSYQSPQNQEFN-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 782796151 /nfs/dbraw/zinc/79/61/51/782796151.db2.gz PVUUTSGAYNCSKO-VSZNYVQBSA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419422 783085511 /nfs/dbraw/zinc/08/55/11/783085511.db2.gz GDBWDJTXCLMNJS-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C[C@H]1C ZINC000947435683 783135215 /nfs/dbraw/zinc/13/52/15/783135215.db2.gz BGQCGZCJMKXLNE-CVEARBPZSA-N 2 0 318.465 2.472 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104291725 776948337 /nfs/dbraw/zinc/94/83/37/776948337.db2.gz SFIYKPMKXZVPMU-NXHRZFHOSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167438526 777046658 /nfs/dbraw/zinc/04/66/58/777046658.db2.gz XEXYIITYRVODLX-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087317390 777780115 /nfs/dbraw/zinc/78/01/15/777780115.db2.gz HKHSXODSMATMTK-KBAYOESNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809498 778191598 /nfs/dbraw/zinc/19/15/98/778191598.db2.gz IEVLJUGFESQODI-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087712145 779418803 /nfs/dbraw/zinc/41/88/03/779418803.db2.gz QXOJVQCDABPVIX-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749369 779436000 /nfs/dbraw/zinc/43/60/00/779436000.db2.gz HTBCUGOMTISIMZ-GVDBMIGSSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796922 779454766 /nfs/dbraw/zinc/45/47/66/779454766.db2.gz QUTYCWQWJDVOJV-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001088358691 780025682 /nfs/dbraw/zinc/02/56/82/780025682.db2.gz ICLASCZLOOZCNE-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579705 780536504 /nfs/dbraw/zinc/53/65/04/780536504.db2.gz XWKFEGDQQMDEPQ-LTIDMASMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076161973 781152371 /nfs/dbraw/zinc/15/23/71/781152371.db2.gz XMBYMUMUZQAQSO-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP Cc1cc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)ccc1C#N ZINC001212320463 783446893 /nfs/dbraw/zinc/44/68/93/783446893.db2.gz KFSHKDHNQWBSGO-UHFFFAOYSA-N 2 0 311.389 2.006 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966102532 783563107 /nfs/dbraw/zinc/56/31/07/783563107.db2.gz JBJFREMEILSXFN-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001085253593 783606148 /nfs/dbraw/zinc/60/61/48/783606148.db2.gz WWISVVGNEDAHKU-IAGOWNOFSA-N 2 0 312.417 2.459 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904970 783810814 /nfs/dbraw/zinc/81/08/14/783810814.db2.gz WELFRONIBHKHHV-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205352 783906178 /nfs/dbraw/zinc/90/61/78/783906178.db2.gz KTKZGLCYBRUNMB-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686140 783964169 /nfs/dbraw/zinc/96/41/69/783964169.db2.gz KLLKLONGEKOWQT-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688588 783967016 /nfs/dbraw/zinc/96/70/16/783967016.db2.gz NQCXXYIYUUVTER-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778820 784067545 /nfs/dbraw/zinc/06/75/45/784067545.db2.gz IEXYDOOGEDZXGL-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917773 784212759 /nfs/dbraw/zinc/21/27/59/784212759.db2.gz KGMMVHLGMPEYCB-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085987698 784284337 /nfs/dbraw/zinc/28/43/37/784284337.db2.gz JJQDRIWDBPMIKM-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001091199384 791017007 /nfs/dbraw/zinc/01/70/07/791017007.db2.gz MNKROHHBLPGNLN-HTWSVDAQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417833 784373195 /nfs/dbraw/zinc/37/31/95/784373195.db2.gz GVBMONNIXMCNIL-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461043 784398987 /nfs/dbraw/zinc/39/89/87/784398987.db2.gz ZIQCFONVNWJTER-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925700 784654551 /nfs/dbraw/zinc/65/45/51/784654551.db2.gz KVRWSNRPGNITQW-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108751763 785524300 /nfs/dbraw/zinc/52/43/00/785524300.db2.gz ZDUCBXBRIFVJED-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108800496 785543418 /nfs/dbraw/zinc/54/34/18/785543418.db2.gz DRGIPJSDKBJZLK-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP 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 785799626 /nfs/dbraw/zinc/79/96/26/785799626.db2.gz SZVLCRKWAUCDEZ-MTSZKFMLSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146523 786417894 /nfs/dbraw/zinc/41/78/94/786417894.db2.gz FRNQOBZXXMWFET-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401999 786568350 /nfs/dbraw/zinc/56/83/50/786568350.db2.gz ZXPVWQVHDKGHAG-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014429561 786580901 /nfs/dbraw/zinc/58/09/01/786580901.db2.gz YYJUCIHBBDPAAS-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001113536191 786667526 /nfs/dbraw/zinc/66/75/26/786667526.db2.gz HWEKNAVXIHMBDJ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203332118 786838455 /nfs/dbraw/zinc/83/84/55/786838455.db2.gz LMMDJAURZVPCTM-IAGOWNOFSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001170235919 786860098 /nfs/dbraw/zinc/86/00/98/786860098.db2.gz BDUDRXLZXSUOAI-MOPGFXCFSA-N 2 0 321.509 2.236 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132892618 788219736 /nfs/dbraw/zinc/21/97/36/788219736.db2.gz HCJSJXGEXNDTIR-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132889239 788220128 /nfs/dbraw/zinc/22/01/28/788220128.db2.gz YPAUFWRQDFNDRQ-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP 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 788248230 /nfs/dbraw/zinc/24/82/30/788248230.db2.gz GOIHRPKPAVQGBS-VQHPVUNQSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133161728 788304192 /nfs/dbraw/zinc/30/41/92/788304192.db2.gz ADUOMBBJLVWNLP-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170750738 788918302 /nfs/dbraw/zinc/91/83/02/788918302.db2.gz MOVNILMHMPVJAJ-IRXDYDNUSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772726 789072959 /nfs/dbraw/zinc/07/29/59/789072959.db2.gz HFHUNYSTUFFEEH-OLZOCXBDSA-N 2 0 303.878 2.342 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675970 789443257 /nfs/dbraw/zinc/44/32/57/789443257.db2.gz OFKCFQQYYTVDOA-HZPDHXFCSA-N 2 0 315.461 2.258 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691196 789451350 /nfs/dbraw/zinc/45/13/50/789451350.db2.gz PUZFIBALZDEGFP-IRXDYDNUSA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600043 789803929 /nfs/dbraw/zinc/80/39/29/789803929.db2.gz FERLHGRTXHXIID-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071651455 789842098 /nfs/dbraw/zinc/84/20/98/789842098.db2.gz IWBPXWJZUPLNQF-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCC)C2)CC1 ZINC001072096007 790050412 /nfs/dbraw/zinc/05/04/12/790050412.db2.gz RYTLJSOFQCUFKP-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686078 791265524 /nfs/dbraw/zinc/26/55/24/791265524.db2.gz NHIQXGXGFITNNQ-BBWFWOEESA-N 2 0 307.482 2.404 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398475 791279537 /nfs/dbraw/zinc/27/95/37/791279537.db2.gz OZHBWQNSAZTPPM-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001146612052 791322323 /nfs/dbraw/zinc/32/23/23/791322323.db2.gz PDHSWMFUUGNLLM-IAGOWNOFSA-N 2 0 319.493 2.171 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001146610942 791322751 /nfs/dbraw/zinc/32/27/51/791322751.db2.gz LBXFCNJDYFSERX-HZPDHXFCSA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146712736 791347581 /nfs/dbraw/zinc/34/75/81/791347581.db2.gz FHIZKCWNGFGBFD-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147743132 791614923 /nfs/dbraw/zinc/61/49/23/791614923.db2.gz ZRUPCDWLOHDHBF-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148291798 791731495 /nfs/dbraw/zinc/73/14/95/791731495.db2.gz CKRVGZLGTLPRBE-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099111319 792100687 /nfs/dbraw/zinc/10/06/87/792100687.db2.gz YSHPXVGEYAMZFV-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001092762647 792126241 /nfs/dbraw/zinc/12/62/41/792126241.db2.gz GNSDIFJTPXPMSX-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782446 792135414 /nfs/dbraw/zinc/13/54/14/792135414.db2.gz NIQYYNVKFPDDPZ-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100377949 792620226 /nfs/dbraw/zinc/62/02/26/792620226.db2.gz PQNQMNZAVHXQDQ-UYSNPLJNSA-N 2 0 313.461 2.117 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094379934 792898813 /nfs/dbraw/zinc/89/88/13/792898813.db2.gz HCJKQYSKPUZQKP-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171668097 793165353 /nfs/dbraw/zinc/16/53/53/793165353.db2.gz AIWMHLXYHYPFJM-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171918721 793250454 /nfs/dbraw/zinc/25/04/54/793250454.db2.gz SCBMTZYYPWOOAO-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP COCCC[NH+]1CCC([NH2+]CCOc2cccc(C#N)c2)CC1 ZINC001172247086 793386195 /nfs/dbraw/zinc/38/61/95/793386195.db2.gz CYAUAXYKQYQUSD-UHFFFAOYSA-N 2 0 317.433 2.028 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051693 793488375 /nfs/dbraw/zinc/48/83/75/793488375.db2.gz GQMKCPJWQNSJRQ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001094953204 793506081 /nfs/dbraw/zinc/50/60/81/793506081.db2.gz AQGZOBUAZFCQQN-ULQDDVLXSA-N 2 0 317.477 2.160 20 30 DEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102103128 793506338 /nfs/dbraw/zinc/50/63/38/793506338.db2.gz DRRUORQHXLZULA-TZMCWYRMSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCN1CCC[C@H]([NH2+]C2CCC([NH+](CC)CC)CC2)C1=O ZINC001173107391 793581605 /nfs/dbraw/zinc/58/16/05/793581605.db2.gz QBLAODNASAFOJR-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368131 793587658 /nfs/dbraw/zinc/58/76/58/793587658.db2.gz GJNKGLMBAVXCQX-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174442 793969539 /nfs/dbraw/zinc/96/95/39/793969539.db2.gz NLYDVLFPXNPLLU-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263466 794171905 /nfs/dbraw/zinc/17/19/05/794171905.db2.gz PXIXXBQQTHCJRI-ZFWWWQNUSA-N 2 0 315.889 2.345 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001175747463 794277571 /nfs/dbraw/zinc/27/75/71/794277571.db2.gz PIWVCRVFDUVPGS-DLBZAZTESA-N 2 0 309.498 2.251 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176573996 794459974 /nfs/dbraw/zinc/45/99/74/794459974.db2.gz PSOCDWHVUKYXNF-CQSZACIVSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001112410933 794627474 /nfs/dbraw/zinc/62/74/74/794627474.db2.gz XSZUJOUABGZFPO-SCTDSRPQSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+](CC)CC ZINC001177445237 794678123 /nfs/dbraw/zinc/67/81/23/794678123.db2.gz DUJWQKJQCZXBBG-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177485403 794680860 /nfs/dbraw/zinc/68/08/60/794680860.db2.gz ZIHCXAPLJOAKDU-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579557 794828696 /nfs/dbraw/zinc/82/86/96/794828696.db2.gz UKAPIZWGWLMGOB-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648300 794858932 /nfs/dbraw/zinc/85/89/32/794858932.db2.gz KCMAXCRZQFNDMR-QGZVFWFLSA-N 2 0 319.493 2.456 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115787186 794920181 /nfs/dbraw/zinc/92/01/81/794920181.db2.gz OBSHYULDBJKEEM-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178889284 795020489 /nfs/dbraw/zinc/02/04/89/795020489.db2.gz RUKWYIXBSUPHTD-UHFFFAOYSA-N 2 0 318.465 2.360 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788174 795176391 /nfs/dbraw/zinc/17/63/91/795176391.db2.gz PPCISGKUKLKWIP-IRXDYDNUSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899489 795393247 /nfs/dbraw/zinc/39/32/47/795393247.db2.gz NBXLUIAFBIQFCX-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130339 795410375 /nfs/dbraw/zinc/41/03/75/795410375.db2.gz WYHYQSSUXUSNBF-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001182346141 795654034 /nfs/dbraw/zinc/65/40/34/795654034.db2.gz KZFUVBBPLGDEDW-ZHALLVOQSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082110 795796762 /nfs/dbraw/zinc/79/67/62/795796762.db2.gz JRVJYHHAINZESD-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC001183399251 795864896 /nfs/dbraw/zinc/86/48/96/795864896.db2.gz QJYPBAABXLWSEY-CRAIPNDOSA-N 2 0 318.465 2.232 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230147 796008158 /nfs/dbraw/zinc/00/81/58/796008158.db2.gz KKPRURJGSZYCEI-JKSUJKDBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184714337 796108891 /nfs/dbraw/zinc/10/88/91/796108891.db2.gz XMDBFRQUBRIJOI-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184726165 796116488 /nfs/dbraw/zinc/11/64/88/796116488.db2.gz VEMKLJGEXDLLOK-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185029883 796174267 /nfs/dbraw/zinc/17/42/67/796174267.db2.gz JCFRWQPOHPZAFQ-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185029374 796174629 /nfs/dbraw/zinc/17/46/29/796174629.db2.gz HICZWAFWAFSAGR-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171771 796202152 /nfs/dbraw/zinc/20/21/52/796202152.db2.gz XYXPPFSJBOANTN-SJORKVTESA-N 2 0 321.509 2.062 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185170484 796202200 /nfs/dbraw/zinc/20/22/00/796202200.db2.gz PWIMLBFHQFSJDS-CVEARBPZSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185379259 796244396 /nfs/dbraw/zinc/24/43/96/796244396.db2.gz AZWRKRQYFYSNQU-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001187135560 796492375 /nfs/dbraw/zinc/49/23/75/796492375.db2.gz VDWCCDVFWSKKHU-HUUCEWRRSA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203036671 796520762 /nfs/dbraw/zinc/52/07/62/796520762.db2.gz PYDYXZXKFTURRI-SJORKVTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203036670 796521056 /nfs/dbraw/zinc/52/10/56/796521056.db2.gz PYDYXZXKFTURRI-IRXDYDNUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188099131 796626893 /nfs/dbraw/zinc/62/68/93/796626893.db2.gz IBBPYAIIZCZXFI-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161213042 796676557 /nfs/dbraw/zinc/67/65/57/796676557.db2.gz DRSHLKYQIGPRHR-QGZVFWFLSA-N 2 0 307.482 2.431 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159614 796776699 /nfs/dbraw/zinc/77/66/99/796776699.db2.gz BRJCTJBGDLUGKC-DLBZAZTESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325146 796980729 /nfs/dbraw/zinc/98/07/29/796980729.db2.gz ULSDVGGBGUZYBL-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203731398 797116256 /nfs/dbraw/zinc/11/62/56/797116256.db2.gz NZAGQTFIXIKVJX-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153653970 797371711 /nfs/dbraw/zinc/37/17/11/797371711.db2.gz LLMGZWZLGJXYOR-CVEARBPZSA-N 2 0 315.477 2.459 20 30 DEEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192907568 797469501 /nfs/dbraw/zinc/46/95/01/797469501.db2.gz YDVUEHUYLZUUIX-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001193389335 797557056 /nfs/dbraw/zinc/55/70/56/797557056.db2.gz BCZBEXKYLPHBSV-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203792342 797708451 /nfs/dbraw/zinc/70/84/51/797708451.db2.gz OSSASHFPWMLTIL-HZPDHXFCSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194421324 797725142 /nfs/dbraw/zinc/72/51/42/797725142.db2.gz ZVQPHWXJPLGRMI-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001196171126 798016388 /nfs/dbraw/zinc/01/63/88/798016388.db2.gz JHYARPXHOHWKMR-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196641772 798082373 /nfs/dbraw/zinc/08/23/73/798082373.db2.gz PXSPPDBENAJDQB-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086361 798141179 /nfs/dbraw/zinc/14/11/79/798141179.db2.gz PXBXWACJCWLNMI-MRXNPFEDSA-N 2 0 315.461 2.212 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119955 798650386 /nfs/dbraw/zinc/65/03/86/798650386.db2.gz HYPCVLRRKAKLDA-QGZVFWFLSA-N 2 0 305.466 2.184 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617275 798713104 /nfs/dbraw/zinc/71/31/04/798713104.db2.gz LDVHGKNUKZGWSU-UHFFFAOYSA-N 2 0 322.412 2.110 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3ccc(O)cc3C#N)cc[nH+]2)CC1 ZINC001201667611 798780679 /nfs/dbraw/zinc/78/06/79/798780679.db2.gz VTOBNMGKGMJGAL-UHFFFAOYSA-N 2 0 309.373 2.154 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161027901 798782879 /nfs/dbraw/zinc/78/28/79/798782879.db2.gz AHRCDXGFTRLCQT-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161102198 798795464 /nfs/dbraw/zinc/79/54/64/798795464.db2.gz XGTLCDUUOZLURS-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201936004 798809053 /nfs/dbraw/zinc/80/90/53/798809053.db2.gz SXEPLSLWYSMENY-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161750040 798928650 /nfs/dbraw/zinc/92/86/50/798928650.db2.gz UPUDWMJSVLSCKS-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161862743 798951890 /nfs/dbraw/zinc/95/18/90/798951890.db2.gz JGVGOPDYUNFQPR-SJLPKXTDSA-N 2 0 319.493 2.431 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938435 798973252 /nfs/dbraw/zinc/97/32/52/798973252.db2.gz MNKGJOZYRHRHNH-UHFFFAOYSA-N 2 0 317.477 2.024 20 30 DEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162960155 799208290 /nfs/dbraw/zinc/20/82/90/799208290.db2.gz MNBMUBCSEOIIRU-UHFFFAOYSA-N 2 0 317.477 2.175 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163231906 799284446 /nfs/dbraw/zinc/28/44/46/799284446.db2.gz JOQIFGDSKRXDAJ-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165314188 799703049 /nfs/dbraw/zinc/70/30/49/799703049.db2.gz INXOOPOHZNOHBY-HNNXBMFYSA-N 2 0 313.461 2.119 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165492675 799736623 /nfs/dbraw/zinc/73/66/23/799736623.db2.gz ZKUCPYGBKNYOEL-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203613822 800089839 /nfs/dbraw/zinc/08/98/39/800089839.db2.gz FREYWBVACOXZOC-HZPDHXFCSA-N 2 0 317.477 2.065 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203651175 800099255 /nfs/dbraw/zinc/09/92/55/800099255.db2.gz LWQVCIVBHDTMDB-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203649321 800099524 /nfs/dbraw/zinc/09/95/24/800099524.db2.gz AJRCLHOOMXRZRH-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCCCC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203708640 800109941 /nfs/dbraw/zinc/10/99/41/800109941.db2.gz BLJVBNHTCNNYEJ-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203780183 800121263 /nfs/dbraw/zinc/12/12/63/800121263.db2.gz DVWLVUXDBQSBNW-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284929 800336633 /nfs/dbraw/zinc/33/66/33/800336633.db2.gz UGJMJKLIDJKYLX-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2cc(C#N)ccc21 ZINC001206200081 800488773 /nfs/dbraw/zinc/48/87/73/800488773.db2.gz QBDTXQJSGCETRA-HZPDHXFCSA-N 2 0 300.381 2.311 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206482593 800540752 /nfs/dbraw/zinc/54/07/52/800540752.db2.gz VMKQWBXQLRTQJH-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206487363 800541846 /nfs/dbraw/zinc/54/18/46/800541846.db2.gz CXKRMZIHDCGCQG-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCOc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1OC ZINC001206615500 800565827 /nfs/dbraw/zinc/56/58/27/800565827.db2.gz GJCXYBRNOHZEJS-INIZCTEOSA-N 2 0 302.418 2.268 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207279124 800720851 /nfs/dbraw/zinc/72/08/51/800720851.db2.gz BXZANHOSTOWCJK-SFHVURJKSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684023 800807209 /nfs/dbraw/zinc/80/72/09/800807209.db2.gz JSEUJEWQYUMTLX-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001208678041 801045534 /nfs/dbraw/zinc/04/55/34/801045534.db2.gz DPNXUYODFMSOHJ-JKSUJKDBSA-N 2 0 318.465 2.288 20 30 DEEDRP C=CCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209424956 801190314 /nfs/dbraw/zinc/19/03/14/801190314.db2.gz XMMKPBOKONYGLA-UHFFFAOYSA-N 2 0 318.465 2.257 20 30 DEEDRP C=CCCCCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230046724 801355466 /nfs/dbraw/zinc/35/54/66/801355466.db2.gz IGJMORNHJIPWDJ-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230334982 801389186 /nfs/dbraw/zinc/38/91/86/801389186.db2.gz HRGRMFTYNNJOTN-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598219 801432660 /nfs/dbraw/zinc/43/26/60/801432660.db2.gz IESPADSZPITMKY-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773438 801461491 /nfs/dbraw/zinc/46/14/91/801461491.db2.gz JBOLUJNYFNXLGR-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367099 801556296 /nfs/dbraw/zinc/55/62/96/801556296.db2.gz NXVCZWKMJKJLEA-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216836005 802030540 /nfs/dbraw/zinc/03/05/40/802030540.db2.gz SBCRMQWSRQVSSB-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1c(C#N)oc2ccccc21 ZINC001218627500 802217486 /nfs/dbraw/zinc/21/74/86/802217486.db2.gz FFGXMAPFIDWJMR-ZDUSSCGKSA-N 2 0 314.389 2.302 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642792 802439616 /nfs/dbraw/zinc/43/96/16/802439616.db2.gz KWWOPERXFYTIKG-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001222050725 802635461 /nfs/dbraw/zinc/63/54/61/802635461.db2.gz DNLPFAOOSVMODT-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001223945488 802824952 /nfs/dbraw/zinc/82/49/52/802824952.db2.gz SVVOSWHOGYLPOJ-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001224326698 802858171 /nfs/dbraw/zinc/85/81/71/802858171.db2.gz SVFLKLJLTDNADF-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739489 802900046 /nfs/dbraw/zinc/90/00/46/802900046.db2.gz NWRXHZRTRJBECI-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226296580 803084046 /nfs/dbraw/zinc/08/40/46/803084046.db2.gz LCKDFZBZLNCYBV-RCCFBDPRSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226830103 803166093 /nfs/dbraw/zinc/16/60/93/803166093.db2.gz BXIBGZDTYLGUPT-IAGOWNOFSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CCc2ncc[nH]2)CC1 ZINC001227138027 803206582 /nfs/dbraw/zinc/20/65/82/803206582.db2.gz GUOIIIFOYXIGDY-AWEZNQCLSA-N 2 0 304.438 2.278 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001228190669 803330579 /nfs/dbraw/zinc/33/05/79/803330579.db2.gz ZCXUBVYWHREIQN-MWDXBVQZSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368335769 1148416966 /nfs/dbraw/zinc/41/69/66/1148416966.db2.gz JDLQDSKBMYKAQT-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001328738792 1148830422 /nfs/dbraw/zinc/83/04/22/1148830422.db2.gz YPUNORFEGSTSDP-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328749197 1148831145 /nfs/dbraw/zinc/83/11/45/1148831145.db2.gz KANRXGUHSGIRPO-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001328796099 1148835862 /nfs/dbraw/zinc/83/58/62/1148835862.db2.gz GUFWGKGRNUGTBH-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001499955500 1058400973 /nfs/dbraw/zinc/40/09/73/1058400973.db2.gz SPTURVBTFDWKMY-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001500088060 1058483763 /nfs/dbraw/zinc/48/37/63/1058483763.db2.gz IPLQPURUOKYUDC-IRXDYDNUSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001501677236 1059629485 /nfs/dbraw/zinc/62/94/85/1059629485.db2.gz VEJCEYCAGGAQKU-OAHLLOKOSA-N 2 0 313.445 2.071 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001502150160 1060003473 /nfs/dbraw/zinc/00/34/73/1060003473.db2.gz NOWZOKCVZKPNSY-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001502366100 1060077364 /nfs/dbraw/zinc/07/73/64/1060077364.db2.gz WSRUIRYGUPFBNQ-KRWDZBQOSA-N 2 0 309.498 2.465 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001502953292 1060408987 /nfs/dbraw/zinc/40/89/87/1060408987.db2.gz VLYDHACQSGWOIW-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP CC(C)CC[NH+]1CCC([NH2+]CCNc2ncccc2C#N)CC1 ZINC001474761149 1060935010 /nfs/dbraw/zinc/93/50/10/1060935010.db2.gz CXENFAIBOSUZRH-UHFFFAOYSA-N 2 0 315.465 2.465 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001479871201 1061959411 /nfs/dbraw/zinc/95/94/11/1061959411.db2.gz ZIQDQFAPQDPXOI-UHFFFAOYSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480299517 1062605821 /nfs/dbraw/zinc/60/58/21/1062605821.db2.gz DDPHYCMKEXZZKE-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480333092 1062668950 /nfs/dbraw/zinc/66/89/50/1062668950.db2.gz QMOKPBNLSCTXKD-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480381526 1062759903 /nfs/dbraw/zinc/75/99/03/1062759903.db2.gz CTPPQZKNBMKCAO-SJORKVTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387877 1062776183 /nfs/dbraw/zinc/77/61/83/1062776183.db2.gz UVSVOZNXXWVCNR-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480785797 1063342415 /nfs/dbraw/zinc/34/24/15/1063342415.db2.gz IXFMSEPRXIZJPZ-AEFFLSMTSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001508110299 1063562090 /nfs/dbraw/zinc/56/20/90/1063562090.db2.gz BLUTWUIYVUJCTI-UHFFFAOYSA-N 2 0 319.474 2.026 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001493894213 1064013866 /nfs/dbraw/zinc/01/38/66/1064013866.db2.gz JJOVJAHKKOUFTR-KRWDZBQOSA-N 2 0 313.445 2.248 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001494077938 1064115418 /nfs/dbraw/zinc/11/54/18/1064115418.db2.gz DFRCFQWMWNDNMT-SFHVURJKSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001494195613 1064167854 /nfs/dbraw/zinc/16/78/54/1064167854.db2.gz IAWLGWBNPGMQJR-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001567660315 1064325651 /nfs/dbraw/zinc/32/56/51/1064325651.db2.gz YCPFVOBJYNWDKW-MRXNPFEDSA-N 2 0 301.434 2.104 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001567692492 1064349150 /nfs/dbraw/zinc/34/91/50/1064349150.db2.gz BTKSTKQZLSAASZ-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001567862398 1064467606 /nfs/dbraw/zinc/46/76/06/1064467606.db2.gz JFPNLVLDQBKVCC-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001568107563 1064649232 /nfs/dbraw/zinc/64/92/32/1064649232.db2.gz HEIWBCGTOYERMA-BZSNNMDCSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001568112459 1064652576 /nfs/dbraw/zinc/65/25/76/1064652576.db2.gz ZANSNENYGPEHCW-BZSNNMDCSA-N 2 0 319.493 2.290 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001568387337 1064829363 /nfs/dbraw/zinc/82/93/63/1064829363.db2.gz UWKLSYDPYMMUHM-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001568452694 1064881827 /nfs/dbraw/zinc/88/18/27/1064881827.db2.gz IWLNBVGMGWYKOD-QZTJIDSGSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001495505823 1064953182 /nfs/dbraw/zinc/95/31/82/1064953182.db2.gz RQBXBAYREOSCPF-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568632513 1065008680 /nfs/dbraw/zinc/00/86/80/1065008680.db2.gz MFVMDXHUHSDRGR-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568632713 1065009430 /nfs/dbraw/zinc/00/94/30/1065009430.db2.gz PDNAPUKTWPLMII-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496297125 1065391214 /nfs/dbraw/zinc/39/12/14/1065391214.db2.gz SIBPNVVISXOYQZ-ROUUACIJSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001496338112 1065414432 /nfs/dbraw/zinc/41/44/32/1065414432.db2.gz AWJLRHVWXSQTOH-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC ZINC001569343665 1065443006 /nfs/dbraw/zinc/44/30/06/1065443006.db2.gz XOIWGDCHFQLVHK-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCC)CC1 ZINC001496425173 1065463644 /nfs/dbraw/zinc/46/36/44/1065463644.db2.gz CZSXVSYTUUEMOJ-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001569451562 1065515275 /nfs/dbraw/zinc/51/52/75/1065515275.db2.gz CDBUZMXSPMBRNE-UHFFFAOYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001569455569 1065516653 /nfs/dbraw/zinc/51/66/53/1065516653.db2.gz RDESAYYSOJIDQQ-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001569801835 1065726813 /nfs/dbraw/zinc/72/68/13/1065726813.db2.gz IXDIFSJSXXJSHQ-QZTJIDSGSA-N 2 0 315.461 2.276 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001569813833 1065735019 /nfs/dbraw/zinc/73/50/19/1065735019.db2.gz NAYYJPPXBJFTKD-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001569813834 1065735055 /nfs/dbraw/zinc/73/50/55/1065735055.db2.gz NAYYJPPXBJFTKD-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569828218 1065750002 /nfs/dbraw/zinc/75/00/02/1065750002.db2.gz HRCQMUSMGLBGDN-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001570513658 1066102161 /nfs/dbraw/zinc/10/21/61/1066102161.db2.gz XRWVDNOIXWTUCF-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC001576182288 1066512840 /nfs/dbraw/zinc/51/28/40/1066512840.db2.gz URBQIXLFASTIJQ-XIRDDKMYSA-N 2 0 316.449 2.205 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001483445495 1078538181 /nfs/dbraw/zinc/53/81/81/1078538181.db2.gz XVLIYBUKAMIEHO-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP CCCCCCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001671188393 1078609255 /nfs/dbraw/zinc/60/92/55/1078609255.db2.gz PSFBFRDFHQFCRO-MRXNPFEDSA-N 2 0 309.498 2.441 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001570621818 1068039957 /nfs/dbraw/zinc/03/99/57/1068039957.db2.gz OXFJYVNDMPCQQW-HOTGVXAUSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001570710069 1068084507 /nfs/dbraw/zinc/08/45/07/1068084507.db2.gz ASXDWQVIIAAVQX-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H](CCN(C)C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001570779511 1068115904 /nfs/dbraw/zinc/11/59/04/1068115904.db2.gz OXNOIBBCJJAMRQ-SFHVURJKSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001570826949 1068130747 /nfs/dbraw/zinc/13/07/47/1068130747.db2.gz HJZHUNGJDKOCPY-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001267201906 1078661211 /nfs/dbraw/zinc/66/12/11/1078661211.db2.gz UNGHZAXBZQTNDH-SJLPKXTDSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001571017376 1068174546 /nfs/dbraw/zinc/17/45/46/1068174546.db2.gz ZBKZLZQLPWPGPS-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001571129405 1068184977 /nfs/dbraw/zinc/18/49/77/1068184977.db2.gz GSHWYBYITJLKIB-QBPKDAKJSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001571326488 1068223037 /nfs/dbraw/zinc/22/30/37/1068223037.db2.gz VRLYNGKUHIDHDM-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001571373882 1068256578 /nfs/dbraw/zinc/25/65/78/1068256578.db2.gz QJUDRJZCKFLTOG-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001571373883 1068257807 /nfs/dbraw/zinc/25/78/07/1068257807.db2.gz QJUDRJZCKFLTOG-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001571550366 1068415365 /nfs/dbraw/zinc/41/53/65/1068415365.db2.gz ODCAXXHITMETKL-ROUUACIJSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001571557787 1068418906 /nfs/dbraw/zinc/41/89/06/1068418906.db2.gz VRMSESNULUFEAM-IAGOWNOFSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001571639551 1068454062 /nfs/dbraw/zinc/45/40/62/1068454062.db2.gz QPKIDQQLJVLOFK-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001267274048 1078720703 /nfs/dbraw/zinc/72/07/03/1078720703.db2.gz QDFBBOYNINQZGP-HNNXBMFYSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001267279421 1078724930 /nfs/dbraw/zinc/72/49/30/1078724930.db2.gz FHDOIMXGYWGQLU-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC1(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)C[NH2+]C1 ZINC001574879975 1069284820 /nfs/dbraw/zinc/28/48/20/1069284820.db2.gz IQRVPWZOHRGYND-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001548702254 1072816166 /nfs/dbraw/zinc/81/61/66/1072816166.db2.gz GSVKGPIENZDHHC-LZLYRXPVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001649433062 1079115946 /nfs/dbraw/zinc/11/59/46/1079115946.db2.gz FTRGGCSFPVQKOB-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001481061372 1079141641 /nfs/dbraw/zinc/14/16/41/1079141641.db2.gz VXFPNHRBPIEOGG-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481098606 1079181737 /nfs/dbraw/zinc/18/17/37/1079181737.db2.gz CUIZCRKUUYCQKJ-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1CC[NH+](C(C)C)CC1 ZINC001483987236 1079226890 /nfs/dbraw/zinc/22/68/90/1079226890.db2.gz ISPDNYMYVKJMPV-SFHVURJKSA-N 2 0 321.509 2.441 20 30 DEEDRP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCCC)CC1 ZINC001483986279 1079227482 /nfs/dbraw/zinc/22/74/82/1079227482.db2.gz BKAPAIXBAIIOPP-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001496300099 1079245523 /nfs/dbraw/zinc/24/55/23/1079245523.db2.gz IVYAMDNGLXZAER-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH+]1CCC(C)(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001484147727 1079324536 /nfs/dbraw/zinc/32/45/36/1079324536.db2.gz XCAIBQHCRJSJED-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001566743688 1074997625 /nfs/dbraw/zinc/99/76/25/1074997625.db2.gz PPBJJSHZDFZNIY-MSOLQXFVSA-N 2 0 321.509 2.301 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001565921527 1075077686 /nfs/dbraw/zinc/07/76/86/1075077686.db2.gz HNJFNKZFGCATBC-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001566739281 1075330630 /nfs/dbraw/zinc/33/06/30/1075330630.db2.gz WRFNGSQPTBZRJI-INIZCTEOSA-N 2 0 324.428 2.060 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001566748503 1075334251 /nfs/dbraw/zinc/33/42/51/1075334251.db2.gz FIYWTBNFKBIXON-WCXIOVBPSA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001566808919 1075350146 /nfs/dbraw/zinc/35/01/46/1075350146.db2.gz FSDBWRXHQRAIOV-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001566913236 1075383145 /nfs/dbraw/zinc/38/31/45/1075383145.db2.gz NTFWAFUSMXUAGG-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567128344 1075438116 /nfs/dbraw/zinc/43/81/16/1075438116.db2.gz NYVZDNKHSXNGPL-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001567155161 1075447019 /nfs/dbraw/zinc/44/70/19/1075447019.db2.gz MZCNSABAIUPBCT-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001567178468 1075454655 /nfs/dbraw/zinc/45/46/55/1075454655.db2.gz OHTYRSUBTNAUBE-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267790527 1079498005 /nfs/dbraw/zinc/49/80/05/1079498005.db2.gz QDUAUIMXBVBAFK-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267807162 1079508608 /nfs/dbraw/zinc/50/86/08/1079508608.db2.gz SQJZJYYKWKHUAD-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267807160 1079508628 /nfs/dbraw/zinc/50/86/28/1079508628.db2.gz SQJZJYYKWKHUAD-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)C2 ZINC001484390024 1079579812 /nfs/dbraw/zinc/57/98/12/1079579812.db2.gz DGNQEKZWJYGAPT-BJWYYQGGSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1ccnc1)C2 ZINC001484391244 1079581476 /nfs/dbraw/zinc/58/14/76/1079581476.db2.gz JKBGMPZYWUIUAB-BJWYYQGGSA-N 2 0 316.449 2.209 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267897001 1079583154 /nfs/dbraw/zinc/58/31/54/1079583154.db2.gz HLAFTBYOZAHPOH-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001267956563 1079636384 /nfs/dbraw/zinc/63/63/84/1079636384.db2.gz DEZVWDQNMHBCCE-OAHLLOKOSA-N 2 0 319.474 2.027 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001267956875 1079636532 /nfs/dbraw/zinc/63/65/32/1079636532.db2.gz JOLVREGRWHLUSX-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001484526506 1079640534 /nfs/dbraw/zinc/64/05/34/1079640534.db2.gz FWKIWIMEGDDABT-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001481344052 1079737387 /nfs/dbraw/zinc/73/73/87/1079737387.db2.gz TZIWDLGCZSIMLL-OAHLLOKOSA-N 2 0 318.465 2.374 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001481355955 1079752283 /nfs/dbraw/zinc/75/22/83/1079752283.db2.gz FMWVZJPVCNWHON-SFHVURJKSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001484742678 1079760430 /nfs/dbraw/zinc/76/04/30/1079760430.db2.gz KLTUJHACGXPRMN-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819683 1079813302 /nfs/dbraw/zinc/81/33/02/1079813302.db2.gz TXCQNRZIZSJFLL-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001485031543 1079924969 /nfs/dbraw/zinc/92/49/69/1079924969.db2.gz QCIXYNNXKOYWKK-KRWDZBQOSA-N 2 0 309.498 2.319 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481504024 1079964272 /nfs/dbraw/zinc/96/42/72/1079964272.db2.gz KFYDAKWQWJCWKU-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485162476 1080032991 /nfs/dbraw/zinc/03/29/91/1080032991.db2.gz IAJWWZPXTWVJKI-HUUCEWRRSA-N 2 0 307.482 2.146 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001485230264 1080078236 /nfs/dbraw/zinc/07/82/36/1080078236.db2.gz RPLBJUCQQZGKHU-HUUCEWRRSA-N 2 0 303.450 2.421 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001656386133 1080083083 /nfs/dbraw/zinc/08/30/83/1080083083.db2.gz KOMWMFWPUZPDGZ-GVDBMIGSSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001656909882 1080138789 /nfs/dbraw/zinc/13/87/89/1080138789.db2.gz SIPPSGMVSQHFTH-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001268174485 1080164148 /nfs/dbraw/zinc/16/41/48/1080164148.db2.gz RDMWEIASJPUZBQ-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)[C@H](CO)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067747 1080260636 /nfs/dbraw/zinc/26/06/36/1080260636.db2.gz ZLBFMPAVYVLJKA-QYZOEREBSA-N 2 0 300.446 2.377 20 30 DEEDRP C=CCCC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485582530 1080313442 /nfs/dbraw/zinc/31/34/42/1080313442.db2.gz QNTDTCUXWVCKNG-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001485582219 1080313818 /nfs/dbraw/zinc/31/38/18/1080313818.db2.gz MXVNBXAIQCWXGB-HZPDHXFCSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494054529 1080371336 /nfs/dbraw/zinc/37/13/36/1080371336.db2.gz KMNPSTYBGUGCIQ-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001268376609 1080396144 /nfs/dbraw/zinc/39/61/44/1080396144.db2.gz CBLNJFHMLKXXFE-ZDUSSCGKSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001272701371 1080444765 /nfs/dbraw/zinc/44/47/65/1080444765.db2.gz WANFPONRMOUNFH-RDJZCZTQSA-N 2 0 315.461 2.481 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001661142342 1080447381 /nfs/dbraw/zinc/44/73/81/1080447381.db2.gz JPSVIDAXAQTTGO-DLBZAZTESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661216477 1080459287 /nfs/dbraw/zinc/45/92/87/1080459287.db2.gz QTCCXLCBLLZVMH-IAGOWNOFSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037443 1080551789 /nfs/dbraw/zinc/55/17/89/1080551789.db2.gz HDPFXVPGFIFIOU-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268472874 1080576428 /nfs/dbraw/zinc/57/64/28/1080576428.db2.gz IBGKQLPKXSPZJO-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001662426472 1080607808 /nfs/dbraw/zinc/60/78/08/1080607808.db2.gz XUMXOAKLNHYXMM-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662863824 1080668992 /nfs/dbraw/zinc/66/89/92/1080668992.db2.gz ZPNCXFDUEWYPDD-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001482021880 1080696446 /nfs/dbraw/zinc/69/64/46/1080696446.db2.gz LMJZOWKMHRFJAZ-KZNAEPCWSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001663777554 1080815143 /nfs/dbraw/zinc/81/51/43/1080815143.db2.gz OQPXXMVESDSGMD-IYBDPMFKSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001664442682 1080910887 /nfs/dbraw/zinc/91/08/87/1080910887.db2.gz NUQNWCUABBLHHQ-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001664457435 1080912302 /nfs/dbraw/zinc/91/23/02/1080912302.db2.gz OGVQSLAJGPZEIU-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664818266 1080966439 /nfs/dbraw/zinc/96/64/39/1080966439.db2.gz RKFXCOMRHKPMER-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001268988055 1081077119 /nfs/dbraw/zinc/07/71/19/1081077119.db2.gz KPHGUZJJPCNAKO-ULQDDVLXSA-N 2 0 307.482 2.194 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC)C2)CC1 ZINC001269097141 1081115149 /nfs/dbraw/zinc/11/51/49/1081115149.db2.gz RHRUICSKLLLSAL-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001667498154 1081258271 /nfs/dbraw/zinc/25/82/71/1081258271.db2.gz IORSDEWXCSBIGJ-SJORKVTESA-N 2 0 307.482 2.003 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222459 1081259661 /nfs/dbraw/zinc/25/96/61/1081259661.db2.gz LRBKJSKSPAYODY-CVEARBPZSA-N 2 0 305.466 2.208 20 30 DEEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001668324885 1081341660 /nfs/dbraw/zinc/34/16/60/1081341660.db2.gz DRZDMQDQZUDTBD-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001270150954 1081460991 /nfs/dbraw/zinc/46/09/91/1081460991.db2.gz RRARSZTWOHVJQS-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001270263256 1081489065 /nfs/dbraw/zinc/48/90/65/1081489065.db2.gz HHEIRAJUWCVCDK-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC)CC1 ZINC001671476916 1081518911 /nfs/dbraw/zinc/51/89/11/1081518911.db2.gz ATZMJZFNUAOCSJ-GOSISDBHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001671887257 1081546024 /nfs/dbraw/zinc/54/60/24/1081546024.db2.gz KWNMDTWNVIEOOJ-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001673218274 1081747147 /nfs/dbraw/zinc/74/71/47/1081747147.db2.gz JGMWEIQEMASUTJ-CVEARBPZSA-N 2 0 305.466 2.208 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001673242195 1081748981 /nfs/dbraw/zinc/74/89/81/1081748981.db2.gz SMAZJUIWCSHEAD-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095862563 1081775011 /nfs/dbraw/zinc/77/50/11/1081775011.db2.gz RIUSBDZVOLMRPQ-PMPSAXMXSA-N 2 0 305.466 2.158 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001482411732 1081800432 /nfs/dbraw/zinc/80/04/32/1081800432.db2.gz AAECLBWSIKLVLM-MSOLQXFVSA-N 2 0 321.509 2.251 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001674001566 1081822327 /nfs/dbraw/zinc/82/23/27/1081822327.db2.gz ILDUHXXRPLCABA-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001266489125 1082071262 /nfs/dbraw/zinc/07/12/62/1082071262.db2.gz XCTUDJODCIJHIG-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271665633 1082104717 /nfs/dbraw/zinc/10/47/17/1082104717.db2.gz MAIYQSVJOZDENU-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001271907186 1082188767 /nfs/dbraw/zinc/18/87/67/1082188767.db2.gz CBJLGUMJQOLMIW-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001670640937 1082202086 /nfs/dbraw/zinc/20/20/86/1082202086.db2.gz KXUQPCDBRCHPEG-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001271953400 1082206287 /nfs/dbraw/zinc/20/62/87/1082206287.db2.gz DPUCCTXYIVLDOW-HDICACEKSA-N 2 0 317.477 2.256 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001266613737 1082210853 /nfs/dbraw/zinc/21/08/53/1082210853.db2.gz DMQRYOLLAOVEIB-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266770133 1082332640 /nfs/dbraw/zinc/33/26/40/1082332640.db2.gz PEPOUTUKOAXTLN-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266841896 1082383949 /nfs/dbraw/zinc/38/39/49/1082383949.db2.gz DQZKDGVKLOTILV-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001266916792 1082451321 /nfs/dbraw/zinc/45/13/21/1082451321.db2.gz FSJBPTCORNZMNC-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482681580 1082475767 /nfs/dbraw/zinc/47/57/67/1082475767.db2.gz JWTHMDTXFQTTOB-WBVHZDCISA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483051708 1082663822 /nfs/dbraw/zinc/66/38/22/1082663822.db2.gz XCLUFWLZGALBLQ-JTHGQSKGSA-N 2 0 317.477 2.069 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439057 1083395182 /nfs/dbraw/zinc/39/51/82/1083395182.db2.gz PWNQMYYSHZTTEA-ZIFCJYIRSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547422 1083476761 /nfs/dbraw/zinc/47/67/61/1083476761.db2.gz MKLKHTWBSAIKJE-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107615465 1083521353 /nfs/dbraw/zinc/52/13/53/1083521353.db2.gz BWQGHDJDOHMLRT-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001276983540 1083717303 /nfs/dbraw/zinc/71/73/03/1083717303.db2.gz MXKCGYMKKNEBLL-ULQDDVLXSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001277317269 1083909560 /nfs/dbraw/zinc/90/95/60/1083909560.db2.gz WQTVHPNKNOFLLJ-AYHJJNSGSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491189311 1084136856 /nfs/dbraw/zinc/13/68/56/1084136856.db2.gz AVDSWESRMNGEFA-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001670924370 1084147349 /nfs/dbraw/zinc/14/73/49/1084147349.db2.gz XELXSEPMTYFYCZ-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001491503870 1084353544 /nfs/dbraw/zinc/35/35/44/1084353544.db2.gz LKLNDZRLAMTHKW-ZDUSSCGKSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001486437581 1085313249 /nfs/dbraw/zinc/31/32/49/1085313249.db2.gz BEJLUGXCDVNBNU-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180379 1085627032 /nfs/dbraw/zinc/62/70/32/1085627032.db2.gz GRZMAHPWJCAIFC-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001273105586 1086201310 /nfs/dbraw/zinc/20/13/10/1086201310.db2.gz DEZOPFYEEMTEMF-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCN1CC[C@@]2(CC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273127542 1086287374 /nfs/dbraw/zinc/28/73/74/1086287374.db2.gz DDBXSESEJWSDHZ-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273128138 1086290403 /nfs/dbraw/zinc/29/04/03/1086290403.db2.gz OSYUTYHPYNDEGR-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP 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 1090531939 /nfs/dbraw/zinc/53/19/39/1090531939.db2.gz WSTVVHOXEVQSFL-XDNAFOTISA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120128943 1090650453 /nfs/dbraw/zinc/65/04/53/1090650453.db2.gz BLXYECWYJZSZNF-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001274368691 1091210246 /nfs/dbraw/zinc/21/02/46/1091210246.db2.gz UAALJGJCOYMUSZ-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001273419536 1091324179 /nfs/dbraw/zinc/32/41/79/1091324179.db2.gz WOGVISATFWDONA-JKSUJKDBSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@]2(CCCN(CC(=O)N(C)C)C2)C1 ZINC001274961865 1091489675 /nfs/dbraw/zinc/48/96/75/1091489675.db2.gz CMVNWGUKIZNLOG-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC001275116306 1091565826 /nfs/dbraw/zinc/56/58/26/1091565826.db2.gz VXEZSXNZJRBXMK-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001276146729 1091597488 /nfs/dbraw/zinc/59/74/88/1091597488.db2.gz JAWABXBEIYLURJ-ROUUACIJSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475816 1091868844 /nfs/dbraw/zinc/86/88/44/1091868844.db2.gz UAZPDXXMNADLQO-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001273475820 1091869197 /nfs/dbraw/zinc/86/91/97/1091869197.db2.gz UBDJWUTYSXOOPH-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001488621702 1092668271 /nfs/dbraw/zinc/66/82/71/1092668271.db2.gz JOLKZKKNVMMLMM-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001490616358 1093446644 /nfs/dbraw/zinc/44/66/44/1093446644.db2.gz FTWWASUPHDLPLU-SJLPKXTDSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691716602 1138210041 /nfs/dbraw/zinc/21/00/41/1138210041.db2.gz SRAUZBJPOGGXIQ-GASCZTMLSA-N 2 0 307.482 2.310 20 30 DEEDRP C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933992 1138460731 /nfs/dbraw/zinc/46/07/31/1138460731.db2.gz BKBADKZCIPMDNN-MRXNPFEDSA-N 2 0 315.436 2.423 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318428622 1140325844 /nfs/dbraw/zinc/32/58/44/1140325844.db2.gz KZFBJSONDCKHRR-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001318446185 1140334293 /nfs/dbraw/zinc/33/42/93/1140334293.db2.gz TYUMLAXDFMLKAI-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001318527998 1140359684 /nfs/dbraw/zinc/35/96/84/1140359684.db2.gz HASPSFCWNZGCKK-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001318982831 1140484887 /nfs/dbraw/zinc/48/48/87/1140484887.db2.gz BECFUJAOYCERDK-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001319145042 1140512695 /nfs/dbraw/zinc/51/26/95/1140512695.db2.gz NIJCXNNDXJSQBM-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001319261078 1140537113 /nfs/dbraw/zinc/53/71/13/1140537113.db2.gz ICXMJBYOAUJCMT-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001319649034 1140638530 /nfs/dbraw/zinc/63/85/30/1140638530.db2.gz UPDOPMGUSWWPSQ-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001320017072 1140812460 /nfs/dbraw/zinc/81/24/60/1140812460.db2.gz YIQGFQIHNIKDEK-UHFFFAOYSA-N 2 0 300.406 2.223 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278438813 1140877963 /nfs/dbraw/zinc/87/79/63/1140877963.db2.gz XRAXVTPZBYTNII-NVXWUHKLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719898 1141044687 /nfs/dbraw/zinc/04/46/87/1141044687.db2.gz HMXUCLXOFYRCTE-XMTFNYHQSA-N 2 0 308.466 2.201 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321278276 1141117490 /nfs/dbraw/zinc/11/74/90/1141117490.db2.gz DGQOWKNYVQVWIU-TUYSUELWSA-N 2 0 307.482 2.479 20 30 DEEDRP C=CCOC(=O)N1CC[NH+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246947954 1141164129 /nfs/dbraw/zinc/16/41/29/1141164129.db2.gz NUVSSDDFMZRRKW-UHFFFAOYSA-N 2 0 321.465 2.239 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001322193906 1141446424 /nfs/dbraw/zinc/44/64/24/1141446424.db2.gz OFFGWQQNKDBDPX-HNNXBMFYSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001323873577 1141895155 /nfs/dbraw/zinc/89/51/55/1141895155.db2.gz POYOPIQVKSWQMN-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001323930442 1141903062 /nfs/dbraw/zinc/90/30/62/1141903062.db2.gz HHJFMWLSMUAHSF-SFHVURJKSA-N 2 0 321.509 2.441 20 30 DEEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324420577 1142074965 /nfs/dbraw/zinc/07/49/65/1142074965.db2.gz WRCBEHNCBQQDFB-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001278582916 1142241812 /nfs/dbraw/zinc/24/18/12/1142241812.db2.gz RVZJHNMDSVWCMY-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC001338504714 1142860252 /nfs/dbraw/zinc/86/02/52/1142860252.db2.gz JSFVKFWZDWPZAS-MRXNPFEDSA-N 2 0 310.800 2.200 20 30 DEEDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254664133 1143306116 /nfs/dbraw/zinc/30/61/16/1143306116.db2.gz UKWQGJOYANCKID-AKHDSKFASA-N 2 0 317.477 2.359 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001340366283 1143331516 /nfs/dbraw/zinc/33/15/16/1143331516.db2.gz JBLQNMJHSBMCIO-QGZVFWFLSA-N 2 0 316.449 2.098 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001341716560 1143680536 /nfs/dbraw/zinc/68/05/36/1143680536.db2.gz HXSKQSXGVZABJC-ZWKOTPCHSA-N 2 0 315.461 2.403 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256621399 1143857833 /nfs/dbraw/zinc/85/78/33/1143857833.db2.gz ROZMMTWEFCRQFW-ALOPSCKCSA-N 2 0 321.465 2.236 20 30 DEEDRP C=CCN1CCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852146 1143870675 /nfs/dbraw/zinc/87/06/75/1143870675.db2.gz GFDRLDYFUHKXLC-SFHVURJKSA-N 2 0 300.450 2.290 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001279005850 1143896456 /nfs/dbraw/zinc/89/64/56/1143896456.db2.gz GBTBGBPXMGQULS-ZIAGYGMSSA-N 2 0 321.490 2.436 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC001262360233 1144309191 /nfs/dbraw/zinc/30/91/91/1144309191.db2.gz ZZMBFDFFMDIGOQ-INIZCTEOSA-N 2 0 322.497 2.010 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805569 1144396439 /nfs/dbraw/zinc/39/64/39/1144396439.db2.gz RCRISJIDYZMTAM-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001264002004 1144440210 /nfs/dbraw/zinc/44/02/10/1144440210.db2.gz QLONUAJJOIXCBL-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264120205 1144475006 /nfs/dbraw/zinc/47/50/06/1144475006.db2.gz FJUDGOWANPSNSH-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001264144390 1144485094 /nfs/dbraw/zinc/48/50/94/1144485094.db2.gz IYQPHQBKSIZMOY-PMPSAXMXSA-N 2 0 313.461 2.212 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264184400 1144499798 /nfs/dbraw/zinc/49/97/98/1144499798.db2.gz QXNDXQNWRZNYGG-BZSNNMDCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001264479038 1144545413 /nfs/dbraw/zinc/54/54/13/1144545413.db2.gz ZENXCDWSDBUNAU-YESZJQIVSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001264713217 1144599667 /nfs/dbraw/zinc/59/96/67/1144599667.db2.gz UETSTJCBPWLYFS-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)CC[N@H+](C)CC)CC1 ZINC001265341030 1144696315 /nfs/dbraw/zinc/69/63/15/1144696315.db2.gz IQGCMOYKVKVUAS-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265394998 1144701932 /nfs/dbraw/zinc/70/19/32/1144701932.db2.gz MWBCSRXENUWOKA-IAGOWNOFSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265399171 1144702266 /nfs/dbraw/zinc/70/22/66/1144702266.db2.gz QHVBBTXABODRMQ-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265454466 1144704934 /nfs/dbraw/zinc/70/49/34/1144704934.db2.gz QVBAYOXPFPAPGN-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265595265 1144716348 /nfs/dbraw/zinc/71/63/48/1144716348.db2.gz VQHKKQBZKVNUFG-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001265610792 1144717776 /nfs/dbraw/zinc/71/77/76/1144717776.db2.gz CAAWFMOBIUGTTN-JKSUJKDBSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001265708364 1144732668 /nfs/dbraw/zinc/73/26/68/1144732668.db2.gz NCDGPWQQPZDKRJ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001266041449 1144798515 /nfs/dbraw/zinc/79/85/15/1144798515.db2.gz VRJWKCCBHFBDSN-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266066985 1144802181 /nfs/dbraw/zinc/80/21/81/1144802181.db2.gz ICRODTALVNZDJI-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266066984 1144802252 /nfs/dbraw/zinc/80/22/52/1144802252.db2.gz ICRODTALVNZDJI-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001266240796 1144818277 /nfs/dbraw/zinc/81/82/77/1144818277.db2.gz CSOSVFIHKJQQAZ-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001281004877 1144868035 /nfs/dbraw/zinc/86/80/35/1144868035.db2.gz YFQJJKYPGYTMSD-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316616395 1144927546 /nfs/dbraw/zinc/92/75/46/1144927546.db2.gz MKKDUBXVQWLOGN-JZXOWHBKSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001282677898 1145123021 /nfs/dbraw/zinc/12/30/21/1145123021.db2.gz JZNOXXSJGCKRFQ-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001283318905 1145360135 /nfs/dbraw/zinc/36/01/35/1145360135.db2.gz DVUYUAURTQIINY-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001284131550 1145805511 /nfs/dbraw/zinc/80/55/11/1145805511.db2.gz QSHLQVVKLAJJSI-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C(C)(C)C ZINC001284603289 1145877727 /nfs/dbraw/zinc/87/77/27/1145877727.db2.gz HJEMDCLAZDYCKB-MRXNPFEDSA-N 2 0 312.417 2.010 20 30 DEEDRP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001284930383 1145975331 /nfs/dbraw/zinc/97/53/31/1145975331.db2.gz RZOBQTOXPWXTKD-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491828516 1146905323 /nfs/dbraw/zinc/90/53/23/1146905323.db2.gz UVPKMDYSGKKHIQ-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365924963 1146912999 /nfs/dbraw/zinc/91/29/99/1146912999.db2.gz MZRVYCBSMRXDQE-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492154680 1147101899 /nfs/dbraw/zinc/10/18/99/1147101899.db2.gz RJEKYEQLNQXQBK-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001316699853 1147565649 /nfs/dbraw/zinc/56/56/49/1147565649.db2.gz KJTWZZKTBNVDRA-KURKYZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317042780 1147581232 /nfs/dbraw/zinc/58/12/32/1147581232.db2.gz GQVHRVLKVOHGIC-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316880394 1147620109 /nfs/dbraw/zinc/62/01/09/1147620109.db2.gz OWATYMLBFJPSQL-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317179864 1147672259 /nfs/dbraw/zinc/67/22/59/1147672259.db2.gz YFOOGKJUACAACZ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001317200620 1147675197 /nfs/dbraw/zinc/67/51/97/1147675197.db2.gz SINYEQVPHQLTAI-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001317200619 1147675367 /nfs/dbraw/zinc/67/53/67/1147675367.db2.gz SINYEQVPHQLTAI-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001317220723 1147679146 /nfs/dbraw/zinc/67/91/46/1147679146.db2.gz HKTSMXFPXUDKAD-TVPLGVNVSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001324880245 1147855329 /nfs/dbraw/zinc/85/53/29/1147855329.db2.gz MCLFPNPZHZDELP-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264281947 529686951 /nfs/dbraw/zinc/68/69/51/529686951.db2.gz NYRBDHJJKHXMIE-LBPRGKRZSA-N 2 0 308.426 2.161 20 30 DEEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713327 529774550 /nfs/dbraw/zinc/77/45/50/529774550.db2.gz ISVBNYVSLXWVOP-OALUTQOASA-N 2 0 312.461 2.216 20 30 DEEDRP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000261977702 530062609 /nfs/dbraw/zinc/06/26/09/530062609.db2.gz GTYDLTWBRVIMRY-NSHDSACASA-N 2 0 316.327 2.406 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC001353677331 1151845965 /nfs/dbraw/zinc/84/59/65/1151845965.db2.gz GYUXXMAAMQETOJ-QGZVFWFLSA-N 2 0 303.450 2.260 20 30 DEEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083031549 355462220 /nfs/dbraw/zinc/46/22/20/355462220.db2.gz VLDWCEYJDHYOSD-GOEBONIOSA-N 2 0 316.449 2.146 20 30 DEEDRP CC1(C#N)CCC([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000581766736 357245329 /nfs/dbraw/zinc/24/53/29/357245329.db2.gz SAQQBWQUZHGEAX-UHFFFAOYSA-N 2 0 320.481 2.041 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000602535744 360422517 /nfs/dbraw/zinc/42/25/17/360422517.db2.gz RKGYCSQIPFMDLB-OAHLLOKOSA-N 2 0 316.449 2.007 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606682182 361032142 /nfs/dbraw/zinc/03/21/42/361032142.db2.gz TUCMMQNWOMGUGL-OAHLLOKOSA-N 2 0 322.497 2.056 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000289970725 221351320 /nfs/dbraw/zinc/35/13/20/221351320.db2.gz ZBUOQLQWYLZPQH-UHFFFAOYSA-N 2 0 308.495 2.325 20 30 DEEDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000362033243 133206399 /nfs/dbraw/zinc/20/63/99/133206399.db2.gz SUPINIFMNSYMFL-YJBOKZPZSA-N 2 0 312.461 2.377 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176154419 402284933 /nfs/dbraw/zinc/28/49/33/402284933.db2.gz ZMPJOCAMECKZRL-IAGOWNOFSA-N 2 0 322.497 2.199 20 30 DEEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000248837245 402610433 /nfs/dbraw/zinc/61/04/33/402610433.db2.gz NEIVTSZYCVXKRZ-AYOQOUSVSA-N 2 0 313.445 2.425 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000171726590 402614954 /nfs/dbraw/zinc/61/49/54/402614954.db2.gz VUACJQZWZSIETE-INIZCTEOSA-N 2 0 322.497 2.056 20 30 DEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000274673007 403077170 /nfs/dbraw/zinc/07/71/70/403077170.db2.gz YJRSMMYMUZGOBU-GJZGRUSLSA-N 2 0 318.440 2.374 20 30 DEEDRP CC(C)CNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284176350 403251276 /nfs/dbraw/zinc/25/12/76/403251276.db2.gz XGLSTLLFVQFPAL-UHFFFAOYSA-N 2 0 318.465 2.220 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362801964 403989228 /nfs/dbraw/zinc/98/92/28/403989228.db2.gz PTZIJABARHNBKF-UHFFFAOYSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCOCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348047935 404022740 /nfs/dbraw/zinc/02/27/40/404022740.db2.gz LWQGGYRAOGDSSJ-CALCHBBNSA-N 2 0 310.482 2.400 20 30 DEEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424143875 405020968 /nfs/dbraw/zinc/02/09/68/405020968.db2.gz GSQCUWJCJNYSAU-IXDOHACOSA-N 2 0 320.481 2.121 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)C(C)C ZINC000417072229 405026773 /nfs/dbraw/zinc/02/67/73/405026773.db2.gz XAWQUCJVPLLTNU-IAGOWNOFSA-N 2 0 322.497 2.078 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426350516 405353260 /nfs/dbraw/zinc/35/32/60/405353260.db2.gz HNPXSKRRHPPSJS-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421329073 405464852 /nfs/dbraw/zinc/46/48/52/405464852.db2.gz UOCPVAAPYIAUAB-UHFFFAOYSA-N 2 0 318.440 2.061 20 30 DEEDRP C=CCN(CCc1ccccc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103606 405577923 /nfs/dbraw/zinc/57/79/23/405577923.db2.gz YLEDFOKAPKICLK-UHFFFAOYSA-N 2 0 300.406 2.494 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000515654269 406074511 /nfs/dbraw/zinc/07/45/11/406074511.db2.gz KTXGJEIPMARVRQ-IRXDYDNUSA-N 2 0 307.482 2.333 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000490574286 406471543 /nfs/dbraw/zinc/47/15/43/406471543.db2.gz NFSGPUVSKGCMRL-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000571550763 406535228 /nfs/dbraw/zinc/53/52/28/406535228.db2.gz WVTQSJFTYCCPCP-YJNKEBTESA-N 2 0 314.433 2.360 20 30 DEEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000549761840 406591378 /nfs/dbraw/zinc/59/13/78/406591378.db2.gz WFCNQNMVFWVGJD-AWEZNQCLSA-N 2 0 314.437 2.201 20 30 DEEDRP C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000644941902 407217407 /nfs/dbraw/zinc/21/74/07/407217407.db2.gz UCFFIDAJXSSMTQ-HNNXBMFYSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000644941903 407217531 /nfs/dbraw/zinc/21/75/31/407217531.db2.gz UCFFIDAJXSSMTQ-OAHLLOKOSA-N 2 0 322.497 2.056 20 30 DEEDRP [NH2+]=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000195291608 225201795 /nfs/dbraw/zinc/20/17/95/225201795.db2.gz SJZDZRFBCUHAGD-QGZVFWFLSA-N 2 0 300.450 2.309 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)N1 ZINC000262628011 225279563 /nfs/dbraw/zinc/27/95/63/225279563.db2.gz DXHWMFQSWIZYGT-LSDHHAIUSA-N 2 0 300.450 2.356 20 30 DEEDRP C[C@@H]1C[NH+]=C(NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)N1 ZINC000262655442 225280640 /nfs/dbraw/zinc/28/06/40/225280640.db2.gz LOACITQBEMOCPT-NVXWUHKLSA-N 2 0 300.450 2.397 20 30 DEEDRP C[NH+](C)CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264067967 225300164 /nfs/dbraw/zinc/30/01/64/225300164.db2.gz FLPXGSVYLRBPCA-UHFFFAOYSA-N 2 0 304.316 2.264 20 30 DEEDRP C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(OCC#N)cc1 ZINC000834849662 649854196 /nfs/dbraw/zinc/85/41/96/649854196.db2.gz DUNFDNLRIKZNHI-NVXWUHKLSA-N 2 0 317.433 2.086 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC000648782401 424905175 /nfs/dbraw/zinc/90/51/75/424905175.db2.gz GHJGYPCYSUXJTJ-BRWVUGGUSA-N 2 0 307.482 2.141 20 30 DEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000651830451 425149106 /nfs/dbraw/zinc/14/91/06/425149106.db2.gz UGZQRUXDDYPBBO-MSOLQXFVSA-N 2 0 321.509 2.117 20 30 DEEDRP C=CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661379144 425394163 /nfs/dbraw/zinc/39/41/63/425394163.db2.gz USNBBHSSGYBYTE-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000662661885 425706553 /nfs/dbraw/zinc/70/65/53/425706553.db2.gz WIYSMTAGEWAMRE-WMZOPIPTSA-N 2 0 301.434 2.104 20 30 DEEDRP C=CC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662682512 425711818 /nfs/dbraw/zinc/71/18/18/425711818.db2.gz INNLBQAWEXXBEA-FUHWJXTLSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[C@@]1(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCC[NH2+]1 ZINC000662732283 425723868 /nfs/dbraw/zinc/72/38/68/425723868.db2.gz RFVPDNYOMWUKLF-SFHVURJKSA-N 2 0 319.424 2.202 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001329761027 1148989825 /nfs/dbraw/zinc/98/98/25/1148989825.db2.gz KFRGDOKNKIYMHQ-KRWDZBQOSA-N 2 0 323.525 2.450 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000177872804 337160874 /nfs/dbraw/zinc/16/08/74/337160874.db2.gz YBMYOPIPJPBRQN-MRXNPFEDSA-N 2 0 322.497 2.010 20 30 DEEDRP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1ccnc1 ZINC001329953563 1149022074 /nfs/dbraw/zinc/02/20/74/1149022074.db2.gz OGMORTOXRSBWBY-INIZCTEOSA-N 2 0 304.438 2.210 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001330020931 1149035213 /nfs/dbraw/zinc/03/52/13/1149035213.db2.gz JUCWJGXNJRZDEZ-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001442335369 1182424324 /nfs/dbraw/zinc/42/43/24/1182424324.db2.gz GNUIYKUCSMOLST-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)NC1CCCC1 ZINC000263264313 526412987 /nfs/dbraw/zinc/41/29/87/526412987.db2.gz UQZZCNUNICRWAZ-UHFFFAOYSA-N 2 0 324.538 2.456 20 30 DEEDRP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262495468 526416813 /nfs/dbraw/zinc/41/68/13/526416813.db2.gz YDRRQMUNVVSCRI-QAPCUYQASA-N 2 0 324.513 2.228 20 30 DEEDRP C=CC[C@@H](CO)C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000341296346 527080229 /nfs/dbraw/zinc/08/02/29/527080229.db2.gz JJONVQNHWSTRTR-QGZVFWFLSA-N 2 0 317.477 2.103 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000340120148 527648297 /nfs/dbraw/zinc/64/82/97/527648297.db2.gz HFABJPJUYCSELK-YESZJQIVSA-N 2 0 307.482 2.319 20 30 DEEDRP CCCNc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000193062572 528563013 /nfs/dbraw/zinc/56/30/13/528563013.db2.gz YGEWTLVMKBXCDN-KRWDZBQOSA-N 2 0 317.481 2.397 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCC1(F)F ZINC000263025725 529100580 /nfs/dbraw/zinc/10/05/80/529100580.db2.gz AORJJXLOLYARNL-OLZOCXBDSA-N 2 0 302.413 2.201 20 30 DEEDRP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001327499632 1148570812 /nfs/dbraw/zinc/57/08/12/1148570812.db2.gz KNRAAAOIYMFDRA-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023465895 625281551 /nfs/dbraw/zinc/28/15/51/625281551.db2.gz ZAOWGCURVRMSAU-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025267604 625314872 /nfs/dbraw/zinc/31/48/72/625314872.db2.gz QQGQMWSHJFCQEC-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007620463 625416050 /nfs/dbraw/zinc/41/60/50/625416050.db2.gz QOYYXNCVYAVVAR-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468320 625462196 /nfs/dbraw/zinc/46/21/96/625462196.db2.gz INZYKDSQECHNBM-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972699909 625465583 /nfs/dbraw/zinc/46/55/83/625465583.db2.gz BMMIQLNVCCSGOM-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472420 625466366 /nfs/dbraw/zinc/46/63/66/625466366.db2.gz QEFYINSZPDLCLL-GOEBONIOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001026518403 625494186 /nfs/dbraw/zinc/49/41/86/625494186.db2.gz SYAPOAULAPYCNC-NFOMZHRRSA-N 2 0 316.449 2.026 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525723 625501721 /nfs/dbraw/zinc/50/17/21/625501721.db2.gz RLOZHOMZTPLFCS-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969836355 622941672 /nfs/dbraw/zinc/94/16/72/622941672.db2.gz LYYWDZUFYJWSJM-MAUKXSAKSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001020673551 623059448 /nfs/dbraw/zinc/05/94/48/623059448.db2.gz LPHWPSLUKJTSJM-KKUMJFAQSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529846 623523528 /nfs/dbraw/zinc/52/35/28/623523528.db2.gz TYUQJLXHPBOUAU-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970841744 623737642 /nfs/dbraw/zinc/73/76/42/623737642.db2.gz QGAPKKWPGBHGNG-CQSZACIVSA-N 2 0 305.422 2.112 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001019518324 625688288 /nfs/dbraw/zinc/68/82/88/625688288.db2.gz JZIBGFKWQIYGQF-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[C@@H]1CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000934459025 624882070 /nfs/dbraw/zinc/88/20/70/624882070.db2.gz AWDAZCDLBYIGPE-IAGOWNOFSA-N 2 0 301.434 2.056 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377084 625244422 /nfs/dbraw/zinc/24/44/22/625244422.db2.gz FEYDMKRZWIUVCL-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695389 634450404 /nfs/dbraw/zinc/45/04/04/634450404.db2.gz SQMUPECFMRKVGN-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001024576699 625900269 /nfs/dbraw/zinc/90/02/69/625900269.db2.gz YITCPXBQXMOOGJ-SFHVURJKSA-N 2 0 322.412 2.090 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3nccn32)CC1(C)C ZINC000995896385 633133748 /nfs/dbraw/zinc/13/37/48/633133748.db2.gz NGZCXSGZCXVDHT-GJZGRUSLSA-N 2 0 316.449 2.163 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975115895 633425912 /nfs/dbraw/zinc/42/59/12/633425912.db2.gz ZTIHJQNPGPAIEW-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997360594 633713732 /nfs/dbraw/zinc/71/37/32/633713732.db2.gz PCIBZKDEDXKCPY-ZIAGYGMSSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997834135 634003985 /nfs/dbraw/zinc/00/39/85/634003985.db2.gz CNKSKEOWQPUODS-AWEZNQCLSA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998188296 634163220 /nfs/dbraw/zinc/16/32/20/634163220.db2.gz JDXRLRFROQKIPQ-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC000978229544 634249445 /nfs/dbraw/zinc/24/94/45/634249445.db2.gz JODMXQIZKKLHHT-ZJPYXAASSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027602064 634255896 /nfs/dbraw/zinc/25/58/96/634255896.db2.gz KQGKXKMRRMCICJ-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628659 634334077 /nfs/dbraw/zinc/33/40/77/634334077.db2.gz HOWVTUUECPGNNF-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027877711 634846132 /nfs/dbraw/zinc/84/61/32/634846132.db2.gz ABTFLZQJRKIDRI-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027877709 634846152 /nfs/dbraw/zinc/84/61/52/634846152.db2.gz ABTFLZQJRKIDRI-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000766497 635289835 /nfs/dbraw/zinc/28/98/35/635289835.db2.gz GSXZQZABABWXMB-SFHVURJKSA-N 2 0 319.493 2.289 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000981338792 635444026 /nfs/dbraw/zinc/44/40/26/635444026.db2.gz ZSGUADPYIKIHHB-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028088835 635457118 /nfs/dbraw/zinc/45/71/18/635457118.db2.gz QPWKOBZKWUDONJ-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001370155 635480278 /nfs/dbraw/zinc/48/02/78/635480278.db2.gz HLRDZZXZFNDAOK-IAGOWNOFSA-N 2 0 305.466 2.041 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001377866 635482342 /nfs/dbraw/zinc/48/23/42/635482342.db2.gz WPSOXTGPQDKAOG-UHFFFAOYSA-N 2 0 314.433 2.086 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438171 635483514 /nfs/dbraw/zinc/48/35/14/635483514.db2.gz KGVMEFNZMRLUIE-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001001530236 635523365 /nfs/dbraw/zinc/52/33/65/635523365.db2.gz XNAOAVWYHCUPCB-UHFFFAOYSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001772424 635548095 /nfs/dbraw/zinc/54/80/95/635548095.db2.gz KDLMGSBOKBZEJB-UHFFFAOYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295957 635953379 /nfs/dbraw/zinc/95/33/79/635953379.db2.gz HJXGDSDJBMHVEN-HDICACEKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003491760 635979552 /nfs/dbraw/zinc/97/95/52/635979552.db2.gz HFZCBEJZURINGI-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982561726 636267677 /nfs/dbraw/zinc/26/76/77/636267677.db2.gz ZPOUDVYHQBZMIT-RYQLBKOJSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004462478 636460400 /nfs/dbraw/zinc/46/04/00/636460400.db2.gz DIFOTLFLMNTQHU-ROUUACIJSA-N 2 0 321.509 2.462 20 30 DEEDRP 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 636495922 /nfs/dbraw/zinc/49/59/22/636495922.db2.gz PSTVTIFMMPLJOP-RWQQGDIJSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617125 636502957 /nfs/dbraw/zinc/50/29/57/636502957.db2.gz OSGXXQQAMBQQEW-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005590642 636792126 /nfs/dbraw/zinc/79/21/26/636792126.db2.gz BEECABHPZYKAKB-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005631011 636802540 /nfs/dbraw/zinc/80/25/40/636802540.db2.gz FBGBUOZXPWLAQQ-UHFFFAOYSA-N 2 0 324.428 2.202 20 30 DEEDRP C=C(Cl)CN1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005994660 637052686 /nfs/dbraw/zinc/05/26/86/637052686.db2.gz GXROLPNUEXPBII-AWEZNQCLSA-N 2 0 313.873 2.146 20 30 DEEDRP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1C#N ZINC000896880801 638755790 /nfs/dbraw/zinc/75/57/90/638755790.db2.gz OWTHHGWUQSVOKY-UHFFFAOYSA-N 2 0 301.434 2.192 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000986566032 639935146 /nfs/dbraw/zinc/93/51/46/639935146.db2.gz KZYDMKXQXFOFMR-SWLSCSKDSA-N 2 0 318.808 2.279 20 30 DEEDRP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000897621812 640872333 /nfs/dbraw/zinc/87/23/33/640872333.db2.gz VJOJKKAFOLTMBT-PKOBYXMFSA-N 2 0 312.461 2.420 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483834 641121913 /nfs/dbraw/zinc/12/19/13/641121913.db2.gz YDAQYEVEEKNDKI-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000989664066 641191533 /nfs/dbraw/zinc/19/15/33/641191533.db2.gz FDYJEOWFUFNZCZ-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989737736 641215092 /nfs/dbraw/zinc/21/50/92/641215092.db2.gz XPOPZPITCHJUCD-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000900219302 642294201 /nfs/dbraw/zinc/29/42/01/642294201.db2.gz SKIIWFDOVMOGMU-IYBDPMFKSA-N 2 0 309.498 2.369 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477388 650749239 /nfs/dbraw/zinc/74/92/39/650749239.db2.gz SZBCTWNBZFASNF-IAGOWNOFSA-N 2 0 322.497 2.177 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901075657 642561181 /nfs/dbraw/zinc/56/11/81/642561181.db2.gz MNVMGVCFEZIFRR-SFHVURJKSA-N 2 0 315.461 2.227 20 30 DEEDRP C=CCCC[N@@H+](CC)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000902669293 643109213 /nfs/dbraw/zinc/10/92/13/643109213.db2.gz JWGKNLKWVVOUDU-KRWDZBQOSA-N 2 0 307.438 2.149 20 30 DEEDRP N#Cc1ccc(C2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000903824226 643473461 /nfs/dbraw/zinc/47/34/61/643473461.db2.gz NYZHFSRUQHQLKE-GOSISDBHSA-N 2 0 311.429 2.116 20 30 DEEDRP C[NH+](C)Cc1ccc(C(N)=NOCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000906503928 644274980 /nfs/dbraw/zinc/27/49/80/644274980.db2.gz YAWQDKYREYHGPK-QGZVFWFLSA-N 2 0 318.465 2.260 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC000843803201 651031988 /nfs/dbraw/zinc/03/19/88/651031988.db2.gz JHXSYVWGJSRKSE-HNNXBMFYSA-N 2 0 316.449 2.001 20 30 DEEDRP CCC(CC)[C@@H](CNC(=[NH2+])NCc1ccccc1OC)[NH+](C)C ZINC000170910427 646675074 /nfs/dbraw/zinc/67/50/74/646675074.db2.gz ZSVIVQXPSGVVSD-MRXNPFEDSA-N 2 0 320.481 2.466 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829234 646695820 /nfs/dbraw/zinc/69/58/20/646695820.db2.gz HHTMKRYVUXVZNB-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992145248 646871345 /nfs/dbraw/zinc/87/13/45/646871345.db2.gz PRRIQBWLCPGVQU-SJLPKXTDSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169352 646882614 /nfs/dbraw/zinc/88/26/14/646882614.db2.gz QPADAFCNQRKGKE-CRAIPNDOSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000732136542 647544458 /nfs/dbraw/zinc/54/44/58/647544458.db2.gz PWZXTDLKBZRGEN-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994134670 647791546 /nfs/dbraw/zinc/79/15/46/647791546.db2.gz PORDLELOVZQWKD-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745658 648933239 /nfs/dbraw/zinc/93/32/39/648933239.db2.gz RUCYIEDMEORQOY-SJORKVTESA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853239 648959997 /nfs/dbraw/zinc/95/99/97/648959997.db2.gz OTPKETFULQWLIS-KRWDZBQOSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940991933 648983105 /nfs/dbraw/zinc/98/31/05/648983105.db2.gz UCIIWVVGKQVTGF-HNNXBMFYSA-N 2 0 319.449 2.358 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941076279 648995361 /nfs/dbraw/zinc/99/53/61/648995361.db2.gz VIOWICYQXCATQZ-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167359 649013957 /nfs/dbraw/zinc/01/39/57/649013957.db2.gz VAHMJCNBQRUPIM-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941236957 649028019 /nfs/dbraw/zinc/02/80/19/649028019.db2.gz DLFAPPQAFPOEQT-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941237864 649028615 /nfs/dbraw/zinc/02/86/15/649028615.db2.gz RRGPXZBVWXJXRT-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517946 649231475 /nfs/dbraw/zinc/23/14/75/649231475.db2.gz JMAUFTUPSNAWNV-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP Cc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc(N)[nH+]1 ZINC000845761477 651278842 /nfs/dbraw/zinc/27/88/42/651278842.db2.gz PEEBKANLRSIONB-UHFFFAOYSA-N 2 0 322.416 2.315 20 30 DEEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304749664 685258910 /nfs/dbraw/zinc/25/89/10/685258910.db2.gz HWVANNVWBDLOTP-HNNXBMFYSA-N 2 0 320.481 2.447 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)cc1OC ZINC000304746577 685258917 /nfs/dbraw/zinc/25/89/17/685258917.db2.gz FXNAVVWYTUXSJC-AWEZNQCLSA-N 2 0 324.856 2.237 20 30 DEEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000304745544 685259001 /nfs/dbraw/zinc/25/90/01/685259001.db2.gz FFFFUKRVUAWWSS-ZDUSSCGKSA-N 2 0 320.437 2.305 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+](C)C2CCCC2)c1 ZINC000304762534 685261280 /nfs/dbraw/zinc/26/12/80/685261280.db2.gz VTNRAYGXNPYYLB-UHFFFAOYSA-N 2 0 320.437 2.305 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000104153998 684058384 /nfs/dbraw/zinc/05/83/84/684058384.db2.gz XVCGZEBVPGZWIO-CQSZACIVSA-N 2 0 318.421 2.059 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001054238932 693895336 /nfs/dbraw/zinc/89/53/36/693895336.db2.gz BZMUJWNQBXYFJW-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000303884168 685237416 /nfs/dbraw/zinc/23/74/16/685237416.db2.gz IYZIBVSIAFVCQU-INIZCTEOSA-N 2 0 317.481 2.056 20 30 DEEDRP CCOCCCNC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303911606 685239826 /nfs/dbraw/zinc/23/98/26/685239826.db2.gz ZSZVXIYKSXUACJ-IYBDPMFKSA-N 2 0 312.502 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001054646675 694014629 /nfs/dbraw/zinc/01/46/29/694014629.db2.gz CIQJQWPXZLTNBV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858315 687442349 /nfs/dbraw/zinc/44/23/49/687442349.db2.gz NKKMAYDRCAUMRX-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970688 687485288 /nfs/dbraw/zinc/48/52/88/687485288.db2.gz QPTULGZWMDDIPA-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016630928 687669435 /nfs/dbraw/zinc/66/94/35/687669435.db2.gz LLBGXANLRGJLEO-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016828056 687711943 /nfs/dbraw/zinc/71/19/43/687711943.db2.gz CEQUQWMCRYYUDY-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016863789 687721961 /nfs/dbraw/zinc/72/19/61/687721961.db2.gz VQSROGHIZDJTKN-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016982866 687749681 /nfs/dbraw/zinc/74/96/81/687749681.db2.gz MQZFBOCCOJGWIV-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611712 687924573 /nfs/dbraw/zinc/92/45/73/687924573.db2.gz VYAJZCWPYXIWJI-KURKYZTESA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001017618464 687926160 /nfs/dbraw/zinc/92/61/60/687926160.db2.gz DKUAYAWQIFLHGP-CALCHBBNSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031767275 688992934 /nfs/dbraw/zinc/99/29/34/688992934.db2.gz UXLHXGCAEUUYBW-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873239330 689191488 /nfs/dbraw/zinc/19/14/88/689191488.db2.gz SZUFDEBJQXADMA-JWTNVVGKSA-N 2 0 310.445 2.400 20 30 DEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873291172 689203865 /nfs/dbraw/zinc/20/38/65/689203865.db2.gz DQVHFKCMKGMCLL-AEFFLSMTSA-N 2 0 311.429 2.294 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033083707 689381567 /nfs/dbraw/zinc/38/15/67/689381567.db2.gz WZNWSRDGFGNYRY-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475765 689514474 /nfs/dbraw/zinc/51/44/74/689514474.db2.gz RGOLXRRFOIEDFX-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855297 689640900 /nfs/dbraw/zinc/64/09/00/689640900.db2.gz JHMGWUHIDYUBFW-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033883809 689650086 /nfs/dbraw/zinc/65/00/86/689650086.db2.gz UABODQNIGNHSLC-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938356 689668391 /nfs/dbraw/zinc/66/83/91/689668391.db2.gz VWXOSMZLGKAZSN-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709385 689911728 /nfs/dbraw/zinc/91/17/28/689911728.db2.gz QIZAQZVKAACQHG-JKSUJKDBSA-N 2 0 321.852 2.410 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001034642530 689917171 /nfs/dbraw/zinc/91/71/71/689917171.db2.gz GPEUMMBOOMMYOJ-XLAORIBOSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001034775410 689945456 /nfs/dbraw/zinc/94/54/56/689945456.db2.gz OEEFCYCMWXUUAJ-KZNAEPCWSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccc(CC)cc1 ZINC000876838298 689950566 /nfs/dbraw/zinc/95/05/66/689950566.db2.gz JFTXMMRMHSJNPO-CVEARBPZSA-N 2 0 321.852 2.192 20 30 DEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035226958 690067218 /nfs/dbraw/zinc/06/72/18/690067218.db2.gz PDWFWDHFCBDZMU-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035837527 690189299 /nfs/dbraw/zinc/18/92/99/690189299.db2.gz XQDMDGPECSOKGX-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001036050120 690246671 /nfs/dbraw/zinc/24/66/71/690246671.db2.gz VIFYYCNKMDZNBM-ZFWWWQNUSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001036109849 690263645 /nfs/dbraw/zinc/26/36/45/690263645.db2.gz CRDYAVQCKVTDGI-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001036256185 690302864 /nfs/dbraw/zinc/30/28/64/690302864.db2.gz GEROSXFJJAXGQS-GDBMZVCRSA-N 2 0 316.449 2.164 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036832479 690492254 /nfs/dbraw/zinc/49/22/54/690492254.db2.gz CFXXDJUAVGOJIW-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904367 690522697 /nfs/dbraw/zinc/52/26/97/690522697.db2.gz QXBBLXQHBNTIFL-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134004 691030285 /nfs/dbraw/zinc/03/02/85/691030285.db2.gz NQYUESBPMABGIB-MSOLQXFVSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159427 691035164 /nfs/dbraw/zinc/03/51/64/691035164.db2.gz NGYKCYSGTBCILK-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039216240 691057706 /nfs/dbraw/zinc/05/77/06/691057706.db2.gz ZATXDFKPFSPTJO-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039239649 691064536 /nfs/dbraw/zinc/06/45/36/691064536.db2.gz UGUJNJGEXCJVCL-NVXWUHKLSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039280823 691074188 /nfs/dbraw/zinc/07/41/88/691074188.db2.gz FVYWYEVNFDSIEZ-HMQMGEFJSA-N 2 0 307.482 2.260 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001039393824 691096376 /nfs/dbraw/zinc/09/63/76/691096376.db2.gz JRCVJKKEACQYIZ-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354031 691234495 /nfs/dbraw/zinc/23/44/95/691234495.db2.gz LEMLIVICYFCOEM-LNLFQRSKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132273 691516690 /nfs/dbraw/zinc/51/66/90/691516690.db2.gz APOPJTAOKHFUBS-QAPCUYQASA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001044877683 691901621 /nfs/dbraw/zinc/90/16/21/691901621.db2.gz KBDBZECEMWXNAW-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438275 691981324 /nfs/dbraw/zinc/98/13/24/691981324.db2.gz NFJASTJWJKQCOB-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045619379 692006470 /nfs/dbraw/zinc/00/64/70/692006470.db2.gz FJFDGWLNIHOKPB-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP N#CC1(C[C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000886264020 692038876 /nfs/dbraw/zinc/03/88/76/692038876.db2.gz MUFMAQYXNKPSHR-KRWDZBQOSA-N 2 0 314.433 2.039 20 30 DEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000887132723 692287494 /nfs/dbraw/zinc/28/74/94/692287494.db2.gz LRORCSDIJAAYKI-KXBFYZLASA-N 2 0 322.412 2.197 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048913499 692720874 /nfs/dbraw/zinc/72/08/74/692720874.db2.gz FQEWBZYFXXGVRP-KSZLIROESA-N 2 0 319.493 2.073 20 30 DEEDRP 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 692795794 /nfs/dbraw/zinc/79/57/94/692795794.db2.gz UEQUERMTDORLHC-XLAORIBOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049525441 692912214 /nfs/dbraw/zinc/91/22/14/692912214.db2.gz QOMJHTMNRNHCIP-KURKYZTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049713552 692973068 /nfs/dbraw/zinc/97/30/68/692973068.db2.gz ZGXFRJNHUXBAJC-IXDOHACOSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049898044 693040250 /nfs/dbraw/zinc/04/02/50/693040250.db2.gz WKXDIHXWFWGHFR-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050047278 693091610 /nfs/dbraw/zinc/09/16/10/693091610.db2.gz VKAKOQHDVNABGD-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050076136 693101613 /nfs/dbraw/zinc/10/16/13/693101613.db2.gz UMNYTKKIPOJKJS-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000924806287 693188120 /nfs/dbraw/zinc/18/81/20/693188120.db2.gz BOILAYFKXGSPAO-OAHLLOKOSA-N 2 0 315.465 2.251 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050651917 693224490 /nfs/dbraw/zinc/22/44/90/693224490.db2.gz NSAHAUYDYINOBX-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050686866 693232244 /nfs/dbraw/zinc/23/22/44/693232244.db2.gz FNLMVVUQODQCDD-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000925703295 693327316 /nfs/dbraw/zinc/32/73/16/693327316.db2.gz SVKRWJGDGXRMHP-BEFAXECRSA-N 2 0 312.461 2.253 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052444609 693536576 /nfs/dbraw/zinc/53/65/76/693536576.db2.gz GSEDQDOISGBPAX-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052592780 693574328 /nfs/dbraw/zinc/57/43/28/693574328.db2.gz YUYUEWFSSPOWOS-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052679723 693594346 /nfs/dbraw/zinc/59/43/46/693594346.db2.gz BGKNXJTUPHTUIR-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052712521 693600596 /nfs/dbraw/zinc/60/05/96/693600596.db2.gz JPNGEHSCSGJQBQ-HIFRSBDPSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820418 693625273 /nfs/dbraw/zinc/62/52/73/693625273.db2.gz QDGZTUOSYWXVFT-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(F)c1 ZINC001333480121 1150055735 /nfs/dbraw/zinc/05/57/35/1150055735.db2.gz PJHNVVNOVLFUMF-QGZVFWFLSA-N 2 0 321.440 2.304 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405781 1151855800 /nfs/dbraw/zinc/85/58/00/1151855800.db2.gz MKKDUBXVQWLOGN-HTWSVDAQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001373291138 1156938574 /nfs/dbraw/zinc/93/85/74/1156938574.db2.gz QMYGVKIACZBZNA-LSDHHAIUSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001394510712 1158600339 /nfs/dbraw/zinc/60/03/39/1158600339.db2.gz MOSKBBBSHWJUPD-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001375577431 1158818628 /nfs/dbraw/zinc/81/86/28/1158818628.db2.gz KIPVUKBZNDFHTO-ZNMIVQPWSA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001397120477 1160001798 /nfs/dbraw/zinc/00/17/98/1160001798.db2.gz GRXLFAKUWXWUFQ-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001399389219 1161374903 /nfs/dbraw/zinc/37/49/03/1161374903.db2.gz MNDXXEMVUJQPHQ-GJZGRUSLSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001421765714 1171978350 /nfs/dbraw/zinc/97/83/50/1171978350.db2.gz DZTIJBPDSCADKD-ZFWWWQNUSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001421886278 1172089842 /nfs/dbraw/zinc/08/98/42/1172089842.db2.gz GNGIUPBKACQMEA-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001422577612 1172724414 /nfs/dbraw/zinc/72/44/14/1172724414.db2.gz ZXCKXXCWLORFHC-ZIAGYGMSSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001423327154 1173241690 /nfs/dbraw/zinc/24/16/90/1173241690.db2.gz RXEJFPLCFRUOGV-UONOGXRCSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001423598940 1173439581 /nfs/dbraw/zinc/43/95/81/1173439581.db2.gz GKSVEXGUTZOMMW-ZDUSSCGKSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001436760669 1179222340 /nfs/dbraw/zinc/22/23/40/1179222340.db2.gz GSQJRVXRZDDGFI-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001438699128 1180772437 /nfs/dbraw/zinc/77/24/37/1180772437.db2.gz YDEULYXWMYXCHV-CABCVRRESA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001444715850 1183528478 /nfs/dbraw/zinc/52/84/78/1183528478.db2.gz FPJDISBQBNUNRT-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001447241852 1184688904 /nfs/dbraw/zinc/68/89/04/1184688904.db2.gz SNGGVWFWTXGCKL-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001447792281 1184876584 /nfs/dbraw/zinc/87/65/84/1184876584.db2.gz IEENMZBJNKLTJQ-YMAMQOFZSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282095 782613104 /nfs/dbraw/zinc/61/31/04/782613104.db2.gz UFPHYNMTMUWDHM-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001106476974 782734806 /nfs/dbraw/zinc/73/48/06/782734806.db2.gz BPKILUVCWPJIJA-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309892 783041290 /nfs/dbraw/zinc/04/12/90/783041290.db2.gz GQCZLRNREZWWRG-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437321 783135805 /nfs/dbraw/zinc/13/58/05/783135805.db2.gz QNYTWYUVRORXOV-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493149 783159801 /nfs/dbraw/zinc/15/98/01/783159801.db2.gz UOAWKFUXKXMXBM-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2CC[C@@H]3[NH3+])cc1 ZINC001170984141 790377565 /nfs/dbraw/zinc/37/75/65/790377565.db2.gz NTEFGKRZFVIEHX-HNNXBMFYSA-N 2 0 309.369 2.456 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077127 790437819 /nfs/dbraw/zinc/43/78/19/790437819.db2.gz HFDIVVUSHUJBLJ-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345658 777088597 /nfs/dbraw/zinc/08/85/97/777088597.db2.gz NDFIGFLFKKCGHY-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460600 777105724 /nfs/dbraw/zinc/10/57/24/777105724.db2.gz IMBRDMFDXDOOHD-UHFFFAOYSA-N 2 0 315.461 2.424 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317392 777781083 /nfs/dbraw/zinc/78/10/83/777781083.db2.gz HKHSXODSMATMTK-NXHRZFHOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676376 778015353 /nfs/dbraw/zinc/01/53/53/778015353.db2.gz HHQCWYOJDCWZGO-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104755208 778153140 /nfs/dbraw/zinc/15/31/40/778153140.db2.gz RHVNIJAHOXUIST-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104873673 778225437 /nfs/dbraw/zinc/22/54/37/778225437.db2.gz FBNUVNPVCVGJKE-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000981382082 778701762 /nfs/dbraw/zinc/70/17/62/778701762.db2.gz MDXZUIWRHJHZAH-ZWKOTPCHSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696903 779414976 /nfs/dbraw/zinc/41/49/76/779414976.db2.gz RWNXADOPUCBUQH-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088022838 779641522 /nfs/dbraw/zinc/64/15/22/779641522.db2.gz BEVBIBRJOOHGKN-SQNIBIBYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170480 779746774 /nfs/dbraw/zinc/74/67/74/779746774.db2.gz STPHSVISEYTJCU-KSZLIROESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985559111 779909552 /nfs/dbraw/zinc/90/95/52/779909552.db2.gz QLKZGLVLVYXAQI-SFHVURJKSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001088339570 779992812 /nfs/dbraw/zinc/99/28/12/779992812.db2.gz JLFKASNFPCSSNC-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001088393643 780065998 /nfs/dbraw/zinc/06/59/98/780065998.db2.gz KKGQRIQLNAWSFY-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001101571067 780413983 /nfs/dbraw/zinc/41/39/83/780413983.db2.gz HAOHDHBBJAUQPD-QGZVFWFLSA-N 2 0 321.509 2.060 20 30 DEEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518093 780731090 /nfs/dbraw/zinc/73/10/90/780731090.db2.gz QMFHMVUTAVVLGU-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105559178 780762654 /nfs/dbraw/zinc/76/26/54/780762654.db2.gz MBRKRHLSSRWYHE-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561861 780764692 /nfs/dbraw/zinc/76/46/92/780764692.db2.gz SVVKQPAAHABSIH-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCCCC)C2)CC1 ZINC001101025119 780918242 /nfs/dbraw/zinc/91/82/42/780918242.db2.gz WNDUVGOUWJWNMH-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036589 780957369 /nfs/dbraw/zinc/95/73/69/780957369.db2.gz UMAHSULSPGUCEM-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994972 780978966 /nfs/dbraw/zinc/97/89/66/780978966.db2.gz SFZGANKBSQWPGL-FUHWJXTLSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001091068640 790889640 /nfs/dbraw/zinc/88/96/40/790889640.db2.gz XQVBTNHAVUMSPL-HTWSVDAQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642054 783314372 /nfs/dbraw/zinc/31/43/72/783314372.db2.gz AELAIWMFSXXULP-OWCLPIDISA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967208220 783905408 /nfs/dbraw/zinc/90/54/08/783905408.db2.gz RNZCHWDPLJQTPJ-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639223 783915033 /nfs/dbraw/zinc/91/50/33/783915033.db2.gz KVEIOCANFYTRJC-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967709217 784098916 /nfs/dbraw/zinc/09/89/16/784098916.db2.gz XLRTXYWQDJOUKK-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331717 784294677 /nfs/dbraw/zinc/29/46/77/784294677.db2.gz QFTMVMJUNFQPSB-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001091199385 791016531 /nfs/dbraw/zinc/01/65/31/791016531.db2.gz MNKROHHBLPGNLN-LEOMRAHMSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086119657 784419810 /nfs/dbraw/zinc/41/98/10/784419810.db2.gz VZFDREUMDXKIFS-VVLHAWIVSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500171 784936536 /nfs/dbraw/zinc/93/65/36/784936536.db2.gz RAQBTQKNKWTSIP-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001091318880 791087287 /nfs/dbraw/zinc/08/72/87/791087287.db2.gz UBLUNQMGSMGFON-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C#C[C@](C)(CC)Nc1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001169693035 785306496 /nfs/dbraw/zinc/30/64/96/785306496.db2.gz SIPTUJSNKYRXTQ-QGZVFWFLSA-N 2 0 301.438 2.174 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717767 785503443 /nfs/dbraw/zinc/50/34/43/785503443.db2.gz UPSGSERXDCWYNU-XHSDSOJGSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738806 785517984 /nfs/dbraw/zinc/51/79/84/785517984.db2.gz ILNZONPURHXDNO-BBWFWOEESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108830236 785557974 /nfs/dbraw/zinc/55/79/74/785557974.db2.gz GQSNMGFBOUYVBE-BBWFWOEESA-N 2 0 307.482 2.262 20 30 DEEDRP 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 786087027 /nfs/dbraw/zinc/08/70/27/786087027.db2.gz WRLWGTIHJMRABG-QZWWFDLISA-N 2 0 307.482 2.260 20 30 DEEDRP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016598 786128017 /nfs/dbraw/zinc/12/80/17/786128017.db2.gz WDAPJCQEGMBXEA-YVSFHVDLSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014698858 786712280 /nfs/dbraw/zinc/71/22/80/786712280.db2.gz BLAWVBGPOPOTSR-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100320854 787438185 /nfs/dbraw/zinc/43/81/85/787438185.db2.gz VRWNMNQBHCTJBZ-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132366301 788042561 /nfs/dbraw/zinc/04/25/61/788042561.db2.gz ZWJCLYABMSFDJH-ZWKOTPCHSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132892615 788220100 /nfs/dbraw/zinc/22/01/00/788220100.db2.gz HCJSJXGEXNDTIR-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP 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 788254257 /nfs/dbraw/zinc/25/42/57/788254257.db2.gz IHNUCKUOZNEVSE-ZACQAIPSSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133190252 788312439 /nfs/dbraw/zinc/31/24/39/788312439.db2.gz FSBRBODQIBTABX-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274073 788346358 /nfs/dbraw/zinc/34/63/58/788346358.db2.gz AVZOZDULJKIKCK-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369906 788900296 /nfs/dbraw/zinc/90/02/96/788900296.db2.gz USLJCTUUHJXSNB-CVEARBPZSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783011 789082526 /nfs/dbraw/zinc/08/25/26/789082526.db2.gz KEHWEHWCBNNESJ-HZPDHXFCSA-N 2 0 318.465 2.357 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783009 789083578 /nfs/dbraw/zinc/08/35/78/789083578.db2.gz KEHWEHWCBNNESJ-CVEARBPZSA-N 2 0 318.465 2.357 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888252 789127232 /nfs/dbraw/zinc/12/72/32/789127232.db2.gz LJHZBFLOOLMZDG-KBPBESRZSA-N 2 0 300.406 2.397 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994471 789157389 /nfs/dbraw/zinc/15/73/89/789157389.db2.gz RGHHNFOXALLVLK-KGLIPLIRSA-N 2 0 300.406 2.397 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170784782 789168601 /nfs/dbraw/zinc/16/86/01/789168601.db2.gz LCEVNWJYPPLMOV-OAHLLOKOSA-N 2 0 315.889 2.489 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081966 789192833 /nfs/dbraw/zinc/19/28/33/789192833.db2.gz VXFNMIMRSQDUSN-CVEARBPZSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135102370 789199637 /nfs/dbraw/zinc/19/96/37/789199637.db2.gz ZENBQSJDEIRVKI-IRXDYDNUSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001135449969 789347444 /nfs/dbraw/zinc/34/74/44/789347444.db2.gz ALRXFVUYZMCXOQ-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135470817 789356454 /nfs/dbraw/zinc/35/64/54/789356454.db2.gz CHQAXRWSNMZMLC-CVEARBPZSA-N 2 0 317.477 2.463 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676018 789442958 /nfs/dbraw/zinc/44/29/58/789442958.db2.gz OREGETWSOXDIFK-HUUCEWRRSA-N 2 0 303.450 2.421 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001170868932 789562360 /nfs/dbraw/zinc/56/23/60/789562360.db2.gz XBQZGULJUHGRMU-KRWDZBQOSA-N 2 0 303.450 2.351 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944590 789569696 /nfs/dbraw/zinc/56/96/96/789569696.db2.gz MSVLOEKEWTZNGY-KBPBESRZSA-N 2 0 304.438 2.210 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146536523 791307048 /nfs/dbraw/zinc/30/70/48/791307048.db2.gz RTNLDLAFZLURAI-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583522 791316743 /nfs/dbraw/zinc/31/67/43/791316743.db2.gz MHMDOBPDARCLCJ-HOTGVXAUSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583457 791576848 /nfs/dbraw/zinc/57/68/48/791576848.db2.gz QIDDOVRRDNUTCE-GVDBMIGSSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226511 791715952 /nfs/dbraw/zinc/71/59/52/791715952.db2.gz HQVPMWMFXMAJRX-DLBZAZTESA-N 2 0 321.509 2.462 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292898 791731040 /nfs/dbraw/zinc/73/10/40/791731040.db2.gz ZKOOVXIHTYKSTF-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086882639 791835505 /nfs/dbraw/zinc/83/55/05/791835505.db2.gz BZOQXSZRYJFLIK-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086928899 791859442 /nfs/dbraw/zinc/85/94/42/791859442.db2.gz RKWIXVFCUGLVDS-DLBZAZTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671577 792108710 /nfs/dbraw/zinc/10/87/10/792108710.db2.gz MJMNGKANZIKRAB-FGTMMUONSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617151 792752202 /nfs/dbraw/zinc/75/22/02/792752202.db2.gz FYOZQCYIGNXZMK-FHERZECASA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100732855 792818253 /nfs/dbraw/zinc/81/82/53/792818253.db2.gz BDRMBXYOVLJPBN-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CC[NH2+]C1CC(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001100856667 792882262 /nfs/dbraw/zinc/88/22/62/792882262.db2.gz ODNSQDHBGYBCQA-UHFFFAOYSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001101543031 793221189 /nfs/dbraw/zinc/22/11/89/793221189.db2.gz NCCMBTANZDUZAV-NVXWUHKLSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171918719 793251022 /nfs/dbraw/zinc/25/10/22/793251022.db2.gz SCBMTZYYPWOOAO-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001101591058 793253667 /nfs/dbraw/zinc/25/36/67/793253667.db2.gz CNTPKQJLFBPVPZ-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001101591327 793254501 /nfs/dbraw/zinc/25/45/01/793254501.db2.gz SLPWOVUFZBUEBB-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330211 793577994 /nfs/dbraw/zinc/57/79/94/793577994.db2.gz JBMCELBIAXZDNI-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600293 793669748 /nfs/dbraw/zinc/66/97/48/793669748.db2.gz XRTIJWIRYHSKKC-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP CCOC(=O)CC1([NH3+])CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173332864 793679988 /nfs/dbraw/zinc/67/99/88/793679988.db2.gz VEONODVUVGAURF-UHFFFAOYSA-N 2 0 307.438 2.205 20 30 DEEDRP N#CCC1CCC([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001173337767 793681803 /nfs/dbraw/zinc/68/18/03/793681803.db2.gz SQKWCLHRMHBDMT-UHFFFAOYSA-N 2 0 304.482 2.172 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103436337 794092170 /nfs/dbraw/zinc/09/21/70/794092170.db2.gz UJLUAWWSVGTODJ-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905405 794098568 /nfs/dbraw/zinc/09/85/68/794098568.db2.gz KHCFNSHTLMPGNB-IKGGRYGDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174948382 794108277 /nfs/dbraw/zinc/10/82/77/794108277.db2.gz LGSXIJCLNADJIE-CQSZACIVSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755992 794214171 /nfs/dbraw/zinc/21/41/71/794214171.db2.gz TUHUYHLQTZNOAL-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC(=C)C)CC1 ZINC001176737661 794484141 /nfs/dbraw/zinc/48/41/41/794484141.db2.gz MGKFWGPMNMPOQQ-KRWDZBQOSA-N 2 0 319.493 2.172 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753020 794496366 /nfs/dbraw/zinc/49/63/66/794496366.db2.gz CEYNNMUYOQBCAE-QZTJIDSGSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001111870758 794508596 /nfs/dbraw/zinc/50/85/96/794508596.db2.gz MPQIHOIBMXOWLI-AOIWGVFYSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC/C=C\CCC)CC1 ZINC001176925861 794530385 /nfs/dbraw/zinc/53/03/85/794530385.db2.gz CUWQIVPXIBEBHU-SREVYHEPSA-N 2 0 319.493 2.174 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112428721 794632309 /nfs/dbraw/zinc/63/23/09/794632309.db2.gz LSBGAEZHBJLJTD-SCTDSRPQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360947 794908630 /nfs/dbraw/zinc/90/86/30/794908630.db2.gz SXWFLHYJAHCJCQ-ULQDDVLXSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760577 794911556 /nfs/dbraw/zinc/91/15/56/794911556.db2.gz NSFKMVJGISCRSL-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178518726 794939899 /nfs/dbraw/zinc/93/98/99/794939899.db2.gz YAGLQSCIOJULCU-HUUCEWRRSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178889972 795020233 /nfs/dbraw/zinc/02/02/33/795020233.db2.gz CRQDZPPCZXWISK-ULQDDVLXSA-N 2 0 307.482 2.404 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178920681 795031639 /nfs/dbraw/zinc/03/16/39/795031639.db2.gz DROGGDDAZJPXHF-SFHVURJKSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234378 795081271 /nfs/dbraw/zinc/08/12/71/795081271.db2.gz MEPMLYYNNCVLBJ-WMZOPIPTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179398266 795104363 /nfs/dbraw/zinc/10/43/63/795104363.db2.gz DQWXRRANVBLBPQ-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180076741 795236074 /nfs/dbraw/zinc/23/60/74/795236074.db2.gz GCTDZBUACHIFIT-UHFFFAOYSA-N 2 0 304.438 2.213 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180353043 795280347 /nfs/dbraw/zinc/28/03/47/795280347.db2.gz ZBBVARWLUCPFCV-CALCHBBNSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120207758 795421982 /nfs/dbraw/zinc/42/19/82/795421982.db2.gz DVCOKQNSRXHJJP-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208215 795422015 /nfs/dbraw/zinc/42/20/15/795422015.db2.gz VUOMUIVRJSZBFN-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001181508405 795482114 /nfs/dbraw/zinc/48/21/14/795482114.db2.gz WZXBTYPIJPXRJP-YWTNHNAXSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121267823 795609856 /nfs/dbraw/zinc/60/98/56/795609856.db2.gz VXKJCZCPNMKKQK-HVEGKCCWSA-N 2 0 307.482 2.166 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122101770 795725811 /nfs/dbraw/zinc/72/58/11/795725811.db2.gz ZIMNDIKASJQOSK-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001183085768 795797607 /nfs/dbraw/zinc/79/76/07/795797607.db2.gz IDGIKTPGQGUSRW-SFHVURJKSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001183091579 795798634 /nfs/dbraw/zinc/79/86/34/795798634.db2.gz IWVSKQODKOXXCS-CALCHBBNSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184714335 796109341 /nfs/dbraw/zinc/10/93/41/796109341.db2.gz XMDBFRQUBRIJOI-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185159526 796197845 /nfs/dbraw/zinc/19/78/45/796197845.db2.gz ZFJJTZYNBVMEJS-LUKYLMHMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185518054 796276447 /nfs/dbraw/zinc/27/64/47/796276447.db2.gz VXPLHEYJAGKYAX-LSDHHAIUSA-N 2 0 316.449 2.021 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185551327 796281504 /nfs/dbraw/zinc/28/15/04/796281504.db2.gz ZDBGCFFAHCQXLN-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185660020 796301158 /nfs/dbraw/zinc/30/11/58/796301158.db2.gz VNWVGBKZNHOBEJ-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185749542 796309919 /nfs/dbraw/zinc/30/99/19/796309919.db2.gz CJMWQCZGFVMIFT-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028399 796515237 /nfs/dbraw/zinc/51/52/37/796515237.db2.gz NJOCXMLELXFAPA-GJZGRUSLSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001188361095 796666755 /nfs/dbraw/zinc/66/67/55/796666755.db2.gz BREBDOPTXJAZAW-MRXNPFEDSA-N 2 0 321.852 2.061 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561780 797227613 /nfs/dbraw/zinc/22/76/13/797227613.db2.gz UEGZFLGRGKBMFX-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153677430 797375449 /nfs/dbraw/zinc/37/54/49/797375449.db2.gz CZIBEHINCVZLTA-CVEARBPZSA-N 2 0 315.477 2.459 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192385158 797377884 /nfs/dbraw/zinc/37/78/84/797377884.db2.gz FDGCLEUGTPCLSD-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001193389332 797557409 /nfs/dbraw/zinc/55/74/09/797557409.db2.gz BCZBEXKYLPHBSV-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424833 797565153 /nfs/dbraw/zinc/56/51/53/797565153.db2.gz PYOUYOPZIWXHSO-MSOLQXFVSA-N 2 0 315.461 2.398 20 30 DEEDRP CC#CCN1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242909 798030890 /nfs/dbraw/zinc/03/08/90/798030890.db2.gz OZWIACMMWAIWTA-KRWDZBQOSA-N 2 0 316.449 2.028 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961211 798117164 /nfs/dbraw/zinc/11/71/64/798117164.db2.gz IAXSAGGKUXRLFD-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158472950 798412176 /nfs/dbraw/zinc/41/21/76/798412176.db2.gz GXSSPXYHFOEJAB-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751602 798462989 /nfs/dbraw/zinc/46/29/89/798462989.db2.gz ZVCAKOXYSQWIEM-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160286132 798670629 /nfs/dbraw/zinc/67/06/29/798670629.db2.gz NVCMGWQLOFIDMS-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160367224 798679985 /nfs/dbraw/zinc/67/99/85/798679985.db2.gz FQEISXLOJKONQA-SFHVURJKSA-N 2 0 319.493 2.431 20 30 DEEDRP Cc1cnc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C#N)c1 ZINC001201656850 798786797 /nfs/dbraw/zinc/78/67/97/798786797.db2.gz BFMUEDQQEDHVFY-UHFFFAOYSA-N 2 0 308.389 2.152 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144838 798832797 /nfs/dbraw/zinc/83/27/97/798832797.db2.gz KYWOKFTWRDBJLZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144839 798832861 /nfs/dbraw/zinc/83/28/61/798832861.db2.gz KYWOKFTWRDBJLZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202301614 798860206 /nfs/dbraw/zinc/86/02/06/798860206.db2.gz FHSRSDIENJMVDK-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161698916 798914897 /nfs/dbraw/zinc/91/48/97/798914897.db2.gz FYONZEFEJHQRQA-SFHVURJKSA-N 2 0 319.493 2.433 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993635 798987086 /nfs/dbraw/zinc/98/70/86/798987086.db2.gz FYETZOKODVUNED-UHFFFAOYSA-N 2 0 317.477 2.024 20 30 DEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nccc2ccc(C#N)cc21 ZINC001163125776 799251554 /nfs/dbraw/zinc/25/15/54/799251554.db2.gz JUUZCXRPVDVJGG-UHFFFAOYSA-N 2 0 310.405 2.385 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1 ZINC001163147278 799261125 /nfs/dbraw/zinc/26/11/25/799261125.db2.gz MTVRAWVIDTUQTJ-MKXGPGLRSA-N 2 0 313.445 2.408 20 30 DEEDRP 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 799794377 /nfs/dbraw/zinc/79/43/77/799794377.db2.gz MKOSLTROAPCIJC-VQHPVUNQSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203514890 800066710 /nfs/dbraw/zinc/06/67/10/800066710.db2.gz PHLTXYGIDYAYIY-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742415 800115236 /nfs/dbraw/zinc/11/52/36/800115236.db2.gz NIHXTSFYJGLNNS-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742417 800115392 /nfs/dbraw/zinc/11/53/92/800115392.db2.gz NIHXTSFYJGLNNS-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461371 800360460 /nfs/dbraw/zinc/36/04/60/800360460.db2.gz HSDNLWXUOLESCB-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490498 800363439 /nfs/dbraw/zinc/36/34/39/800363439.db2.gz JJNOJPVARPEJGK-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519078 800367302 /nfs/dbraw/zinc/36/73/02/800367302.db2.gz UTBYMMSMCSGBGB-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616718 800387361 /nfs/dbraw/zinc/38/73/61/800387361.db2.gz NGRZIEOCDRKJOR-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206275710 800501344 /nfs/dbraw/zinc/50/13/44/800501344.db2.gz ZGMLMYJZCFHSAD-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC[NH2+]CC1)[C@H]2CC ZINC001207435596 800751534 /nfs/dbraw/zinc/75/15/34/800751534.db2.gz RADJSPPTDFSVMO-HKUYNNGSSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545166 800775938 /nfs/dbraw/zinc/77/59/38/800775938.db2.gz IMPKIUZVWDTWOB-OWCLPIDISA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207871476 800854313 /nfs/dbraw/zinc/85/43/13/800854313.db2.gz MSSNDZQPEKFCGQ-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208279209 800944948 /nfs/dbraw/zinc/94/49/48/800944948.db2.gz KSSZFRNZBZBCLT-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208279260 800945161 /nfs/dbraw/zinc/94/51/61/800945161.db2.gz LTCTYHPVRSIVEG-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208330940 800956755 /nfs/dbraw/zinc/95/67/55/800956755.db2.gz IBCACMNOLGCKGX-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411024 800978250 /nfs/dbraw/zinc/97/82/50/800978250.db2.gz LAWJDRMHJZHSSH-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001209161986 801140217 /nfs/dbraw/zinc/14/02/17/801140217.db2.gz PYJZKTCEOPZWKT-UHFFFAOYSA-N 2 0 318.465 2.257 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408423 801184948 /nfs/dbraw/zinc/18/49/48/801184948.db2.gz NTWYXAYXYZJCEK-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH+]1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001229355973 801262318 /nfs/dbraw/zinc/26/23/18/801262318.db2.gz RSFMAQHZKBHISR-UHFFFAOYSA-N 2 0 304.438 2.279 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209938992 801310918 /nfs/dbraw/zinc/31/09/18/801310918.db2.gz AFGBFTKJOHWBNA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209938991 801310932 /nfs/dbraw/zinc/31/09/32/801310932.db2.gz AFGBFTKJOHWBNA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209950265 801311753 /nfs/dbraw/zinc/31/17/53/801311753.db2.gz DMKZEYRUMIWQDB-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(O)c(C#N)c2)CC1 ZINC001210530589 801418100 /nfs/dbraw/zinc/41/81/00/801418100.db2.gz IESCMTIVSZSETL-UHFFFAOYSA-N 2 0 309.373 2.154 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591787 801429816 /nfs/dbraw/zinc/42/98/16/801429816.db2.gz JKZMHEKTJUTAIF-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230629278 801440931 /nfs/dbraw/zinc/44/09/31/801440931.db2.gz NDEZETUKVMUOTI-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211241638 801536176 /nfs/dbraw/zinc/53/61/76/801536176.db2.gz VHZURSFXOORSCH-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056996 801796880 /nfs/dbraw/zinc/79/68/80/801796880.db2.gz RMPXPPQVEZHYOS-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ccnc3)C[C@@H]21 ZINC001223221923 802774414 /nfs/dbraw/zinc/77/44/14/802774414.db2.gz KAYDKJTYNFSPRU-SJORKVTESA-N 2 0 316.449 2.162 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223916985 802823683 /nfs/dbraw/zinc/82/36/83/802823683.db2.gz YAKGHTXIVDGMCE-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224883509 802914636 /nfs/dbraw/zinc/91/46/36/802914636.db2.gz CQPGHEKZIJEDLV-SFHVURJKSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226170998 803065274 /nfs/dbraw/zinc/06/52/74/803065274.db2.gz USQMZNTUBPGVMP-ZACQAIPSSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226555172 803123851 /nfs/dbraw/zinc/12/38/51/803123851.db2.gz TYAACRIBBGLJBH-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226890049 803172960 /nfs/dbraw/zinc/17/29/60/803172960.db2.gz GJLHEMGNUKRUJV-GVDBMIGSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001228568859 803375852 /nfs/dbraw/zinc/37/58/52/803375852.db2.gz DFHXVPOSVWWOCW-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+](CC)CC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001328588975 1148813614 /nfs/dbraw/zinc/81/36/14/1148813614.db2.gz ROEKRMCBXOFGLQ-UHFFFAOYSA-N 2 0 318.465 2.410 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328748831 1148830876 /nfs/dbraw/zinc/83/08/76/1148830876.db2.gz IIHSZRKCTZVIJS-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001500546612 1058910818 /nfs/dbraw/zinc/91/08/18/1058910818.db2.gz DIVSCOSEGGJFDQ-SFHVURJKSA-N 2 0 318.465 2.445 20 30 DEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)C2 ZINC001501171639 1059349576 /nfs/dbraw/zinc/34/95/76/1059349576.db2.gz FVKGAHKUIBOXKF-BCDXTJNWSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001505513919 1060670950 /nfs/dbraw/zinc/67/09/50/1060670950.db2.gz URWMABOXCZKIAJ-HTWSVDAQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001479369900 1061419433 /nfs/dbraw/zinc/41/94/33/1061419433.db2.gz GFFVKEPGMMLUPX-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479519466 1061488535 /nfs/dbraw/zinc/48/85/35/1061488535.db2.gz LPWYCBWUGWORRD-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001479734844 1061659350 /nfs/dbraw/zinc/65/93/50/1061659350.db2.gz UJVYPDPCIZLYOH-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479747350 1061675937 /nfs/dbraw/zinc/67/59/37/1061675937.db2.gz XQUFKOQJWXOAFL-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001506500372 1062052479 /nfs/dbraw/zinc/05/24/79/1062052479.db2.gz PJRXFNLFUFRFKO-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506661048 1062251992 /nfs/dbraw/zinc/25/19/92/1062251992.db2.gz BLSKLKMPCRDJBX-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001480088249 1062307665 /nfs/dbraw/zinc/30/76/65/1062307665.db2.gz GEMUWZGFLHKVRJ-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480161538 1062408844 /nfs/dbraw/zinc/40/88/44/1062408844.db2.gz GDBXZRQWECQBAT-ULQDDVLXSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480174145 1062426902 /nfs/dbraw/zinc/42/69/02/1062426902.db2.gz STDCONGCUMZWHB-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001506940172 1062561135 /nfs/dbraw/zinc/56/11/35/1062561135.db2.gz HDADZVMYBALSQU-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480386377 1062771197 /nfs/dbraw/zinc/77/11/97/1062771197.db2.gz JHKZJTZMUKZOCW-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001507161367 1062935222 /nfs/dbraw/zinc/93/52/22/1062935222.db2.gz IXTNTCLUMGZTSF-MRXNPFEDSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001507339610 1063123546 /nfs/dbraw/zinc/12/35/46/1063123546.db2.gz ODVHSNZYMYNGSY-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480695635 1063201786 /nfs/dbraw/zinc/20/17/86/1063201786.db2.gz DAJGFXVHSAXNCT-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001507396725 1063223789 /nfs/dbraw/zinc/22/37/89/1063223789.db2.gz FAOVGQFWIAEJSN-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001507417097 1063256466 /nfs/dbraw/zinc/25/64/66/1063256466.db2.gz SGDGTCGHGZHGFD-DOTOQJQBSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480742718 1063282624 /nfs/dbraw/zinc/28/26/24/1063282624.db2.gz QXDYEDFBMXOKGY-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001507961244 1063478299 /nfs/dbraw/zinc/47/82/99/1063478299.db2.gz IJHASMIEKYTSGO-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001493159952 1063608432 /nfs/dbraw/zinc/60/84/32/1063608432.db2.gz FVNBENVAMCBBBC-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493157704 1063610416 /nfs/dbraw/zinc/61/04/16/1063610416.db2.gz AECBPWJVDOKJIB-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001493213106 1063643844 /nfs/dbraw/zinc/64/38/44/1063643844.db2.gz HYVFFZKVFVWDCU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001567729676 1064381854 /nfs/dbraw/zinc/38/18/54/1064381854.db2.gz LRAWMDFXYAVBEH-HOTGVXAUSA-N 2 0 318.465 2.477 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001567727400 1064382213 /nfs/dbraw/zinc/38/22/13/1064382213.db2.gz IBJHJAKIHADKKJ-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568057375 1064622989 /nfs/dbraw/zinc/62/29/89/1064622989.db2.gz SHHUBHNUULZQLM-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001568106240 1064649846 /nfs/dbraw/zinc/64/98/46/1064649846.db2.gz PEEOSHNIDFCBLO-XLAORIBOSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001568126078 1064660232 /nfs/dbraw/zinc/66/02/32/1064660232.db2.gz OYOMHNKOOMQBQR-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001568141086 1064666984 /nfs/dbraw/zinc/66/69/84/1064666984.db2.gz UMBDAZRONAQRRR-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2 ZINC001568155405 1064672438 /nfs/dbraw/zinc/67/24/38/1064672438.db2.gz NLOBYPZLWFAPHC-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001495183432 1064747348 /nfs/dbraw/zinc/74/73/48/1064747348.db2.gz ZBDLIAISZLLXCK-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001568345131 1064792151 /nfs/dbraw/zinc/79/21/51/1064792151.db2.gz CXYVPINRYHLEDY-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCCC1 ZINC001568348819 1064794157 /nfs/dbraw/zinc/79/41/57/1064794157.db2.gz KBGWDTAGXNHFSP-KRWDZBQOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001568431088 1064866899 /nfs/dbraw/zinc/86/68/99/1064866899.db2.gz DTZKZVMPFUAJEZ-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001568470570 1064892522 /nfs/dbraw/zinc/89/25/22/1064892522.db2.gz QLHAWNGWJCQOEV-SFHVURJKSA-N 2 0 315.461 2.116 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001568514915 1064929281 /nfs/dbraw/zinc/92/92/81/1064929281.db2.gz DNAMSTKLWUAAMU-IRXDYDNUSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001568544808 1064955680 /nfs/dbraw/zinc/95/56/80/1064955680.db2.gz IDNYVQLCRGNRFF-MSOLQXFVSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001569173851 1065338753 /nfs/dbraw/zinc/33/87/53/1065338753.db2.gz HBQLFVJVBOXAHG-ROUUACIJSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001496413433 1065455454 /nfs/dbraw/zinc/45/54/54/1065455454.db2.gz FXBRZPRNVXQKTD-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001496512814 1065523218 /nfs/dbraw/zinc/52/32/18/1065523218.db2.gz DDJCRFLDGOQSQI-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCN(C(=O)c1ccc2c[nH+]cn2c1C)C1CC[NH+](CC)CC1 ZINC001569588542 1065610585 /nfs/dbraw/zinc/61/05/85/1065610585.db2.gz HYZKFKBEYYGIIO-UHFFFAOYSA-N 2 0 324.428 2.202 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001569828914 1065749980 /nfs/dbraw/zinc/74/99/80/1065749980.db2.gz QDTYIBUXFRPRBU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001569858820 1065770507 /nfs/dbraw/zinc/77/05/07/1065770507.db2.gz BUIGCACPPIEEQW-YYIAUSFCSA-N 2 0 307.482 2.262 20 30 DEEDRP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C(C)C ZINC001570028011 1065892731 /nfs/dbraw/zinc/89/27/31/1065892731.db2.gz GGGJEMASPOSQJJ-UHFFFAOYSA-N 2 0 315.461 2.098 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001570048651 1065902191 /nfs/dbraw/zinc/90/21/91/1065902191.db2.gz QXIQCVLGPITENP-BZSNNMDCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001570089701 1065920033 /nfs/dbraw/zinc/92/00/33/1065920033.db2.gz ISKYVHXPYPLVFW-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001570263182 1065996153 /nfs/dbraw/zinc/99/61/53/1065996153.db2.gz DYJJORFEFZJOIJ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001570449585 1066076593 /nfs/dbraw/zinc/07/65/93/1066076593.db2.gz RNAWFJCAOLMOJT-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001570504856 1066099362 /nfs/dbraw/zinc/09/93/62/1066099362.db2.gz XGUJOSLLBAOFJF-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001628586160 1078300120 /nfs/dbraw/zinc/30/01/20/1078300120.db2.gz VOYOKLFJINWJOF-ZBFHGGJFSA-N 2 0 321.490 2.365 20 30 DEEDRP C=CCCC[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001497622153 1066193975 /nfs/dbraw/zinc/19/39/75/1066193975.db2.gz VZRLCBSFLRYJDO-VOTSOKGWSA-N 2 0 312.417 2.485 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497834749 1066354714 /nfs/dbraw/zinc/35/47/14/1066354714.db2.gz JMMRBGXVVYQQQH-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497834746 1066355186 /nfs/dbraw/zinc/35/51/86/1066355186.db2.gz JMMRBGXVVYQQQH-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP CC[NH2+]CC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001577837656 1066935914 /nfs/dbraw/zinc/93/59/14/1066935914.db2.gz PIRCEVJYNMOCTM-UHFFFAOYSA-N 2 0 302.378 2.288 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001498904544 1066949316 /nfs/dbraw/zinc/94/93/16/1066949316.db2.gz VJVLJVZDXKCXID-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001483406008 1078513513 /nfs/dbraw/zinc/51/35/13/1078513513.db2.gz PAGODQKUHZTIMX-FUHWJXTLSA-N 2 0 315.461 2.139 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267132762 1078604381 /nfs/dbraw/zinc/60/43/81/1078604381.db2.gz SCFYJLIPZYNJSV-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001267144573 1078611811 /nfs/dbraw/zinc/61/18/11/1078611811.db2.gz AZFFBFQAXZOVEC-JQHSSLGASA-N 2 0 315.461 2.002 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591203 1078614913 /nfs/dbraw/zinc/61/49/13/1078614913.db2.gz AWWDICBVMUIMNF-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001570550706 1068001991 /nfs/dbraw/zinc/00/19/91/1068001991.db2.gz DCCFGUNGHOQASU-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570689358 1068068759 /nfs/dbraw/zinc/06/87/59/1068068759.db2.gz WGNAVYXTPXSESY-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001570847113 1068138601 /nfs/dbraw/zinc/13/86/01/1068138601.db2.gz CHSNSRLZKHTTQX-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+](C)CCNC(=O)Cc1cn2cccc(C)c2n1 ZINC001267221615 1078676627 /nfs/dbraw/zinc/67/66/27/1078676627.db2.gz PBJZRPLJDWQSNG-UHFFFAOYSA-N 2 0 314.433 2.199 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001571467706 1068319699 /nfs/dbraw/zinc/31/96/99/1068319699.db2.gz PLFHPTIHLKRIIA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267302960 1078749421 /nfs/dbraw/zinc/74/94/21/1078749421.db2.gz JCRBAVQFPINYKS-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001521462341 1069245047 /nfs/dbraw/zinc/24/50/47/1069245047.db2.gz DCMWMXWDYGQHBJ-MAUKXSAKSA-N 2 0 315.461 2.233 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267473995 1078894791 /nfs/dbraw/zinc/89/47/91/1078894791.db2.gz NAPJPDWVTYVIEC-OAHLLOKOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001267526532 1078957265 /nfs/dbraw/zinc/95/72/65/1078957265.db2.gz VUCHKJILRWTKMA-GOSISDBHSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001483743969 1078980250 /nfs/dbraw/zinc/98/02/50/1078980250.db2.gz JTRXRWQQOUTUPS-HOTGVXAUSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267585594 1079089765 /nfs/dbraw/zinc/08/97/65/1079089765.db2.gz YKSGXDHVITXGOT-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001329356074 1148887319 /nfs/dbraw/zinc/88/73/19/1148887319.db2.gz HEJVCNITEIYDSB-DLBZAZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CC(C)C)CC1 ZINC001329358898 1148887902 /nfs/dbraw/zinc/88/79/02/1148887902.db2.gz UDDOPOXZNOMQIL-UHFFFAOYSA-N 2 0 321.509 2.062 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001484014530 1079243427 /nfs/dbraw/zinc/24/34/27/1079243427.db2.gz OBWXIHMLCJPJDY-OAHLLOKOSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001565976368 1075211798 /nfs/dbraw/zinc/21/17/98/1075211798.db2.gz WIGSLGXDFFXMPW-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267700947 1079388408 /nfs/dbraw/zinc/38/84/08/1079388408.db2.gz KQEIDQBHPWVEHM-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566894241 1075377311 /nfs/dbraw/zinc/37/73/11/1075377311.db2.gz XXEVDYYOHUOPCC-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001566943012 1075395342 /nfs/dbraw/zinc/39/53/42/1075395342.db2.gz XFVSCMFBGQAQTJ-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566966331 1075402913 /nfs/dbraw/zinc/40/29/13/1075402913.db2.gz UFNQJXCYUDWBIB-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001567068597 1075426226 /nfs/dbraw/zinc/42/62/26/1075426226.db2.gz BSCGNWZBXGIADY-OAHLLOKOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567128345 1075438066 /nfs/dbraw/zinc/43/80/66/1075438066.db2.gz NYVZDNKHSXNGPL-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267927822 1079609278 /nfs/dbraw/zinc/60/92/78/1079609278.db2.gz OPSKTJGTTOKTHN-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001267948455 1079626546 /nfs/dbraw/zinc/62/65/46/1079626546.db2.gz GDAJUXOGYQCOQZ-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCC1 ZINC001484636804 1079704923 /nfs/dbraw/zinc/70/49/23/1079704923.db2.gz JMVKFBBKAFCUAU-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001484768609 1079795377 /nfs/dbraw/zinc/79/53/77/1079795377.db2.gz CRLKYIBBAVOBEU-UHFFFAOYSA-N 2 0 315.461 2.165 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001484924297 1079857259 /nfs/dbraw/zinc/85/72/59/1079857259.db2.gz NDXBZWMYZHLCKQ-UHFFFAOYSA-N 2 0 321.509 2.493 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481451736 1079876212 /nfs/dbraw/zinc/87/62/12/1079876212.db2.gz RRFZLORFVYAAGN-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485068666 1079946252 /nfs/dbraw/zinc/94/62/52/1079946252.db2.gz GKHPDBBASORVRJ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485144949 1080012380 /nfs/dbraw/zinc/01/23/80/1080012380.db2.gz AQUHXABCUQWSLO-UONOGXRCSA-N 2 0 315.889 2.486 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001656888919 1080135127 /nfs/dbraw/zinc/13/51/27/1080135127.db2.gz AUFYMXGQZKXZIY-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001656899965 1080136393 /nfs/dbraw/zinc/13/63/93/1080136393.db2.gz WSNZWPNRWMUSAG-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001657075968 1080151881 /nfs/dbraw/zinc/15/18/81/1080151881.db2.gz MHAAAZXLLGFEAW-KRWDZBQOSA-N 2 0 321.509 2.301 20 30 DEEDRP N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001658472597 1080208732 /nfs/dbraw/zinc/20/87/32/1080208732.db2.gz OUPCXBXGFZLRJJ-KRWDZBQOSA-N 2 0 315.380 2.396 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001268280945 1080259190 /nfs/dbraw/zinc/25/91/90/1080259190.db2.gz OSZIXMRIACSOLE-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481688537 1080299036 /nfs/dbraw/zinc/29/90/36/1080299036.db2.gz ZAUZZPLURROYDT-ROUUACIJSA-N 2 0 321.509 2.489 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001485582217 1080313560 /nfs/dbraw/zinc/31/35/60/1080313560.db2.gz MXVNBXAIQCWXGB-CVEARBPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001272701372 1080444815 /nfs/dbraw/zinc/44/48/15/1080444815.db2.gz WANFPONRMOUNFH-WBVHZDCISA-N 2 0 315.461 2.481 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001661127451 1080445434 /nfs/dbraw/zinc/44/54/34/1080445434.db2.gz NSFBTZLJMWYFID-FUHWJXTLSA-N 2 0 319.493 2.311 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481781477 1080501240 /nfs/dbraw/zinc/50/12/40/1080501240.db2.gz DUEVZBSNORBLQZ-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001661842823 1080531880 /nfs/dbraw/zinc/53/18/80/1080531880.db2.gz VHEDPNYNWVDYPK-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001661881462 1080539646 /nfs/dbraw/zinc/53/96/46/1080539646.db2.gz YTJGEIVQTYBAPJ-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001661921989 1080545484 /nfs/dbraw/zinc/54/54/84/1080545484.db2.gz RZJNYFFVHUWXJL-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037643 1080551782 /nfs/dbraw/zinc/55/17/82/1080551782.db2.gz ZGLIBLFSTJCKET-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001662675921 1080632666 /nfs/dbraw/zinc/63/26/66/1080632666.db2.gz UXQKTMPZUOKZED-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001664574129 1080928127 /nfs/dbraw/zinc/92/81/27/1080928127.db2.gz PKXPHQMCXVSUDU-ROUUACIJSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001664587646 1080928672 /nfs/dbraw/zinc/92/86/72/1080928672.db2.gz DNYMDXOCXFGXGF-IAGOWNOFSA-N 2 0 303.450 2.206 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001664760815 1080957135 /nfs/dbraw/zinc/95/71/35/1080957135.db2.gz ZGLHDGHUMRYESH-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268747819 1080966305 /nfs/dbraw/zinc/96/63/05/1080966305.db2.gz UKQRYXPFYQHZAA-YOEHRIQHSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001664876489 1080975043 /nfs/dbraw/zinc/97/50/43/1080975043.db2.gz YDMTXJVVEOTCBA-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001666134836 1081127323 /nfs/dbraw/zinc/12/73/23/1081127323.db2.gz GZWSSTYUAIAVLW-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001666330197 1081145382 /nfs/dbraw/zinc/14/53/82/1081145382.db2.gz CBZHEXDXJKVWCF-GOSISDBHSA-N 2 0 315.461 2.453 20 30 DEEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001269403610 1081239209 /nfs/dbraw/zinc/23/92/09/1081239209.db2.gz YGUPLQJOYZAMJF-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001269403609 1081239612 /nfs/dbraw/zinc/23/96/12/1081239612.db2.gz YGUPLQJOYZAMJF-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001269613594 1081307326 /nfs/dbraw/zinc/30/73/26/1081307326.db2.gz BQMZKBYKCPQJEO-HKUYNNGSSA-N 2 0 319.493 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269760304 1081358131 /nfs/dbraw/zinc/35/81/31/1081358131.db2.gz IYXDJVDRFFAIRC-HNNXBMFYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001482245065 1081374854 /nfs/dbraw/zinc/37/48/54/1081374854.db2.gz AKSGOXLGHBXRRL-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)CCCn2ccnc2)CC1 ZINC001671867690 1081544536 /nfs/dbraw/zinc/54/45/36/1081544536.db2.gz IGDXJILMCFJLHH-UHFFFAOYSA-N 2 0 318.465 2.458 20 30 DEEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001270616817 1081564176 /nfs/dbraw/zinc/56/41/76/1081564176.db2.gz YPGBKVDGBDUYRR-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)Cn2ccnc2C(C)C)C1 ZINC001270631474 1081575416 /nfs/dbraw/zinc/57/54/16/1081575416.db2.gz CANJJHQJMPEJGZ-KRWDZBQOSA-N 2 0 304.438 2.163 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001673129116 1081740491 /nfs/dbraw/zinc/74/04/91/1081740491.db2.gz IKPYNYMIGZHEOR-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001673651720 1081788755 /nfs/dbraw/zinc/78/87/55/1081788755.db2.gz ZMDHRDCRIVXGNR-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001674135832 1081843369 /nfs/dbraw/zinc/84/33/69/1081843369.db2.gz SFCKTTNPCRIZSA-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001674506645 1081884788 /nfs/dbraw/zinc/88/47/88/1081884788.db2.gz YWLPVFNHILNLDP-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266472665 1082060580 /nfs/dbraw/zinc/06/05/80/1082060580.db2.gz OPOGWUHZDSATTJ-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001271491432 1082062491 /nfs/dbraw/zinc/06/24/91/1082062491.db2.gz RCEBBOHIHJUJAZ-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001648839001 1082102592 /nfs/dbraw/zinc/10/25/92/1082102592.db2.gz LKEPWUFZNJDPNQ-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001271884604 1082180801 /nfs/dbraw/zinc/18/08/01/1082180801.db2.gz KTBOMJCQWXRSFQ-YESZJQIVSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001271898797 1082185464 /nfs/dbraw/zinc/18/54/64/1082185464.db2.gz WRZNCLLUTKVFPA-HDICACEKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001266658879 1082254387 /nfs/dbraw/zinc/25/43/87/1082254387.db2.gz JMXXPQCEQKKMDO-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266793538 1082348953 /nfs/dbraw/zinc/34/89/53/1082348953.db2.gz PKYQSUZPECBXNZ-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001671257823 1082371872 /nfs/dbraw/zinc/37/18/72/1082371872.db2.gz WXOLNATZTCZUFU-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266868006 1082414501 /nfs/dbraw/zinc/41/45/01/1082414501.db2.gz RTBLFPJTUPMSTN-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 1082443845 /nfs/dbraw/zinc/44/38/45/1082443845.db2.gz VUOSTTULTLRTQZ-YLALRLGGSA-N 2 0 319.493 2.118 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001283297352 1082469247 /nfs/dbraw/zinc/46/92/47/1082469247.db2.gz XZTLMYSIBMIIOA-RDJZCZTQSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954845 1082575821 /nfs/dbraw/zinc/57/58/21/1082575821.db2.gz QMBHMWOTAQTLRI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001424856476 1082730079 /nfs/dbraw/zinc/73/00/79/1082730079.db2.gz MULYFCUFTDHBKC-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001276589019 1083504062 /nfs/dbraw/zinc/50/40/62/1083504062.db2.gz MHUPUMBRJKXFEC-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001277101856 1083775321 /nfs/dbraw/zinc/77/53/21/1083775321.db2.gz MLZZQKXXGRATLJ-OAHLLOKOSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001490904330 1083883985 /nfs/dbraw/zinc/88/39/85/1083883985.db2.gz ADQZETIJZXCLDR-FZKCQIBNSA-N 2 0 316.449 2.037 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001490905574 1083887572 /nfs/dbraw/zinc/88/75/72/1083887572.db2.gz QTKNCBBOTRYLEB-SHTZXODSSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001277324927 1083912270 /nfs/dbraw/zinc/91/22/70/1083912270.db2.gz UTXORYJOGCVFEM-ALOPSCKCSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001078757173 1084850746 /nfs/dbraw/zinc/85/07/46/1084850746.db2.gz QBSCGVGBSSHQCY-IRXDYDNUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001486208433 1085111955 /nfs/dbraw/zinc/11/19/55/1085111955.db2.gz UYTDTVYQOFBTNH-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001486238393 1085158272 /nfs/dbraw/zinc/15/82/72/1085158272.db2.gz SQRVXBBVVVTPLC-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001486423326 1085296514 /nfs/dbraw/zinc/29/65/14/1085296514.db2.gz FZGHLQQHAOZRDS-IAGOWNOFSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961570872 1085791626 /nfs/dbraw/zinc/79/16/26/1085791626.db2.gz ZUJJKHLYYDZXCB-XDNAFOTISA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCC1 ZINC001273084378 1086160404 /nfs/dbraw/zinc/16/04/04/1086160404.db2.gz MGNOSQBYOLLQEL-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957325701 1088173775 /nfs/dbraw/zinc/17/37/75/1088173775.db2.gz UJPGJBAONBQIIR-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850141 1088474893 /nfs/dbraw/zinc/47/48/93/1088474893.db2.gz HLVSFUAOYOBWCL-NXHRZFHOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406452 1090290695 /nfs/dbraw/zinc/29/06/95/1090290695.db2.gz PIXKCIBXFNGEHR-KBAYOESNSA-N 2 0 317.477 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752184 1090424240 /nfs/dbraw/zinc/42/42/40/1090424240.db2.gz YKWAVXBSBMWMAP-QZTJIDSGSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001410394718 1090611670 /nfs/dbraw/zinc/61/16/70/1090611670.db2.gz XWNLVWLKXFZIFF-UONOGXRCSA-N 2 0 301.862 2.048 20 30 DEEDRP C=CCCCC[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001274974660 1091497433 /nfs/dbraw/zinc/49/74/33/1091497433.db2.gz ONMKYMOUTGZEBE-ZWKOTPCHSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001275179643 1091603537 /nfs/dbraw/zinc/60/35/37/1091603537.db2.gz JSRNGYOFWPTDSQ-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001275233086 1091626271 /nfs/dbraw/zinc/62/62/71/1091626271.db2.gz NQPHCLFHSTUOSI-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001275491824 1091801806 /nfs/dbraw/zinc/80/18/06/1091801806.db2.gz JYBSBMYLSUOKIE-CABCVRRESA-N 2 0 303.450 2.073 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273487438 1091877649 /nfs/dbraw/zinc/87/76/49/1091877649.db2.gz KHBOWFSWNWPXQH-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948886221 1091980503 /nfs/dbraw/zinc/98/05/03/1091980503.db2.gz KOIRDUSPXGSVQZ-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001446017159 1092075085 /nfs/dbraw/zinc/07/50/85/1092075085.db2.gz SJUXDCKRXJKHJB-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001275928561 1092324225 /nfs/dbraw/zinc/32/42/25/1092324225.db2.gz OCIGKKRDIVAGMZ-YOEHRIQHSA-N 2 0 313.461 2.212 20 30 DEEDRP C#CCCC[N@@H+]1C[C@@H]2CCN(Cc3nccn3CC)CC[C@@H]2C1 ZINC001275975375 1092414768 /nfs/dbraw/zinc/41/47/68/1092414768.db2.gz AMCBBQTXXFCAFB-HDICACEKSA-N 2 0 314.477 2.460 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)CCC=C)CC1 ZINC001276011052 1092504694 /nfs/dbraw/zinc/50/46/94/1092504694.db2.gz KZYHYBVHJFXQDG-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001488912373 1092813503 /nfs/dbraw/zinc/81/35/03/1092813503.db2.gz MZCUKQNFYPSFGA-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691713838 1138209042 /nfs/dbraw/zinc/20/90/42/1138209042.db2.gz VYVDMSFXLCAGMY-WCXIOVBPSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001278007996 1138419430 /nfs/dbraw/zinc/41/94/30/1138419430.db2.gz ZEKDPNSJNGAKKG-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001278308532 1139256715 /nfs/dbraw/zinc/25/67/15/1139256715.db2.gz OPBWROHMESYYEV-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001316667123 1140165987 /nfs/dbraw/zinc/16/59/87/1140165987.db2.gz PFNMDBZTEDXGGN-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318482848 1140345319 /nfs/dbraw/zinc/34/53/19/1140345319.db2.gz MTBXCASRINKQSO-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C[NH2+]Cc1cccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1F ZINC001244860349 1140489004 /nfs/dbraw/zinc/48/90/04/1140489004.db2.gz LSWKWDCWYXWXAC-UHFFFAOYSA-N 2 0 324.403 2.493 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001319021371 1140491870 /nfs/dbraw/zinc/49/18/70/1140491870.db2.gz YFFVCXHHJRXUBB-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001319113603 1140506562 /nfs/dbraw/zinc/50/65/62/1140506562.db2.gz LZVCHRIMGIXEDJ-JKSUJKDBSA-N 2 0 304.438 2.381 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319862450 1140776519 /nfs/dbraw/zinc/77/65/19/1140776519.db2.gz VHRMKSKJCZXLPM-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001319943769 1140805769 /nfs/dbraw/zinc/80/57/69/1140805769.db2.gz LMVRGHWZWSJJPN-DOTOQJQBSA-N 2 0 309.498 2.413 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245987306 1140842559 /nfs/dbraw/zinc/84/25/59/1140842559.db2.gz YXCRLZXIMPMHBZ-XSLAGTTESA-N 2 0 312.498 2.312 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246002073 1140844965 /nfs/dbraw/zinc/84/49/65/1140844965.db2.gz TXOYARQPVORKTB-QZTJIDSGSA-N 2 0 322.424 2.020 20 30 DEEDRP Cc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H]2CCN[C@H](C#N)C2)CC[NH2+]CC1 ZINC001246123817 1140863886 /nfs/dbraw/zinc/86/38/86/1140863886.db2.gz FNUNAAOEZLWKSQ-BXWFABGCSA-N 2 0 324.472 2.295 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320462729 1140868920 /nfs/dbraw/zinc/86/89/20/1140868920.db2.gz CJJONOTVPAXHBA-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246406587 1140894610 /nfs/dbraw/zinc/89/46/10/1140894610.db2.gz QUGDHVKPYLROQE-FGTMMUONSA-N 2 0 316.424 2.100 20 30 DEEDRP C=CCC[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001320777324 1140920599 /nfs/dbraw/zinc/92/05/99/1140920599.db2.gz LBVGWXAHITXPHS-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001278496202 1141650026 /nfs/dbraw/zinc/65/00/26/1141650026.db2.gz YNFIHHUURUMKGU-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001323860195 1141894011 /nfs/dbraw/zinc/89/40/11/1141894011.db2.gz OQVIDTZNUXKYQK-GOSISDBHSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001323873523 1141895531 /nfs/dbraw/zinc/89/55/31/1141895531.db2.gz PEXVNAGHWISDNO-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001324260270 1142043228 /nfs/dbraw/zinc/04/32/28/1142043228.db2.gz GFRQJQOIUVEBDU-ZWKOTPCHSA-N 2 0 315.461 2.446 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001278579577 1142234684 /nfs/dbraw/zinc/23/46/84/1142234684.db2.gz LNQMSHRRXBRHII-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCOC[C@H](O)C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001252473236 1142727154 /nfs/dbraw/zinc/72/71/54/1142727154.db2.gz IXELQCDJKWLPNT-LJQANCHMSA-N 2 0 324.509 2.384 20 30 DEEDRP C=CCC[C@H](O)C[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001252588465 1142773225 /nfs/dbraw/zinc/77/32/25/1142773225.db2.gz APHOMVCGSVLLBZ-AWEZNQCLSA-N 2 0 312.479 2.491 20 30 DEEDRP C=CCC[C@@H](O)C[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001252602782 1142784005 /nfs/dbraw/zinc/78/40/05/1142784005.db2.gz GPUHJURRHGSXOF-GOSISDBHSA-N 2 0 311.514 2.053 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278685529 1142827699 /nfs/dbraw/zinc/82/76/99/1142827699.db2.gz AEYGEHCOSLVGPU-AEFFLSMTSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC001338447281 1142856458 /nfs/dbraw/zinc/85/64/58/1142856458.db2.gz AGKNQLKMBOJSGA-IXDOHACOSA-N 2 0 322.497 2.112 20 30 DEEDRP N#CC1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC001254047027 1143030497 /nfs/dbraw/zinc/03/04/97/1143030497.db2.gz HDGXYNPNDDEKCB-UHFFFAOYSA-N 2 0 313.445 2.297 20 30 DEEDRP C[C@]1(C#N)CC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254041635 1143030731 /nfs/dbraw/zinc/03/07/31/1143030731.db2.gz MTBCENDCIDWPKI-GOSISDBHSA-N 2 0 313.445 2.249 20 30 DEEDRP C#CC1CC[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254041465 1143031220 /nfs/dbraw/zinc/03/12/20/1143031220.db2.gz KFBPDPAWRIVBPO-UHFFFAOYSA-N 2 0 312.457 2.359 20 30 DEEDRP N#C[C@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001254664779 1143307429 /nfs/dbraw/zinc/30/74/29/1143307429.db2.gz XJGXNWFZWOYGCQ-HOTGVXAUSA-N 2 0 313.449 2.029 20 30 DEEDRP N#C[C@@H]1CC[C@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001254664773 1143307480 /nfs/dbraw/zinc/30/74/80/1143307480.db2.gz XJGXNWFZWOYGCQ-CVEARBPZSA-N 2 0 313.449 2.029 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001278911502 1143830238 /nfs/dbraw/zinc/83/02/38/1143830238.db2.gz BDFNUDQDWBXITC-KRWDZBQOSA-N 2 0 307.482 2.053 20 30 DEEDRP N#CC1CCC([N@H+]2CCc3ncc(Cn4cccn4)n3CC2)CC1 ZINC001256968663 1143877216 /nfs/dbraw/zinc/87/72/16/1143877216.db2.gz YCMINRPRHAZTRF-UHFFFAOYSA-N 2 0 324.432 2.068 20 30 DEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001263238850 1144362735 /nfs/dbraw/zinc/36/27/35/1144362735.db2.gz VKVBKLBSIQTFJM-OAHLLOKOSA-N 2 0 313.486 2.031 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001264372558 1144517240 /nfs/dbraw/zinc/51/72/40/1144517240.db2.gz HSRPRALHRHKZNI-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001264380953 1144522278 /nfs/dbraw/zinc/52/22/78/1144522278.db2.gz UITPFWMMZZPLMH-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265309936 1144689629 /nfs/dbraw/zinc/68/96/29/1144689629.db2.gz DCNRCIAHULARDD-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001265334339 1144695310 /nfs/dbraw/zinc/69/53/10/1144695310.db2.gz PAKVGQKLYFEIRZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001265610789 1144717587 /nfs/dbraw/zinc/71/75/87/1144717587.db2.gz CAAWFMOBIUGTTN-CVEARBPZSA-N 2 0 313.461 2.071 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265991000 1144778645 /nfs/dbraw/zinc/77/86/45/1144778645.db2.gz YDXVSQYMQJUJNI-HNNXBMFYSA-N 2 0 312.417 2.271 20 30 DEEDRP C=CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266010438 1144784940 /nfs/dbraw/zinc/78/49/40/1144784940.db2.gz ISYSMUHFQXZCNQ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281559634 1144897364 /nfs/dbraw/zinc/89/73/64/1144897364.db2.gz XYXCFRFOZFXZCS-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001284104932 1145800104 /nfs/dbraw/zinc/80/01/04/1145800104.db2.gz ZXIRSEKEZLFZOL-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316671068 1147114392 /nfs/dbraw/zinc/11/43/92/1147114392.db2.gz QXQNTMVXQOJZAJ-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316949519 1147574429 /nfs/dbraw/zinc/57/44/29/1147574429.db2.gz UGSMXAODOQHZDC-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001316773736 1147577967 /nfs/dbraw/zinc/57/79/67/1147577967.db2.gz PAMBBKTXDDJKNQ-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001316772358 1147596691 /nfs/dbraw/zinc/59/66/91/1147596691.db2.gz YPQPXZOWHLOTKN-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001316951366 1147637934 /nfs/dbraw/zinc/63/79/34/1147637934.db2.gz JATDNHGVZQUEFS-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317155846 1147667762 /nfs/dbraw/zinc/66/77/62/1147667762.db2.gz PRTIHHRBJLDENB-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001317172382 1147670314 /nfs/dbraw/zinc/67/03/14/1147670314.db2.gz IUSBPAYOYGZEAS-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317201944 1147675588 /nfs/dbraw/zinc/67/55/88/1147675588.db2.gz DPQROPZZXKZDNU-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001317204094 1147675941 /nfs/dbraw/zinc/67/59/41/1147675941.db2.gz ATKTUXHJPYFZLA-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317340983 1147693135 /nfs/dbraw/zinc/69/31/35/1147693135.db2.gz YJBTVKOMCBEIPR-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001317399308 1147701757 /nfs/dbraw/zinc/70/17/57/1147701757.db2.gz SPVXGEFATYTTGJ-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001317679076 1147742501 /nfs/dbraw/zinc/74/25/01/1147742501.db2.gz ZWDMRTDLRPQNPK-AWEZNQCLSA-N 2 0 324.428 2.106 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317842537 1147756902 /nfs/dbraw/zinc/75/69/02/1147756902.db2.gz TYZONKQSJBGOLB-INIZCTEOSA-N 2 0 324.428 2.060 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001318308359 1147809847 /nfs/dbraw/zinc/80/98/47/1147809847.db2.gz YVFPIBXZRRIZOB-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001324800267 1147846227 /nfs/dbraw/zinc/84/62/27/1147846227.db2.gz YBKSQPHGZOHQSM-SFHVURJKSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325897214 1148015457 /nfs/dbraw/zinc/01/54/57/1148015457.db2.gz JQUIZCJRHYMEGV-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001326271756 1148067129 /nfs/dbraw/zinc/06/71/29/1148067129.db2.gz CDKQCJGXQJRWCG-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001326526100 1148132796 /nfs/dbraw/zinc/13/27/96/1148132796.db2.gz ZXIMROKUOBUACX-XLAORIBOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001326602642 1148159047 /nfs/dbraw/zinc/15/90/47/1148159047.db2.gz FEYQBCKFZVGXTM-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])NC3CC3)cc2)CC1 ZINC000066242826 354705902 /nfs/dbraw/zinc/70/59/02/354705902.db2.gz PBFLWLMMLKROEA-UHFFFAOYSA-N 2 0 300.450 2.485 20 30 DEEDRP CC[NH+](CC)CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029657 355461658 /nfs/dbraw/zinc/46/16/58/355461658.db2.gz XDROEHINJRXYDL-OAHLLOKOSA-N 2 0 304.438 2.146 20 30 DEEDRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180184308 356044463 /nfs/dbraw/zinc/04/44/63/356044463.db2.gz RKFJIWGSGASZAO-INIZCTEOSA-N 2 0 323.444 2.390 20 30 DEEDRP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000291663579 404469393 /nfs/dbraw/zinc/46/93/93/404469393.db2.gz FKICVKOUMIUNQQ-OAHLLOKOSA-N 2 0 300.450 2.314 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)nc1 ZINC000591570862 357736512 /nfs/dbraw/zinc/73/65/12/357736512.db2.gz XUMYRZSCYPLSFH-NVXWUHKLSA-N 2 0 313.449 2.029 20 30 DEEDRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594436635 358270372 /nfs/dbraw/zinc/27/03/72/358270372.db2.gz PALBODIEGXIFBF-MRXNPFEDSA-N 2 0 308.470 2.121 20 30 DEEDRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598721198 359305579 /nfs/dbraw/zinc/30/55/79/359305579.db2.gz UDABVWMAYLQJEQ-INIZCTEOSA-N 2 0 319.449 2.017 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000602535743 360422571 /nfs/dbraw/zinc/42/25/71/360422571.db2.gz RKGYCSQIPFMDLB-HNNXBMFYSA-N 2 0 316.449 2.007 20 30 DEEDRP Cc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1C#N ZINC000443990310 238135432 /nfs/dbraw/zinc/13/54/32/238135432.db2.gz NSRZFTMHARGVCI-LJQANCHMSA-N 2 0 314.477 2.228 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451532267 243072461 /nfs/dbraw/zinc/07/24/61/243072461.db2.gz KQUGHIOFXCHFEM-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000537661774 285010217 /nfs/dbraw/zinc/01/02/17/285010217.db2.gz UWFCJGOCWOQQEC-INIZCTEOSA-N 2 0 318.490 2.220 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000159251942 197340426 /nfs/dbraw/zinc/34/04/26/197340426.db2.gz XQXCTBTXZBSGCW-QGZVFWFLSA-N 2 0 322.497 2.009 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000079205037 401870939 /nfs/dbraw/zinc/87/09/39/401870939.db2.gz UKDMKWGRIIIBGW-QGZVFWFLSA-N 2 0 322.497 2.078 20 30 DEEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000104180778 402199679 /nfs/dbraw/zinc/19/96/79/402199679.db2.gz RLWQHPYEYAXVLD-AWEZNQCLSA-N 2 0 308.495 2.439 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000106272042 402212373 /nfs/dbraw/zinc/21/23/73/402212373.db2.gz UCXDMIXZOVXINX-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160687330 402357176 /nfs/dbraw/zinc/35/71/76/402357176.db2.gz WTJMKYDJFWXESQ-SNVBAGLBSA-N 2 0 316.327 2.406 20 30 DEEDRP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000177380476 402395833 /nfs/dbraw/zinc/39/58/33/402395833.db2.gz VQQQVTADFXSGJL-UHFFFAOYSA-N 2 0 300.450 2.016 20 30 DEEDRP C=CCC[C@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961366 402729396 /nfs/dbraw/zinc/72/93/96/402729396.db2.gz LDJBDOSYSZSAKN-SFHVURJKSA-N 2 0 310.482 2.138 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000262334889 402724570 /nfs/dbraw/zinc/72/45/70/402724570.db2.gz ZANUKXNTOANBPX-IXDOHACOSA-N 2 0 307.482 2.319 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280548639 403011733 /nfs/dbraw/zinc/01/17/33/403011733.db2.gz IXHKGBWEMVQJLA-XIRDDKMYSA-N 2 0 318.440 2.460 20 30 DEEDRP CCN(CC)C(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284061172 403241958 /nfs/dbraw/zinc/24/19/58/403241958.db2.gz PZJPGORIFLYYST-UHFFFAOYSA-N 2 0 318.465 2.316 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000345747059 403466892 /nfs/dbraw/zinc/46/68/92/403466892.db2.gz AZCDUQLDJQCICF-JKSUJKDBSA-N 2 0 322.497 2.151 20 30 DEEDRP C=CCN1CC[C@H]([NH+]2CCC(C[N@@H+](C)CCCC)CC2)C1=O ZINC000337129333 403967434 /nfs/dbraw/zinc/96/74/34/403967434.db2.gz IKRIIAYXKAZZHT-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CCN(c2nccn2C)CC1 ZINC000330049044 404537763 /nfs/dbraw/zinc/53/77/63/404537763.db2.gz JBCPSKIFPYCFPN-OKILXGFUSA-N 2 0 319.453 2.218 20 30 DEEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424136614 405017865 /nfs/dbraw/zinc/01/78/65/405017865.db2.gz RADGFBOVDDMNML-QGZVFWFLSA-N 2 0 316.449 2.164 20 30 DEEDRP C[C@@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+](C)Cc1ccccc1 ZINC000424155989 405025578 /nfs/dbraw/zinc/02/55/78/405025578.db2.gz OMLRALODKHCEAC-RDJZCZTQSA-N 2 0 316.449 2.034 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000424370197 405075664 /nfs/dbraw/zinc/07/56/64/405075664.db2.gz DHZOQBYAFHVVMO-RTBURBONSA-N 2 0 312.461 2.382 20 30 DEEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421368395 405476577 /nfs/dbraw/zinc/47/65/77/405476577.db2.gz UOJGCQOBBXKPCT-UHFFFAOYSA-N 2 0 305.397 2.022 20 30 DEEDRP C[C@H]1CCCN(C(=[NH2+])NCCN2CCc3sccc3C2)C1 ZINC000261993847 225261574 /nfs/dbraw/zinc/26/15/74/225261574.db2.gz NCLVHUXHKKAMEO-ZDUSSCGKSA-N 2 0 306.479 2.153 20 30 DEEDRP Cc1cc(C)cc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)c1 ZINC000267300920 225353663 /nfs/dbraw/zinc/35/36/63/225353663.db2.gz KEEWDECBYXEKCV-UHFFFAOYSA-N 2 0 317.481 2.056 20 30 DEEDRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422982181 230303430 /nfs/dbraw/zinc/30/34/30/230303430.db2.gz VVZNVTMFEHMFDD-KCQAQPDRSA-N 2 0 304.413 2.382 20 30 DEEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nn1 ZINC000657816072 425404888 /nfs/dbraw/zinc/40/48/88/425404888.db2.gz UWMNIAOSTMPAAX-UHFFFAOYSA-N 2 0 303.454 2.066 20 30 DEEDRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000263096540 277073071 /nfs/dbraw/zinc/07/30/71/277073071.db2.gz JLGWQGIFXLDGPI-ZBFHGGJFSA-N 2 0 316.449 2.146 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)C(C)C ZINC000270360936 277850142 /nfs/dbraw/zinc/85/01/42/277850142.db2.gz XOJUVQXANMMIJD-DLBZAZTESA-N 2 0 307.482 2.191 20 30 DEEDRP CN(CCC[N@H+](C)Cc1ccc(CC#N)cc1)CC[NH+](C)C ZINC000344066315 289132947 /nfs/dbraw/zinc/13/29/47/289132947.db2.gz OUWXFNNCUVANKP-UHFFFAOYSA-N 2 0 302.466 2.068 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001329860302 1149005409 /nfs/dbraw/zinc/00/54/09/1149005409.db2.gz BOVWALOTJPYRMT-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001330210364 1149070858 /nfs/dbraw/zinc/07/08/58/1149070858.db2.gz OWJIPVVOXPEJGF-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)c(F)c1 ZINC000422976699 534789273 /nfs/dbraw/zinc/78/92/73/534789273.db2.gz ISKANDGCBCARKF-OAHLLOKOSA-N 2 0 302.397 2.008 20 30 DEEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCC[C@H](C)C1 ZINC000262785770 526349272 /nfs/dbraw/zinc/34/92/72/526349272.db2.gz MJXFJIUZUKJNKP-HNNXBMFYSA-N 2 0 324.513 2.183 20 30 DEEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCCC1 ZINC000262173066 526351077 /nfs/dbraw/zinc/35/10/77/526351077.db2.gz VJGMSRBSSJMKQH-UHFFFAOYSA-N 2 0 310.511 2.019 20 30 DEEDRP CC1CC[NH+](Cc2ccc(CNC3=[NH+]CCN3C)cc2)CC1 ZINC000262628736 528254964 /nfs/dbraw/zinc/25/49/64/528254964.db2.gz FCTDHBSQOUDLPS-UHFFFAOYSA-N 2 0 300.450 2.310 20 30 DEEDRP CCOC(=O)C1([C@H](C)[NH2+]CC2CCC(C#N)CC2)CC[NH2+]CC1 ZINC000423097170 528611338 /nfs/dbraw/zinc/61/13/38/528611338.db2.gz JCDIUKABCJYPLJ-FHERZECASA-N 2 0 321.465 2.227 20 30 DEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000267448660 528997116 /nfs/dbraw/zinc/99/71/16/528997116.db2.gz QTONVUZGVRKGQO-CQSZACIVSA-N 2 0 320.437 2.305 20 30 DEEDRP Cn1cc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)cc1C#N ZINC000359708591 536011547 /nfs/dbraw/zinc/01/15/47/536011547.db2.gz VSOLIZRCZKWRHO-UHFFFAOYSA-N 2 0 300.381 2.387 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327982419 1148691816 /nfs/dbraw/zinc/69/18/16/1148691816.db2.gz QIYWLTVCRQRJSN-INIZCTEOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001380275857 1152779997 /nfs/dbraw/zinc/77/99/97/1152779997.db2.gz XAEKVSSEQJMUDD-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696939 625392883 /nfs/dbraw/zinc/39/28/83/625392883.db2.gz YZJDZMUUZUVCHC-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023762226 625428037 /nfs/dbraw/zinc/42/80/37/625428037.db2.gz UQWOFJDKJKQSNF-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459486 625453219 /nfs/dbraw/zinc/45/32/19/625453219.db2.gz OKHPGJCAMPFEPY-GJZGRUSLSA-N 2 0 324.428 2.417 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001026577397 625536996 /nfs/dbraw/zinc/53/69/96/625536996.db2.gz HJYQPINGWIUZAH-UHFFFAOYSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970316459 623395645 /nfs/dbraw/zinc/39/56/45/623395645.db2.gz DCLIUJFIXVFPJE-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970788910 623682747 /nfs/dbraw/zinc/68/27/47/623682747.db2.gz RANBCKULLJYJEJ-MRXNPFEDSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971827144 624618959 /nfs/dbraw/zinc/61/89/59/624618959.db2.gz CKIHEXKFFDWVGU-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845748 624642848 /nfs/dbraw/zinc/64/28/48/624642848.db2.gz ZYFMWBSCPUEUJE-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998889604 634437724 /nfs/dbraw/zinc/43/77/24/634437724.db2.gz WSNPZKBTWVFRJK-KLAILNCOSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007495109 625269521 /nfs/dbraw/zinc/26/95/21/625269521.db2.gz IMHMQWQPSBUWTL-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024446379 625769526 /nfs/dbraw/zinc/76/95/26/625769526.db2.gz CFNUBMAAIUVZCB-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000020104 634729205 /nfs/dbraw/zinc/72/92/05/634729205.db2.gz KGELWFZQZIUQRR-KKUMJFAQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000996715928 633366878 /nfs/dbraw/zinc/36/68/78/633366878.db2.gz GWDAWWMEVIDLQW-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001009633075 633766364 /nfs/dbraw/zinc/76/63/64/633766364.db2.gz GGJUAMLBMDBBPG-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997658523 633915203 /nfs/dbraw/zinc/91/52/03/633915203.db2.gz BAFQKQJAGGZBDB-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977656461 634083591 /nfs/dbraw/zinc/08/35/91/634083591.db2.gz QLJXCGJMBMHYDD-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977656475 634084282 /nfs/dbraw/zinc/08/42/82/634084282.db2.gz QLJXCGJMBMHYDD-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998102322 634141497 /nfs/dbraw/zinc/14/14/97/634141497.db2.gz LYXBMSVXZYGLRK-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175341 634161165 /nfs/dbraw/zinc/16/11/65/634161165.db2.gz BSBRWVRKFHWNPF-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CC)CC2)CC1 ZINC000998194242 634166030 /nfs/dbraw/zinc/16/60/30/634166030.db2.gz CQPMOXIHTPKCEO-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168304 634872632 /nfs/dbraw/zinc/87/26/32/634872632.db2.gz MNDVUCAHEOCUEV-YESZJQIVSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168301 634872878 /nfs/dbraw/zinc/87/28/78/634872878.db2.gz MNDVUCAHEOCUEV-GVDBMIGSSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027920364 634967148 /nfs/dbraw/zinc/96/71/48/634967148.db2.gz HYGWZTIPVJUREH-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027930366 634997022 /nfs/dbraw/zinc/99/70/22/634997022.db2.gz OIGNPCJWFOXLNW-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027963709 635096899 /nfs/dbraw/zinc/09/68/99/635096899.db2.gz CZFHCXSZCOCWMM-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001000593521 635234815 /nfs/dbraw/zinc/23/48/15/635234815.db2.gz NZGFQTAUNNLYIK-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165102 635344585 /nfs/dbraw/zinc/34/45/85/635344585.db2.gz QIUQQJQJIUHYRL-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001370160 635480086 /nfs/dbraw/zinc/48/00/86/635480086.db2.gz HLRDZZXZFNDAOK-IRXDYDNUSA-N 2 0 305.466 2.041 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235116 635936667 /nfs/dbraw/zinc/93/66/67/635936667.db2.gz QLEJXBCYMDVJRU-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296118 635953548 /nfs/dbraw/zinc/95/35/48/635953548.db2.gz JXSWVWFAXYFHCP-QRQLOZEOSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982308449 635961582 /nfs/dbraw/zinc/96/15/82/635961582.db2.gz ZGEPZSFPGLZZDA-YTQUADARSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003631805 636008026 /nfs/dbraw/zinc/00/80/26/636008026.db2.gz VKILRONXFDDMTK-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028331749 636132894 /nfs/dbraw/zinc/13/28/94/636132894.db2.gz KJYMXHVTAOMMBS-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000922389642 636142495 /nfs/dbraw/zinc/14/24/95/636142495.db2.gz VHSGNCRGIACEQZ-NCXUSEDFSA-N 2 0 313.445 2.128 20 30 DEEDRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000922386579 636151812 /nfs/dbraw/zinc/15/18/12/636151812.db2.gz GKIXFEJXKFYEBU-QBPKDAKJSA-N 2 0 319.474 2.189 20 30 DEEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982560118 636265301 /nfs/dbraw/zinc/26/53/01/636265301.db2.gz DFPZSTZJUCKQKF-RYQLBKOJSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028571362 636342879 /nfs/dbraw/zinc/34/28/79/636342879.db2.gz AWCYKCBTDSCYAE-CQSZACIVSA-N 2 0 321.490 2.438 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573061 636349463 /nfs/dbraw/zinc/34/94/63/636349463.db2.gz IHMADUFTYMMTND-AWEZNQCLSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028646977 636543908 /nfs/dbraw/zinc/54/39/08/636543908.db2.gz CAEJBVAZNUUYQJ-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001005388714 636729263 /nfs/dbraw/zinc/72/92/63/636729263.db2.gz AXDWKZOUZLDJAB-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870148 636802072 /nfs/dbraw/zinc/80/20/72/636802072.db2.gz LNIIFWBVOAEMND-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001005661330 636806186 /nfs/dbraw/zinc/80/61/86/636806186.db2.gz QUVFTILRUMXWRE-UHFFFAOYSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948716719 636886325 /nfs/dbraw/zinc/88/63/25/636886325.db2.gz DPXJYCKBTPGLKJ-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](O)CN(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923335808 637122192 /nfs/dbraw/zinc/12/21/92/637122192.db2.gz DULFZHDOMJNLLX-HUUCEWRRSA-N 2 0 309.479 2.190 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006292819 637332059 /nfs/dbraw/zinc/33/20/59/637332059.db2.gz UTMOACSGYDZWJI-AEFFLSMTSA-N 2 0 319.493 2.053 20 30 DEEDRP CCOCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303868099 639446726 /nfs/dbraw/zinc/44/67/26/639446726.db2.gz AHZMWVNZPYPGFQ-INIZCTEOSA-N 2 0 312.502 2.074 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000985695472 639587932 /nfs/dbraw/zinc/58/79/32/639587932.db2.gz WBAABVYRKLATBD-DLBZAZTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000986566031 639935321 /nfs/dbraw/zinc/93/53/21/639935321.db2.gz KZYDMKXQXFOFMR-IUODEOHRSA-N 2 0 318.808 2.279 20 30 DEEDRP C#CCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000769384679 641230994 /nfs/dbraw/zinc/23/09/94/641230994.db2.gz STZBTXHKNPGTAV-UHFFFAOYSA-N 2 0 316.445 2.241 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000990634114 641564099 /nfs/dbraw/zinc/56/40/99/641564099.db2.gz BGYNZYNERVFXPW-LZLYRXPVSA-N 2 0 305.466 2.158 20 30 DEEDRP N#Cc1ccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc1 ZINC000903229491 643299405 /nfs/dbraw/zinc/29/94/05/643299405.db2.gz ZQDOVYFXEHXCCM-ZXFUBFMLSA-N 2 0 311.433 2.113 20 30 DEEDRP C=CCN1CCC([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905095031 643798647 /nfs/dbraw/zinc/79/86/47/643798647.db2.gz HIXFENZVQDSUPL-OALUTQOASA-N 2 0 318.461 2.101 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000907449580 644557487 /nfs/dbraw/zinc/55/74/87/644557487.db2.gz XNKZFIHZSOATGM-RDJZCZTQSA-N 2 0 303.450 2.302 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000913100095 646268786 /nfs/dbraw/zinc/26/87/86/646268786.db2.gz PMWUPVBDOGKSSI-CRAIPNDOSA-N 2 0 315.461 2.131 20 30 DEEDRP CC(C)OCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000812238652 646621086 /nfs/dbraw/zinc/62/10/86/646621086.db2.gz CACNDOKSEJKYDG-UHFFFAOYSA-N 2 0 305.422 2.214 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992141093 646870743 /nfs/dbraw/zinc/87/07/43/646870743.db2.gz GNSVATOETWUAEL-AEFFLSMTSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169355 646882383 /nfs/dbraw/zinc/88/23/83/646882383.db2.gz QPADAFCNQRKGKE-MAUKXSAKSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992284828 646929889 /nfs/dbraw/zinc/92/98/89/646929889.db2.gz LZEFNMBTGBFOFA-PKOBYXMFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992403072 646972037 /nfs/dbraw/zinc/97/20/37/646972037.db2.gz ADUAJUNDZBXECL-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818985844 647557934 /nfs/dbraw/zinc/55/79/34/647557934.db2.gz XZQZRUYBZMYWNY-AEFFLSMTSA-N 2 0 301.434 2.302 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993534462 647692194 /nfs/dbraw/zinc/69/21/94/647692194.db2.gz YJANBJPHBWLIEM-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)[C@@H](C)C2)CC1 ZINC000948069525 648327242 /nfs/dbraw/zinc/32/72/42/648327242.db2.gz IGUWHHNCPUSZIU-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940738041 648935232 /nfs/dbraw/zinc/93/52/32/648935232.db2.gz VFTCBVLAHYKXER-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867911 648958503 /nfs/dbraw/zinc/95/85/03/648958503.db2.gz NOUVEQTXISUJKR-QGZVFWFLSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940994487 648980153 /nfs/dbraw/zinc/98/01/53/648980153.db2.gz WCZKEJZURUPMDF-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372327 649097050 /nfs/dbraw/zinc/09/70/50/649097050.db2.gz CEGDYHAYAFZRPT-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203905 649183253 /nfs/dbraw/zinc/18/32/53/649183253.db2.gz LIYNYXLTKJWPOA-CXAGYDPISA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256100 649191872 /nfs/dbraw/zinc/19/18/72/649191872.db2.gz CVTBQBBVEPOSEU-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435986 649207516 /nfs/dbraw/zinc/20/75/16/649207516.db2.gz QREILWNQWLNECG-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555229 649245856 /nfs/dbraw/zinc/24/58/56/649245856.db2.gz GRZBPQHMOKXSHU-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047664 649475454 /nfs/dbraw/zinc/47/54/54/649475454.db2.gz UYPURBAWDIFDQS-YJBOKZPZSA-N 2 0 319.493 2.121 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000108428856 651630962 /nfs/dbraw/zinc/63/09/62/651630962.db2.gz CKQGVIBCIRDIGD-QGZVFWFLSA-N 2 0 300.450 2.468 20 30 DEEDRP C#CC[C@H](COC)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000858333785 652309395 /nfs/dbraw/zinc/30/93/95/652309395.db2.gz BBCBIRXJJLLRMZ-QGZVFWFLSA-N 2 0 315.461 2.349 20 30 DEEDRP CC[N@H+](CCCNC(=O)C#CC1CC[NH2+]CC1)C1CCCCC1 ZINC000852895550 652477038 /nfs/dbraw/zinc/47/70/38/652477038.db2.gz DIYUFOPIJDXUIF-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001393970312 1158111865 /nfs/dbraw/zinc/11/18/65/1158111865.db2.gz CDMNZRDNQRUBAH-QWHCGFSZSA-N 2 0 303.878 2.200 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001393970318 1158111940 /nfs/dbraw/zinc/11/19/40/1158111940.db2.gz CDMNZRDNQRUBAH-STQMWFEESA-N 2 0 303.878 2.200 20 30 DEEDRP CCOCCCNC(=[NH2+])NCC1CC[NH+](CCC(C)C)CC1 ZINC000304769949 685260687 /nfs/dbraw/zinc/26/06/87/685260687.db2.gz AXCIDGOZXPSSSE-UHFFFAOYSA-N 2 0 312.502 2.075 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCSCC(C)C ZINC000305286472 685286880 /nfs/dbraw/zinc/28/68/80/685286880.db2.gz FDVXWRYYCRICIZ-AWEZNQCLSA-N 2 0 300.516 2.154 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054197938 693878794 /nfs/dbraw/zinc/87/87/94/693878794.db2.gz LZXYETNYJREAPQ-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP CCOCCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303770343 685233476 /nfs/dbraw/zinc/23/34/76/685233476.db2.gz BWLQPJQMDKZKBW-MRXNPFEDSA-N 2 0 312.502 2.218 20 30 DEEDRP CCC(CC)[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+](C)C ZINC000303787178 685235416 /nfs/dbraw/zinc/23/54/16/685235416.db2.gz SEUXISRSDRRQJV-QGZVFWFLSA-N 2 0 304.482 2.500 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(Cl)c1 ZINC000303891934 685238461 /nfs/dbraw/zinc/23/84/61/685238461.db2.gz RAWNOPLQZHDZBK-CQSZACIVSA-N 2 0 324.856 2.107 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000303899348 685238906 /nfs/dbraw/zinc/23/89/06/685238906.db2.gz ROVWLLUYKWFFLT-QGZVFWFLSA-N 2 0 300.450 2.304 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796655 687425543 /nfs/dbraw/zinc/42/55/43/687425543.db2.gz ZGCDGJGOBLLKTD-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016329687 687593189 /nfs/dbraw/zinc/59/31/89/687593189.db2.gz MGYAAWSKWMHTKM-MRXNPFEDSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016651655 687674988 /nfs/dbraw/zinc/67/49/88/687674988.db2.gz JRRLNSQDVDUKSP-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016790860 687703602 /nfs/dbraw/zinc/70/36/02/687703602.db2.gz QOTFFFXPGKWCBP-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016830542 687713043 /nfs/dbraw/zinc/71/30/43/687713043.db2.gz SCNNKNKXECMQNS-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018310867 688107449 /nfs/dbraw/zinc/10/74/49/688107449.db2.gz SHOVEPLMQLIIQC-KSZLIROESA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001019070870 688280304 /nfs/dbraw/zinc/28/03/04/688280304.db2.gz JQTLIUJNSDVLOI-ZDUSSCGKSA-N 2 0 318.808 2.199 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000930663259 694213150 /nfs/dbraw/zinc/21/31/50/694213150.db2.gz HTWULGVHKBOZDW-UHFFFAOYSA-N 2 0 306.498 2.322 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230370 689432748 /nfs/dbraw/zinc/43/27/48/689432748.db2.gz MXQTVLHFJXJHKG-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033575370 689548563 /nfs/dbraw/zinc/54/85/63/689548563.db2.gz RBMIFJRGPUTABK-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687168 689584805 /nfs/dbraw/zinc/58/48/05/689584805.db2.gz ZEZJWJIBUGDWSS-INIZCTEOSA-N 2 0 301.434 2.081 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033991209 689685465 /nfs/dbraw/zinc/68/54/65/689685465.db2.gz GNEBITKBTLEEAQ-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034367190 689825006 /nfs/dbraw/zinc/82/50/06/689825006.db2.gz FJBBVANKOFMBOI-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034538511 689890662 /nfs/dbraw/zinc/89/06/62/689890662.db2.gz NZMCNYVMJVUGMW-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C(C)C ZINC000876726143 689917542 /nfs/dbraw/zinc/91/75/42/689917542.db2.gz BJLGGWLSHAFYKC-LMMKCTJWSA-N 2 0 319.493 2.333 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000876762565 689929196 /nfs/dbraw/zinc/92/91/96/689929196.db2.gz CJTZWSOWWFLDIU-CQSZACIVSA-N 2 0 301.862 2.229 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876776059 689934113 /nfs/dbraw/zinc/93/41/13/689934113.db2.gz DRYBXPBHDGMTQK-BMFZPTHFSA-N 2 0 321.852 2.236 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000876877079 689961435 /nfs/dbraw/zinc/96/14/35/689961435.db2.gz NCBCHXWXJCCBPF-KBXIAJHMSA-N 2 0 313.873 2.320 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035184943 690053502 /nfs/dbraw/zinc/05/35/02/690053502.db2.gz IBKKVZBMJWACRH-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035216725 690063531 /nfs/dbraw/zinc/06/35/31/690063531.db2.gz FCIGPGRYORBGBU-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035719566 690159972 /nfs/dbraw/zinc/15/99/72/690159972.db2.gz BYWVSWBUYKGZPZ-KRWDZBQOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035724855 690161562 /nfs/dbraw/zinc/16/15/62/690161562.db2.gz AXTUECMXRCQYIO-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035772671 690172583 /nfs/dbraw/zinc/17/25/83/690172583.db2.gz IHZWQEYEGFBLMQ-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035833995 690188534 /nfs/dbraw/zinc/18/85/34/690188534.db2.gz FHGFCUOTDUHNMK-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773548 690469510 /nfs/dbraw/zinc/46/95/10/690469510.db2.gz PHSFXJWLODCWDS-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036832480 690492036 /nfs/dbraw/zinc/49/20/36/690492036.db2.gz CFXXDJUAVGOJIW-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001037848240 690622206 /nfs/dbraw/zinc/62/22/06/690622206.db2.gz BMRPHFWKOBZPIC-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039136730 691030960 /nfs/dbraw/zinc/03/09/60/691030960.db2.gz OHJFSZMROBODFH-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163331 691036519 /nfs/dbraw/zinc/03/65/19/691036519.db2.gz AKIUPDXFIUAVFH-FUHWJXTLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380417 691239132 /nfs/dbraw/zinc/23/91/32/691239132.db2.gz QVVVNNDOENQHAS-SJLPKXTDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040730452 691282823 /nfs/dbraw/zinc/28/28/23/691282823.db2.gz UUFZYNQAFPUYHU-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001040853800 691293427 /nfs/dbraw/zinc/29/34/27/691293427.db2.gz XXNRRWOSXCOHAA-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040936978 691299805 /nfs/dbraw/zinc/29/98/05/691299805.db2.gz RZQVTMCIVRIZEY-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440972 691375742 /nfs/dbraw/zinc/37/57/42/691375742.db2.gz SAYIEGIASUTPTG-GOSISDBHSA-N 2 0 317.477 2.115 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536132 691389369 /nfs/dbraw/zinc/38/93/69/691389369.db2.gz MOMOKHFZKWKEME-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041725524 691417945 /nfs/dbraw/zinc/41/79/45/691417945.db2.gz OGPXXMPKCYKUKY-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001042095919 691507801 /nfs/dbraw/zinc/50/78/01/691507801.db2.gz RPDCRLDVUGKEIS-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132802 691516925 /nfs/dbraw/zinc/51/69/25/691516925.db2.gz FSBNTFCVHGZIKT-PBHICJAKSA-N 2 0 310.401 2.057 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042254196 691549671 /nfs/dbraw/zinc/54/96/71/691549671.db2.gz IXEXKPDMRKXDOL-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042369416 691583900 /nfs/dbraw/zinc/58/39/00/691583900.db2.gz XTXSTBWXEPANFS-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001043603634 691724320 /nfs/dbraw/zinc/72/43/20/691724320.db2.gz NNNIKLRWZIEQQZ-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438391 691981355 /nfs/dbraw/zinc/98/13/55/691981355.db2.gz RZLNRNCMENOHBP-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531102 691993486 /nfs/dbraw/zinc/99/34/86/691993486.db2.gz DJTMTUNHOZWXER-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924627208 693161707 /nfs/dbraw/zinc/16/17/07/693161707.db2.gz OBIMYFKJGNDLTI-OAHLLOKOSA-N 2 0 315.465 2.251 20 30 DEEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000925703314 693327566 /nfs/dbraw/zinc/32/75/66/693327566.db2.gz SVKRWJGDGXRMHP-KXBFYZLASA-N 2 0 312.461 2.253 20 30 DEEDRP 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 693523274 /nfs/dbraw/zinc/52/32/74/693523274.db2.gz FDJHCPBGYOQAAD-HBPKQKSZSA-N 2 0 307.482 2.384 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857083 693634602 /nfs/dbraw/zinc/63/46/02/693634602.db2.gz HRMADLXDIWUTPT-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC)CC2)CC1 ZINC001052954312 693656267 /nfs/dbraw/zinc/65/62/67/693656267.db2.gz MUEWSBXSKIZAIC-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001402286633 1162315462 /nfs/dbraw/zinc/31/54/62/1162315462.db2.gz CWVWQOTYXAEVTK-CABCVRRESA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001402322001 1162324734 /nfs/dbraw/zinc/32/47/34/1162324734.db2.gz WBDXMZVPWOKSQM-GJZGRUSLSA-N 2 0 313.873 2.096 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001332321208 1149849089 /nfs/dbraw/zinc/84/90/89/1149849089.db2.gz HXYNNWFJGXDXNL-SJLPKXTDSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001480272669 1151736848 /nfs/dbraw/zinc/73/68/48/1151736848.db2.gz XMOOKJYFRCWMHJ-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2NCC#Cc2ccccc2)CC1 ZINC001355275969 1151997886 /nfs/dbraw/zinc/99/78/86/1151997886.db2.gz YTZXAGQZEYKFKS-UHFFFAOYSA-N 2 0 306.413 2.297 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC001357428313 1152297626 /nfs/dbraw/zinc/29/76/26/1152297626.db2.gz LSBAZCHHCDFJIR-CABCVRRESA-N 2 0 317.433 2.026 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001380096054 1152749610 /nfs/dbraw/zinc/74/96/10/1152749610.db2.gz ORVRBOHGNWWFAD-ZDUSSCGKSA-N 2 0 303.878 2.200 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001381112908 1152913505 /nfs/dbraw/zinc/91/35/05/1152913505.db2.gz RVQLSYVJAWWOOJ-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001391818722 1156809615 /nfs/dbraw/zinc/80/96/15/1156809615.db2.gz GOHLWNSHGFOWSJ-KKUMJFAQSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001393035834 1157623538 /nfs/dbraw/zinc/62/35/38/1157623538.db2.gz KSIZTJHIXSHWEQ-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001375585001 1158821002 /nfs/dbraw/zinc/82/10/02/1158821002.db2.gz LJRRTYKUNTYMMZ-CABCVRRESA-N 2 0 313.873 2.144 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001377911089 1160869023 /nfs/dbraw/zinc/86/90/23/1160869023.db2.gz ASHGFEZIHFNFMF-YMAMQOFZSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001405370359 1164065523 /nfs/dbraw/zinc/06/55/23/1164065523.db2.gz NIZDKVVPDYQLTH-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001406720106 1164807557 /nfs/dbraw/zinc/80/75/57/1164807557.db2.gz SRGIBBCSBCURAB-GJZGRUSLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001420087189 1169152850 /nfs/dbraw/zinc/15/28/50/1169152850.db2.gz MILIVWVNDDPYRM-ZFWWWQNUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001423013480 1173015652 /nfs/dbraw/zinc/01/56/52/1173015652.db2.gz ZEMLXFYFOOGZQY-GJZGRUSLSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001426161878 1174623671 /nfs/dbraw/zinc/62/36/71/1174623671.db2.gz JMTACQCAQIZICE-ZDUSSCGKSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001436669383 1179177327 /nfs/dbraw/zinc/17/73/27/1179177327.db2.gz OIEKNEXXEIGOKT-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001437160156 1179500782 /nfs/dbraw/zinc/50/07/82/1179500782.db2.gz AVBIVZIRMBUYPN-ZDUSSCGKSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001438451624 1180445057 /nfs/dbraw/zinc/44/50/57/1180445057.db2.gz ZCCQNQGTURLKCO-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001439212935 1180942730 /nfs/dbraw/zinc/94/27/30/1180942730.db2.gz FDSBHLIHOGDFDO-DZGCQCFKSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001441212626 1181896525 /nfs/dbraw/zinc/89/65/25/1181896525.db2.gz UEHBSBBSULVLAD-LSDHHAIUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001444310972 1183341493 /nfs/dbraw/zinc/34/14/93/1183341493.db2.gz QOYJWGPODHVPKG-ZDUSSCGKSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001444817087 1183567816 /nfs/dbraw/zinc/56/78/16/1183567816.db2.gz MIVHFYMMHBUDQF-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001445471239 1183881570 /nfs/dbraw/zinc/88/15/70/1183881570.db2.gz URWZANDJMUSDBC-SFHVURJKSA-N 2 0 315.461 2.227 20 30 DEEDRP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001333151961 1150008093 /nfs/dbraw/zinc/00/80/93/1150008093.db2.gz BWBUDGXHQGNKDA-ABHNRTSZSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106250245 782570895 /nfs/dbraw/zinc/57/08/95/782570895.db2.gz ZKJUPDIEJVKNKM-JFIYKMOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089420150 783086578 /nfs/dbraw/zinc/08/65/78/783086578.db2.gz KFUVJRYIZVKXRJ-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947473859 783146122 /nfs/dbraw/zinc/14/61/22/783146122.db2.gz OUPFYFIKJWCXBW-ZBFHGGJFSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559683 783206838 /nfs/dbraw/zinc/20/68/38/783206838.db2.gz RAWXBVCVSZWLFK-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947727191 783215510 /nfs/dbraw/zinc/21/55/10/783215510.db2.gz WEEWWWMPJPHDDZ-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125971 790472503 /nfs/dbraw/zinc/47/25/03/790472503.db2.gz QTLUXXRHDUNMEK-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385589 776980055 /nfs/dbraw/zinc/98/00/55/776980055.db2.gz JWEQFDDTECWZJG-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385441 777227617 /nfs/dbraw/zinc/22/76/17/777227617.db2.gz WCMGBVWBBCAYJW-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595632 777956898 /nfs/dbraw/zinc/95/68/98/777956898.db2.gz WJMHLJLFQUXDMU-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104938570 778266401 /nfs/dbraw/zinc/26/64/01/778266401.db2.gz VRUTVYKRNYECJZ-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001088334175 779984476 /nfs/dbraw/zinc/98/44/76/779984476.db2.gz BZEKVJBGEAKFAT-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088373407 780029636 /nfs/dbraw/zinc/02/96/36/780029636.db2.gz CDZVUALQPKFBMP-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075881176 780274877 /nfs/dbraw/zinc/27/48/77/780274877.db2.gz HHTYFBMPWYMQFN-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001101026737 780921048 /nfs/dbraw/zinc/92/10/48/780921048.db2.gz XAYWFTYSIJVNDZ-UHFFFAOYSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cncc2C)CC1 ZINC000948621675 783533445 /nfs/dbraw/zinc/53/34/45/783533445.db2.gz UPMORHIDQPESNN-MRXNPFEDSA-N 2 0 304.438 2.081 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905027 783811033 /nfs/dbraw/zinc/81/10/33/783811033.db2.gz WVCBGJRCVAHHBP-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086159205 784448728 /nfs/dbraw/zinc/44/87/28/784448728.db2.gz MVSPXYZPDACQBU-WOVMCDHWSA-N 2 0 315.461 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253450 784524708 /nfs/dbraw/zinc/52/47/08/784524708.db2.gz HKTMOXCGYFHPIQ-WCXIOVBPSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914584 784646876 /nfs/dbraw/zinc/64/68/76/784646876.db2.gz XLMDQZABSHAEGN-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001091234614 791057272 /nfs/dbraw/zinc/05/72/72/791057272.db2.gz HXPIOAXSNHNZFK-UHFFFAOYSA-N 2 0 315.461 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007327445 784889952 /nfs/dbraw/zinc/88/99/52/784889952.db2.gz NUUBVDDCMOMPRV-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP CCN(CC)C(=O)C[C@@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001169455510 785191670 /nfs/dbraw/zinc/19/16/70/785191670.db2.gz AISVXMCZDKFBAQ-CQSZACIVSA-N 2 0 318.465 2.300 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171246871 791119929 /nfs/dbraw/zinc/11/99/29/791119929.db2.gz HOEFDSGBVKKBST-FUHWJXTLSA-N 2 0 319.493 2.291 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001112860951 786262440 /nfs/dbraw/zinc/26/24/40/786262440.db2.gz HGTIOUDVEWUTRJ-SFHVURJKSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001113008495 786358279 /nfs/dbraw/zinc/35/82/79/786358279.db2.gz RUZLVYOIOIKPGH-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001113183228 786432764 /nfs/dbraw/zinc/43/27/64/786432764.db2.gz JYXQKYXFXFZQRB-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP 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 787626986 /nfs/dbraw/zinc/62/69/86/787626986.db2.gz QJYZXWGBQPKARF-YVSFHVDLSA-N 2 0 305.466 2.016 20 30 DEEDRP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207820 787965720 /nfs/dbraw/zinc/96/57/20/787965720.db2.gz XJTRXHFJYLETTO-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CCCn2ccnc2C)CC[C@H]1C ZINC001132354735 788035233 /nfs/dbraw/zinc/03/52/33/788035233.db2.gz OYLSLXRKADYAFH-GDBMZVCRSA-N 2 0 304.438 2.127 20 30 DEEDRP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132366299 788041451 /nfs/dbraw/zinc/04/14/51/788041451.db2.gz ZWJCLYABMSFDJH-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP 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 788195392 /nfs/dbraw/zinc/19/53/92/788195392.db2.gz GDJQGUVDJANGGR-SIRPWMCASA-N 2 0 305.466 2.014 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132894061 788221022 /nfs/dbraw/zinc/22/10/22/788221022.db2.gz WMXXPJJOOZXYMT-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858394 789116901 /nfs/dbraw/zinc/11/69/01/789116901.db2.gz SAQVTHWLAZAJOK-UONOGXRCSA-N 2 0 313.873 2.240 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101349 789199686 /nfs/dbraw/zinc/19/96/86/789199686.db2.gz LHAZZRMFXMVAQA-IAGOWNOFSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086788513 789506133 /nfs/dbraw/zinc/50/61/33/789506133.db2.gz RCZIJYAGWORTMS-DZGCQCFKSA-N 2 0 305.422 2.015 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919350 789972017 /nfs/dbraw/zinc/97/20/17/789972017.db2.gz AINUJZNXBJTWFM-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397765 791278109 /nfs/dbraw/zinc/27/81/09/791278109.db2.gz IWOMPDRRXBOZNN-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146584694 791309374 /nfs/dbraw/zinc/30/93/74/791309374.db2.gz UMHKARHWOLRVOH-HZPDHXFCSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926587 791853777 /nfs/dbraw/zinc/85/37/77/791853777.db2.gz CQCGKXGHKIMNJF-MRXNPFEDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092757411 792123984 /nfs/dbraw/zinc/12/39/84/792123984.db2.gz ZTMJRRRBYJDXFS-UKRRQHHQSA-N 2 0 312.417 2.126 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099239779 792148365 /nfs/dbraw/zinc/14/83/65/792148365.db2.gz JXMNEJHLYGQNNL-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP 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 792233174 /nfs/dbraw/zinc/23/31/74/792233174.db2.gz KVKZYJXCBOGAMG-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100534905 792709586 /nfs/dbraw/zinc/70/95/86/792709586.db2.gz FWCMVSUFTSAWEF-VMWRSERWSA-N 2 0 319.493 2.311 20 30 DEEDRP 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 792993991 /nfs/dbraw/zinc/99/39/91/792993991.db2.gz BNOOANLEDRSCDE-YVSFHVDLSA-N 2 0 307.482 2.403 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001101550735 793226355 /nfs/dbraw/zinc/22/63/55/793226355.db2.gz XDBYNLODLSSDTM-QGZVFWFLSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001101583482 793246442 /nfs/dbraw/zinc/24/64/42/793246442.db2.gz ZYOZUDMFCUBBGP-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172291786 793406071 /nfs/dbraw/zinc/40/60/71/793406071.db2.gz ACHXUJMITXUERW-INIZCTEOSA-N 2 0 314.477 2.105 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001094950641 793499669 /nfs/dbraw/zinc/49/96/69/793499669.db2.gz MNOOKJOBZVTCKP-UXLLHSPISA-N 2 0 324.428 2.411 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213447 793531685 /nfs/dbraw/zinc/53/16/85/793531685.db2.gz GNLQXOOFRPSOGJ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366894 793587604 /nfs/dbraw/zinc/58/76/04/793587604.db2.gz UDQVAJBKWPVQHL-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001095026045 793592255 /nfs/dbraw/zinc/59/22/55/793592255.db2.gz XADGZQXOLPINQJ-KSZLIROESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111772 793944910 /nfs/dbraw/zinc/94/49/10/793944910.db2.gz NVWXETJRFUAGKL-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCOc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC001177299642 794625002 /nfs/dbraw/zinc/62/50/02/794625002.db2.gz XULHGISBKWBSMF-UHFFFAOYSA-N 2 0 304.434 2.453 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001112425246 794631449 /nfs/dbraw/zinc/63/14/49/794631449.db2.gz DBTFPQSTTNPREJ-JZXOWHBKSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115343406 794740534 /nfs/dbraw/zinc/74/05/34/794740534.db2.gz IDMTVNHBMITQEO-DZFIZOCASA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450796 794777375 /nfs/dbraw/zinc/77/73/75/794777375.db2.gz OTJOEVGDXYVUTG-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582293 794829136 /nfs/dbraw/zinc/82/91/36/794829136.db2.gz UNXFNDZUJHTBFD-INIZCTEOSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692582 794881795 /nfs/dbraw/zinc/88/17/95/794881795.db2.gz WSJLTVDHOPFAGG-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001179357820 795098425 /nfs/dbraw/zinc/09/84/25/795098425.db2.gz LXLYVAGXUGFVBA-SFHVURJKSA-N 2 0 321.509 2.398 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179431391 795113608 /nfs/dbraw/zinc/11/36/08/795113608.db2.gz YAKBQXYSVIYGEP-PMPSAXMXSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461508 795118363 /nfs/dbraw/zinc/11/83/63/795118363.db2.gz NQUMGLCNNLQVCH-UHFFFAOYSA-N 2 0 315.889 2.347 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)[C@H]1C ZINC001179516477 795125079 /nfs/dbraw/zinc/12/50/79/795125079.db2.gz CEWJFHHJKGQMOZ-KKUMJFAQSA-N 2 0 316.449 2.375 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179592782 795139568 /nfs/dbraw/zinc/13/95/68/795139568.db2.gz OAWFMFHJBWKHEM-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC(C)C)CC1 ZINC001180360630 795281884 /nfs/dbraw/zinc/28/18/84/795281884.db2.gz KVBKASCCTSTUBP-UHFFFAOYSA-N 2 0 321.509 2.254 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120021745 795392900 /nfs/dbraw/zinc/39/29/00/795392900.db2.gz RZZQFYHDXJBYKK-UHFFFAOYSA-N 2 0 319.493 2.457 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899490 795393534 /nfs/dbraw/zinc/39/35/34/795393534.db2.gz NBXLUIAFBIQFCX-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120032823 795394612 /nfs/dbraw/zinc/39/46/12/795394612.db2.gz ORDIFFJMEYAANI-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189399 795419894 /nfs/dbraw/zinc/41/98/94/795419894.db2.gz IYKWGIJZGVGDIH-IYBDPMFKSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294749 795612488 /nfs/dbraw/zinc/61/24/88/795612488.db2.gz GQNZFJDYKHEHER-RFSHTEQGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121302287 795614481 /nfs/dbraw/zinc/61/44/81/795614481.db2.gz VYQDPOWPXMJCAT-LMBQMVEXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001121508601 795640921 /nfs/dbraw/zinc/64/09/21/795640921.db2.gz QBWFIGUDPVHXLE-UHFFFAOYSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121709238 795677960 /nfs/dbraw/zinc/67/79/60/795677960.db2.gz VXKJCZCPNMKKQK-LMBQMVEXSA-N 2 0 307.482 2.166 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182631767 795716089 /nfs/dbraw/zinc/71/60/89/795716089.db2.gz WLJULGQPNSQGNO-QZTJIDSGSA-N 2 0 321.509 2.489 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001182953987 795782444 /nfs/dbraw/zinc/78/24/44/795782444.db2.gz NHAXNFMUOQKXSI-CQSZACIVSA-N 2 0 307.463 2.190 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288308 795852189 /nfs/dbraw/zinc/85/21/89/795852189.db2.gz CGKNMISXSCPDNJ-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230144 796007528 /nfs/dbraw/zinc/00/75/28/796007528.db2.gz KKPRURJGSZYCEI-HOTGVXAUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184291631 796038118 /nfs/dbraw/zinc/03/81/18/796038118.db2.gz CFIVFYFZKSUXFZ-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184734879 796117868 /nfs/dbraw/zinc/11/78/68/796117868.db2.gz LWYCTGVLXYZAIV-DOTOQJQBSA-N 2 0 324.428 2.045 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184737086 796118258 /nfs/dbraw/zinc/11/82/58/796118258.db2.gz YFIFZMTUVIXSRS-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2cncn2C)C[C@@H]1C ZINC001185500959 796272852 /nfs/dbraw/zinc/27/28/52/796272852.db2.gz AAOBJSFFPWFUMQ-JKSUJKDBSA-N 2 0 318.465 2.003 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185535430 796286609 /nfs/dbraw/zinc/28/66/09/796286609.db2.gz DRTQTNIOZHVDFZ-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202872479 796293771 /nfs/dbraw/zinc/29/37/71/796293771.db2.gz GPUVIZBYMPJUNV-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203629834 796332251 /nfs/dbraw/zinc/33/22/51/796332251.db2.gz CQRXHVKROBGEOS-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203640462 796414921 /nfs/dbraw/zinc/41/49/21/796414921.db2.gz CDLQZJUTTHUEKI-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814453 797401987 /nfs/dbraw/zinc/40/19/87/797401987.db2.gz GOBNUHQNZSCOML-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819128 797403790 /nfs/dbraw/zinc/40/37/90/797403790.db2.gz OSYYRQJQXPYJQR-SJORKVTESA-N 2 0 307.482 2.099 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116755 797466564 /nfs/dbraw/zinc/46/65/64/797466564.db2.gz UYORLNKKYZQJLS-CQSZACIVSA-N 2 0 312.417 2.106 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455564 797538649 /nfs/dbraw/zinc/53/86/49/797538649.db2.gz UDMHGFAPHAGVBB-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425557 797566265 /nfs/dbraw/zinc/56/62/65/797566265.db2.gz YVBMMTBOOSAVGC-GOSISDBHSA-N 2 0 321.509 2.445 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612513 797805996 /nfs/dbraw/zinc/80/59/96/797805996.db2.gz XDKUMNPFSRLYBC-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157118585 798147073 /nfs/dbraw/zinc/14/70/73/798147073.db2.gz ISJDFSOIJHSLIZ-MSOLQXFVSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160156662 798655984 /nfs/dbraw/zinc/65/59/84/798655984.db2.gz WJZHLEZWADNUKR-GOSISDBHSA-N 2 0 317.477 2.043 20 30 DEEDRP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285901 798670679 /nfs/dbraw/zinc/67/06/79/798670679.db2.gz KRLLCWIGYLUFGO-SFHVURJKSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400539 798747487 /nfs/dbraw/zinc/74/74/87/798747487.db2.gz RCJYHXLLJGYYEC-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325188 798802725 /nfs/dbraw/zinc/80/27/25/798802725.db2.gz KKGZJOCQFKEEDQ-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161212854 798811831 /nfs/dbraw/zinc/81/18/31/798811831.db2.gz CEGXXKFHWXYNLZ-GOSISDBHSA-N 2 0 319.493 2.269 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161220184 798812577 /nfs/dbraw/zinc/81/25/77/798812577.db2.gz XZVNVNUPYBQQPM-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161446090 798860742 /nfs/dbraw/zinc/86/07/42/798860742.db2.gz WKGDKSMEPKWUNJ-ZWKOTPCHSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161723192 798922481 /nfs/dbraw/zinc/92/24/81/798922481.db2.gz MROXPWAXCUMVGD-UHFFFAOYSA-N 2 0 317.477 2.187 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161863440 798952360 /nfs/dbraw/zinc/95/23/60/798952360.db2.gz QFYBMOREVPVMLM-KRWDZBQOSA-N 2 0 305.466 2.043 20 30 DEEDRP COc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C#N)c1 ZINC001212781731 799200115 /nfs/dbraw/zinc/20/01/15/799200115.db2.gz HYEJLARSTZJCIK-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297003 799303201 /nfs/dbraw/zinc/30/32/01/799303201.db2.gz ANAUSRFIBWLUPI-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164508551 799612902 /nfs/dbraw/zinc/61/29/02/799612902.db2.gz CVSCQNBLWUIBNF-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472550 799736096 /nfs/dbraw/zinc/73/60/96/799736096.db2.gz MSDPAYRPUUZRTN-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165502177 799738087 /nfs/dbraw/zinc/73/80/87/799738087.db2.gz XCGVHHDVVIJPFE-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165809918 799777771 /nfs/dbraw/zinc/77/77/71/799777771.db2.gz TXLVEYQZHMOZKE-UHFFFAOYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524055 800069146 /nfs/dbraw/zinc/06/91/46/800069146.db2.gz SXQAHYJFKVOJPU-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540085 800074625 /nfs/dbraw/zinc/07/46/25/800074625.db2.gz TUYBDEHCPMIUGM-IAGOWNOFSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823884 800128594 /nfs/dbraw/zinc/12/85/94/800128594.db2.gz MXTASMMTWDEDBO-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCCC)CC2)CC1 ZINC001203887453 800140633 /nfs/dbraw/zinc/14/06/33/800140633.db2.gz BXKAABRJENOPBH-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547533 800552220 /nfs/dbraw/zinc/55/22/20/800552220.db2.gz HIQGHBLNDNKYRJ-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628922 800568278 /nfs/dbraw/zinc/56/82/78/800568278.db2.gz YWHJFROGMQOCCL-GOSISDBHSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281837 800721906 /nfs/dbraw/zinc/72/19/06/800721906.db2.gz HSQCCYUSLXCLDZ-WMZOPIPTSA-N 2 0 310.482 2.400 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001207483246 800765085 /nfs/dbraw/zinc/76/50/85/800765085.db2.gz VFQYPSQYXYZYPG-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207611843 800788973 /nfs/dbraw/zinc/78/89/73/800788973.db2.gz XVEYCUOSBUFEIT-BPLDGKMQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169349 800858193 /nfs/dbraw/zinc/85/81/93/800858193.db2.gz PEUWXLJDIJICPB-HZMVEIRTSA-N 2 0 307.482 2.404 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750178 801063532 /nfs/dbraw/zinc/06/35/32/801063532.db2.gz ZBZDJQQSOXJJNS-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001229731975 801310864 /nfs/dbraw/zinc/31/08/64/801310864.db2.gz NIFPOKFOKIOUHA-HZPDHXFCSA-N 2 0 316.449 2.354 20 30 DEEDRP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610461 801435526 /nfs/dbraw/zinc/43/55/26/801435526.db2.gz BNTNZCDEWAMWOY-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210633854 801436554 /nfs/dbraw/zinc/43/65/54/801436554.db2.gz IMXNOSSECWVFAL-GOSISDBHSA-N 2 0 321.509 2.493 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685133 801446156 /nfs/dbraw/zinc/44/61/56/801446156.db2.gz OGBFITMAZKPJBH-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350362 801551229 /nfs/dbraw/zinc/55/12/29/801551229.db2.gz RICXLSQGKCLMBJ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228215 801823681 /nfs/dbraw/zinc/82/36/81/801823681.db2.gz FGLIGMZCDKNOLL-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001215381335 801852246 /nfs/dbraw/zinc/85/22/46/801852246.db2.gz SRIZFWWWKUZQGV-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688823 802603486 /nfs/dbraw/zinc/60/34/86/802603486.db2.gz QSCNCOCGDYTNMG-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876758 802624007 /nfs/dbraw/zinc/62/40/07/802624007.db2.gz SFYIKRHUNQIXFZ-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521574 802700256 /nfs/dbraw/zinc/70/02/56/802700256.db2.gz WJGILXZSCOGVBW-LJQANCHMSA-N 2 0 319.493 2.315 20 30 DEEDRP Cn1cc(C[NH+]2CCC(F)(C[NH3+])CC2)c2cc(C#N)ccc21 ZINC001222553561 802706158 /nfs/dbraw/zinc/70/61/58/802706158.db2.gz XFOZDGIJKVBSKE-UHFFFAOYSA-N 2 0 300.381 2.313 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489274 802795174 /nfs/dbraw/zinc/79/51/74/802795174.db2.gz LPVGJSXOPQAINX-KURKYZTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223985330 802828931 /nfs/dbraw/zinc/82/89/31/802828931.db2.gz ZXSDOKIDVOBKFP-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224559035 802881764 /nfs/dbraw/zinc/88/17/64/802881764.db2.gz LUNSRHBXDGSWRA-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001420122583 1169175789 /nfs/dbraw/zinc/17/57/89/1169175789.db2.gz IRRKTJAIZFZFDX-CABCVRRESA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368335766 1148417343 /nfs/dbraw/zinc/41/73/43/1148417343.db2.gz JDLQDSKBMYKAQT-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP CC(C)[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C[C@H]2CCOC2)C1 ZINC001346082359 1150939767 /nfs/dbraw/zinc/93/97/67/1150939767.db2.gz YADOMBHVZGILSN-HZPDHXFCSA-N 2 0 324.513 2.087 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001328427434 1148791720 /nfs/dbraw/zinc/79/17/20/1148791720.db2.gz OHEQNDJJJZTODF-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001328735442 1148829874 /nfs/dbraw/zinc/82/98/74/1148829874.db2.gz AWESTOUJOJIETE-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001328940315 1148850272 /nfs/dbraw/zinc/85/02/72/1148850272.db2.gz FZCXKKKJTOPPFS-VMWRSERWSA-N 2 0 315.461 2.350 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001499858037 1058328631 /nfs/dbraw/zinc/32/86/31/1058328631.db2.gz QQOISNXAOQKLSK-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500196922 1058583065 /nfs/dbraw/zinc/58/30/65/1058583065.db2.gz FWBFNSPMCXCXCW-AEFFLSMTSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001500381766 1058738875 /nfs/dbraw/zinc/73/88/75/1058738875.db2.gz DQLSTWOPSXSXQE-PKOBYXMFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001502150161 1060002789 /nfs/dbraw/zinc/00/27/89/1060002789.db2.gz NOWZOKCVZKPNSY-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001502732051 1060255471 /nfs/dbraw/zinc/25/54/71/1060255471.db2.gz VJFGEQWKJFQFOG-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001503200410 1060437109 /nfs/dbraw/zinc/43/71/09/1060437109.db2.gz KFYSGLATRSOZIO-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C[C@@H](C#N)OCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001473806958 1060730528 /nfs/dbraw/zinc/73/05/28/1060730528.db2.gz GXDMOJQLBHOGJO-UHOSZYNNSA-N 2 0 313.445 2.369 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001505660721 1060833238 /nfs/dbraw/zinc/83/32/38/1060833238.db2.gz NYMJNBHRPKDPJJ-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479525944 1061495277 /nfs/dbraw/zinc/49/52/77/1061495277.db2.gz VCJKNHRCIHONSU-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001479777675 1061736548 /nfs/dbraw/zinc/73/65/48/1061736548.db2.gz AMSIFDXYLSPSBX-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CCC)CC1 ZINC001479834400 1061866946 /nfs/dbraw/zinc/86/69/46/1061866946.db2.gz OXWVWPDCFQPCBP-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506504481 1062057434 /nfs/dbraw/zinc/05/74/34/1062057434.db2.gz HCRSJZZYOFIEKO-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CC[NH2+]C[C@H](CCCC)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001506546867 1062111602 /nfs/dbraw/zinc/11/16/02/1062111602.db2.gz ZOVKCUGXLWBOOJ-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479968468 1062123390 /nfs/dbraw/zinc/12/33/90/1062123390.db2.gz LIHFKXSLCSAMLQ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001479969019 1062125780 /nfs/dbraw/zinc/12/57/80/1062125780.db2.gz REFAGGFVMSMULY-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001480270017 1062573201 /nfs/dbraw/zinc/57/32/01/1062573201.db2.gz UNVZQKZEADSCTF-SFHVURJKSA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001507027626 1062692478 /nfs/dbraw/zinc/69/24/78/1062692478.db2.gz RKLOFCOTRZSCPZ-ZWKOTPCHSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001480384715 1062763693 /nfs/dbraw/zinc/76/36/93/1062763693.db2.gz CJRHWOKRUJCBQD-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480695633 1063200871 /nfs/dbraw/zinc/20/08/71/1063200871.db2.gz DAJGFXVHSAXNCT-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001507399598 1063230497 /nfs/dbraw/zinc/23/04/97/1063230497.db2.gz AYYKIQKRSOVGDT-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001507854921 1063442009 /nfs/dbraw/zinc/44/20/09/1063442009.db2.gz NOPPAOKIBKFCOJ-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001493086703 1063549737 /nfs/dbraw/zinc/54/97/37/1063549737.db2.gz UMMAIEFVKRAGCH-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001567660314 1064325027 /nfs/dbraw/zinc/32/50/27/1064325027.db2.gz YCPFVOBJYNWDKW-INIZCTEOSA-N 2 0 301.434 2.104 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567702633 1064358157 /nfs/dbraw/zinc/35/81/57/1064358157.db2.gz HBZVMMKVJOYEGE-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567731988 1064385689 /nfs/dbraw/zinc/38/56/89/1064385689.db2.gz TXATWFMFCASCAR-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567742791 1064396558 /nfs/dbraw/zinc/39/65/58/1064396558.db2.gz USSMKGRNQDTMOV-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001568158407 1064675523 /nfs/dbraw/zinc/67/55/23/1064675523.db2.gz OLXSVBNEDFNTSI-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH2+]C[C@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001495279299 1064803247 /nfs/dbraw/zinc/80/32/47/1064803247.db2.gz BAHHPCPWCPLQHN-SFHVURJKSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001568437990 1064873947 /nfs/dbraw/zinc/87/39/47/1064873947.db2.gz PBXIHADFRLXFQH-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001568457223 1064885435 /nfs/dbraw/zinc/88/54/35/1064885435.db2.gz IVKPKYYMJPRPBE-QGZVFWFLSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001495443737 1064909864 /nfs/dbraw/zinc/90/98/64/1064909864.db2.gz GOZDIGAZMRFXJE-CALCHBBNSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001568514916 1064929141 /nfs/dbraw/zinc/92/91/41/1064929141.db2.gz DNAMSTKLWUAAMU-SJORKVTESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001495490701 1064942395 /nfs/dbraw/zinc/94/23/95/1064942395.db2.gz UHDXSVMMTOIDAQ-GOSISDBHSA-N 2 0 315.461 2.453 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001495495758 1064945753 /nfs/dbraw/zinc/94/57/53/1064945753.db2.gz HAKOFJIWRYBYHX-UHFFFAOYSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2 ZINC001495978298 1065203833 /nfs/dbraw/zinc/20/38/33/1065203833.db2.gz LPMNQDKSUCXXBU-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001569080704 1065274192 /nfs/dbraw/zinc/27/41/92/1065274192.db2.gz HUUCBZBQIKBBJB-JQHSSLGASA-N 2 0 315.461 2.002 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001569165711 1065333205 /nfs/dbraw/zinc/33/32/05/1065333205.db2.gz VEQUNNVELKXAGC-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001496300097 1065393656 /nfs/dbraw/zinc/39/36/56/1065393656.db2.gz IVYAMDNGLXZAER-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001496350407 1065421308 /nfs/dbraw/zinc/42/13/08/1065421308.db2.gz HRWJCIRTCHLPOG-RDTXWAMCSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001569436664 1065507833 /nfs/dbraw/zinc/50/78/33/1065507833.db2.gz KKYFRHBPPYFZAI-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001569450547 1065515926 /nfs/dbraw/zinc/51/59/26/1065515926.db2.gz ZVPHGFCVBUZUQK-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001569452696 1065517758 /nfs/dbraw/zinc/51/77/58/1065517758.db2.gz XTNNBMOUWYJYBJ-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001569455570 1065517977 /nfs/dbraw/zinc/51/79/77/1065517977.db2.gz RDESAYYSOJIDQQ-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001569523413 1065568392 /nfs/dbraw/zinc/56/83/92/1065568392.db2.gz SWOHWIHWGOVPBD-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001496576868 1065572183 /nfs/dbraw/zinc/57/21/83/1065572183.db2.gz ZERFGBITNWKWKQ-QGZVFWFLSA-N 2 0 312.417 2.010 20 30 DEEDRP 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 1065784921 /nfs/dbraw/zinc/78/49/21/1065784921.db2.gz SPPIVVYMMIDXMI-IGKNDFSCSA-N 2 0 319.493 2.072 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001569984357 1065860423 /nfs/dbraw/zinc/86/04/23/1065860423.db2.gz SOQLPZLNANUZMV-GJZGRUSLSA-N 2 0 315.889 2.153 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001570090967 1065920436 /nfs/dbraw/zinc/92/04/36/1065920436.db2.gz LCNDHNHYKDRLLY-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001570260972 1065994539 /nfs/dbraw/zinc/99/45/39/1065994539.db2.gz RRUANWXCWLTSCB-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001570346963 1066023872 /nfs/dbraw/zinc/02/38/72/1066023872.db2.gz RMPXPPQVEZHYOS-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCCCC1 ZINC001497404239 1066074418 /nfs/dbraw/zinc/07/44/18/1066074418.db2.gz SRKZKLHUSUVYLF-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001570510852 1066101138 /nfs/dbraw/zinc/10/11/38/1066101138.db2.gz ZGPMCNUQAQFDNC-HOTGVXAUSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001498379670 1066667498 /nfs/dbraw/zinc/66/74/98/1066667498.db2.gz ATILBOQXRLMNAB-YOEHRIQHSA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001499458525 1067227714 /nfs/dbraw/zinc/22/77/14/1067227714.db2.gz HGHRLOIAOGUGQC-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001483438877 1078534404 /nfs/dbraw/zinc/53/44/04/1078534404.db2.gz VRWREEKZUGQVRR-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001483438878 1078534204 /nfs/dbraw/zinc/53/42/04/1078534204.db2.gz VRWREEKZUGQVRR-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC001580065969 1067487885 /nfs/dbraw/zinc/48/78/85/1067487885.db2.gz ADZPLQZCHHAABI-AWEZNQCLSA-N 2 0 305.447 2.210 20 30 DEEDRP N#Cc1ccc(NCCN[C@H]2C[NH2+]CC[C@H]2c2ccccc2)nc1 ZINC001580070134 1067489039 /nfs/dbraw/zinc/48/90/39/1067489039.db2.gz PLAWMOUPOAIXLX-ROUUACIJSA-N 2 0 321.428 2.100 20 30 DEEDRP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001570682806 1068066361 /nfs/dbraw/zinc/06/63/61/1068066361.db2.gz DRLXPIUTRHIWRI-MRXNPFEDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284072799 1078647229 /nfs/dbraw/zinc/64/72/29/1078647229.db2.gz WCNDLVSEVWDNGX-XYJFISCASA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001571518470 1068382843 /nfs/dbraw/zinc/38/28/43/1068382843.db2.gz FVUZYVQCDNMMSD-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001272281308 1078779623 /nfs/dbraw/zinc/77/96/23/1078779623.db2.gz PWTJVRPRHWRYGH-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001670871839 1078838405 /nfs/dbraw/zinc/83/84/05/1078838405.db2.gz HUSOQSVLMSLBGP-HOTGVXAUSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267588062 1079095212 /nfs/dbraw/zinc/09/52/12/1079095212.db2.gz FIDBLOQEASZEPJ-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001483800908 1079129026 /nfs/dbraw/zinc/12/90/26/1079129026.db2.gz FDXRHJNKDABBBF-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001267604076 1079172380 /nfs/dbraw/zinc/17/23/80/1079172380.db2.gz JAFKPECXMNVMGB-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001481174570 1079291631 /nfs/dbraw/zinc/29/16/31/1079291631.db2.gz RGAQNJLCSIOGDX-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001481194531 1079323059 /nfs/dbraw/zinc/32/30/59/1079323059.db2.gz KTZYNOHPRRWGOJ-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484160432 1079334447 /nfs/dbraw/zinc/33/44/47/1079334447.db2.gz FXIHHYQZQFRFQA-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267657830 1079347998 /nfs/dbraw/zinc/34/79/98/1079347998.db2.gz FVFQUEDUBOGMGV-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267683644 1079371925 /nfs/dbraw/zinc/37/19/25/1079371925.db2.gz SHCZTCSTLRLCOX-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001566124061 1075233065 /nfs/dbraw/zinc/23/30/65/1075233065.db2.gz FLSCBYPCMVJTGO-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001566597909 1075292829 /nfs/dbraw/zinc/29/28/29/1075292829.db2.gz HRMVNWFKRDWDOW-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682262 1075315983 /nfs/dbraw/zinc/31/59/83/1075315983.db2.gz SYNGYPDAUBFNRP-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566799207 1075347963 /nfs/dbraw/zinc/34/79/63/1075347963.db2.gz GGQRZUXXFYAKLG-JYJNAYRXSA-N 2 0 307.482 2.452 20 30 DEEDRP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001567116304 1075435605 /nfs/dbraw/zinc/43/56/05/1075435605.db2.gz MXXJZEKXHPQUIT-SJORKVTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567143973 1075443576 /nfs/dbraw/zinc/44/35/76/1075443576.db2.gz UDDBUKZZVUYBCG-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001567265806 1075481373 /nfs/dbraw/zinc/48/13/73/1075481373.db2.gz FFVRTHBWLOYPLQ-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339103 1079549298 /nfs/dbraw/zinc/54/92/98/1079549298.db2.gz STMRKCXKDWWDGG-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001484563603 1079662784 /nfs/dbraw/zinc/66/27/84/1079662784.db2.gz QZSUWWLLVINEEQ-PBHICJAKSA-N 2 0 301.434 2.091 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001481340284 1079734426 /nfs/dbraw/zinc/73/44/26/1079734426.db2.gz PQYTZVVCLBUDQY-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001481350703 1079744065 /nfs/dbraw/zinc/74/40/65/1079744065.db2.gz POLHPHAJGNVRQB-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001484750471 1079779443 /nfs/dbraw/zinc/77/94/43/1079779443.db2.gz JCLMCLSSHXRCEQ-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001484820313 1079813497 /nfs/dbraw/zinc/81/34/97/1079813497.db2.gz NQTVAQCTTXROSK-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C#C[C@@H](C)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001652433697 1079874916 /nfs/dbraw/zinc/87/49/16/1079874916.db2.gz WAISUTJPAQTOEV-OAHLLOKOSA-N 2 0 315.417 2.461 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500153 1079959582 /nfs/dbraw/zinc/95/95/82/1079959582.db2.gz CXBGYJVDCFWHAX-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268068821 1080015668 /nfs/dbraw/zinc/01/56/68/1080015668.db2.gz OUJQFHOJWWLKLQ-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001496428917 1080026004 /nfs/dbraw/zinc/02/60/04/1080026004.db2.gz PDDLJMMHGABLOJ-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP 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 1080040179 /nfs/dbraw/zinc/04/01/79/1080040179.db2.gz FVNSMNBMIZZDFQ-RHSMWYFYSA-N 2 0 313.461 2.212 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001268124870 1080091733 /nfs/dbraw/zinc/09/17/33/1080091733.db2.gz ZCAMTWXKFVRKCU-SJLPKXTDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833429 1080127772 /nfs/dbraw/zinc/12/77/72/1080127772.db2.gz QILLOAGGRNYTCC-SJORKVTESA-N 2 0 321.509 2.321 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485582534 1080313664 /nfs/dbraw/zinc/31/36/64/1080313664.db2.gz QNTDTCUXWVCKNG-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268366614 1080378264 /nfs/dbraw/zinc/37/82/64/1080378264.db2.gz NZMTXSHTICKTPA-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001661752628 1080518119 /nfs/dbraw/zinc/51/81/19/1080518119.db2.gz NGNGBNKZVUHVLN-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001661950292 1080548841 /nfs/dbraw/zinc/54/88/41/1080548841.db2.gz LCNDHNHYKDRLLY-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001662315299 1080596172 /nfs/dbraw/zinc/59/61/72/1080596172.db2.gz YLKSNUDTUKVAGN-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001662508118 1080613400 /nfs/dbraw/zinc/61/34/00/1080613400.db2.gz RBLABFKKYPRKJA-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001481947291 1080637790 /nfs/dbraw/zinc/63/77/90/1080637790.db2.gz HEUQMDFGRCESJR-SFHVURJKSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001482010765 1080686387 /nfs/dbraw/zinc/68/63/87/1080686387.db2.gz VXIFKUSLTLSZBQ-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001663120245 1080706621 /nfs/dbraw/zinc/70/66/21/1080706621.db2.gz RQLXWCFKWUERIF-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001482158862 1080867965 /nfs/dbraw/zinc/86/79/65/1080867965.db2.gz IDUAVRYMWFNICA-WMZOPIPTSA-N 2 0 315.461 2.045 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001664760045 1080956856 /nfs/dbraw/zinc/95/68/56/1080956856.db2.gz KIUHABHXFJUYGL-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001665671257 1081060937 /nfs/dbraw/zinc/06/09/37/1081060937.db2.gz YTKTTZBRXAIZPW-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001665951140 1081102001 /nfs/dbraw/zinc/10/20/01/1081102001.db2.gz DLZNEAKFBBYFIJ-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001269071614 1081109129 /nfs/dbraw/zinc/10/91/29/1081109129.db2.gz NDXLTXSXJFXCEG-AEFFLSMTSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001269097318 1081114965 /nfs/dbraw/zinc/11/49/65/1081114965.db2.gz ZZLSFPIEKIPGEZ-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001666219098 1081134167 /nfs/dbraw/zinc/13/41/67/1081134167.db2.gz MEPZCDNPVKSTRV-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001666341501 1081146147 /nfs/dbraw/zinc/14/61/47/1081146147.db2.gz ZPZLZINUYWEJIU-UHFFFAOYSA-N 2 0 315.461 2.310 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001269184313 1081155602 /nfs/dbraw/zinc/15/56/02/1081155602.db2.gz ZXAYOUKVIKTTAK-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCC1 ZINC001666771626 1081180219 /nfs/dbraw/zinc/18/02/19/1081180219.db2.gz CFMXSDAHRYOJMA-UHFFFAOYSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001666800000 1081181937 /nfs/dbraw/zinc/18/19/37/1081181937.db2.gz BPUDBDWLVFQJEO-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001269254642 1081185563 /nfs/dbraw/zinc/18/55/63/1081185563.db2.gz CWXKENOJPACXRX-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001482219508 1081251744 /nfs/dbraw/zinc/25/17/44/1081251744.db2.gz KLKRENPODUIKON-INIZCTEOSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001269533051 1081280798 /nfs/dbraw/zinc/28/07/98/1081280798.db2.gz NBYWFCNOYPWCAF-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001269554248 1081288538 /nfs/dbraw/zinc/28/85/38/1081288538.db2.gz SXSZQDNPUYFDRP-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001668431025 1081354151 /nfs/dbraw/zinc/35/41/51/1081354151.db2.gz ONSAZPUTTRPPOB-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC)CC1 ZINC001671504186 1081519944 /nfs/dbraw/zinc/51/99/44/1081519944.db2.gz QWTUORFOOWDJQZ-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001671536215 1081521940 /nfs/dbraw/zinc/52/19/40/1081521940.db2.gz MGMGYUFPVUFWJO-ZWKOTPCHSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001671863072 1081544195 /nfs/dbraw/zinc/54/41/95/1081544195.db2.gz RAOJDXWXAXBQIC-IBGZPJMESA-N 2 0 319.493 2.267 20 30 DEEDRP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001671916198 1081550325 /nfs/dbraw/zinc/55/03/25/1081550325.db2.gz GQECUYGAMGCMPM-PKOBYXMFSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482298734 1081557041 /nfs/dbraw/zinc/55/70/41/1081557041.db2.gz IMRLLXIGPMIUDS-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001672424357 1081597445 /nfs/dbraw/zinc/59/74/45/1081597445.db2.gz FBVNQPKRDRDYSG-ZJPYXAASSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1 ZINC001673242152 1081748531 /nfs/dbraw/zinc/74/85/31/1081748531.db2.gz QSTKIOHKJBPMDB-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482398382 1081791874 /nfs/dbraw/zinc/79/18/74/1081791874.db2.gz KHDGOVRIOZXENS-KRWDZBQOSA-N 2 0 309.498 2.415 20 30 DEEDRP C#CCC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001674611791 1081893989 /nfs/dbraw/zinc/89/39/89/1081893989.db2.gz JGUSAAOSWYLINX-DAWZGUTISA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCCC1 ZINC001271347212 1082016768 /nfs/dbraw/zinc/01/67/68/1082016768.db2.gz LCWOPCWTKIJODC-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001271405769 1082032016 /nfs/dbraw/zinc/03/20/16/1082032016.db2.gz YLPBOQNPRRQBQH-KDOFPFPSSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266459827 1082051118 /nfs/dbraw/zinc/05/11/18/1082051118.db2.gz UAGZHNPPRQYPFC-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266466726 1082056640 /nfs/dbraw/zinc/05/66/40/1082056640.db2.gz UMWDNFZQJIYLQF-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001271673541 1082105169 /nfs/dbraw/zinc/10/51/69/1082105169.db2.gz IPZYBVAJMWBLFH-JKSUJKDBSA-N 2 0 309.498 2.225 20 30 DEEDRP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001482495845 1082121028 /nfs/dbraw/zinc/12/10/28/1082121028.db2.gz SWHLRFKYIVKTST-IRXDYDNUSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438462 1083395570 /nfs/dbraw/zinc/39/55/70/1083395570.db2.gz BCDSYKDVUOMFBQ-SJLPKXTDSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550547 1083474442 /nfs/dbraw/zinc/47/44/42/1083474442.db2.gz ZWTXNFJKCORNKM-ZHALLVOQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001276672481 1083542909 /nfs/dbraw/zinc/54/29/09/1083542909.db2.gz IQRSQZDQSOLJIJ-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114998368 1083694533 /nfs/dbraw/zinc/69/45/33/1083694533.db2.gz QOFJUUPHFCPDOE-VQFNDLOPSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001277018788 1083733298 /nfs/dbraw/zinc/73/32/98/1083733298.db2.gz CEVIHEHEZYXRHQ-QAQDUYKDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001670919468 1084142930 /nfs/dbraw/zinc/14/29/30/1084142930.db2.gz ULYGGTPCLBFJPM-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001277865120 1084183918 /nfs/dbraw/zinc/18/39/18/1084183918.db2.gz XQMXBBDPHNBUQI-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001491360113 1084258071 /nfs/dbraw/zinc/25/80/71/1084258071.db2.gz CUIHSQMWDKSIQC-JCYILVPMSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001235007887 1084270217 /nfs/dbraw/zinc/27/02/17/1084270217.db2.gz RWGWPIGMVLYMQX-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCN(CC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1)C(=O)OCC ZINC001235232036 1084353039 /nfs/dbraw/zinc/35/30/39/1084353039.db2.gz GONMYRNOJICUOY-KRWDZBQOSA-N 2 0 323.481 2.485 20 30 DEEDRP C=C(C)CN1CC[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272871054 1084398923 /nfs/dbraw/zinc/39/89/23/1084398923.db2.gz VGVAJMARAFXPMG-SFHVURJKSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH2+]CCN1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001235610326 1084477314 /nfs/dbraw/zinc/47/73/14/1084477314.db2.gz FAURSNDTPHKVNC-KRWDZBQOSA-N 2 0 319.474 2.343 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001078711215 1084822323 /nfs/dbraw/zinc/82/23/23/1084822323.db2.gz QTXKLNWCHZGZKA-HUUCEWRRSA-N 2 0 317.433 2.158 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001486160008 1085098909 /nfs/dbraw/zinc/09/89/09/1085098909.db2.gz FDXRXFLRGMWKNT-IXDOHACOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181948 1085109383 /nfs/dbraw/zinc/10/93/83/1085109383.db2.gz WBEZPJAPZYUICM-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C ZINC001486414070 1085284434 /nfs/dbraw/zinc/28/44/34/1085284434.db2.gz UZRQNTDAESZWPA-ZFWWWQNUSA-N 2 0 306.454 2.427 20 30 DEEDRP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001486470750 1085357663 /nfs/dbraw/zinc/35/76/63/1085357663.db2.gz FXLVTRHKRQTQBA-JCYILVPMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000964709669 1085387366 /nfs/dbraw/zinc/38/73/66/1085387366.db2.gz NXNGSWPOOKDWHL-UHFFFAOYSA-N 2 0 317.433 2.158 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000965699342 1085634453 /nfs/dbraw/zinc/63/44/53/1085634453.db2.gz VZUXUAGJLSNXGA-UHFFFAOYSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518905 1088299000 /nfs/dbraw/zinc/29/90/00/1088299000.db2.gz SPLWDWQNHUNYEV-MWDXBVQZSA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848536 1088471492 /nfs/dbraw/zinc/47/14/92/1088471492.db2.gz ATRXTQRQUVIKFG-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850190 1088474097 /nfs/dbraw/zinc/47/40/97/1088474097.db2.gz JJYMVEDLFPQZNN-NXHRZFHOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001273200573 1088625762 /nfs/dbraw/zinc/62/57/62/1088625762.db2.gz DIZBLGBPNYOMDN-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832022 1088917891 /nfs/dbraw/zinc/91/78/91/1088917891.db2.gz JVKILWGHUUTAFI-VXNCWWDNSA-N 2 0 321.509 2.488 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001274412535 1091230771 /nfs/dbraw/zinc/23/07/71/1091230771.db2.gz GUAUBQSKJWWEBE-LXXRFIIISA-N 2 0 307.482 2.478 20 30 DEEDRP C#Cc1cccc(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001276098140 1091546739 /nfs/dbraw/zinc/54/67/39/1091546739.db2.gz ZAIMZTPSOGMPMJ-UHFFFAOYSA-N 2 0 320.440 2.489 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001276100221 1091549427 /nfs/dbraw/zinc/54/94/27/1091549427.db2.gz ZNDXHOJSKBVMNE-OAHLLOKOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001275299349 1091659094 /nfs/dbraw/zinc/65/90/94/1091659094.db2.gz RIARXPDIGGHWCX-UHFFFAOYSA-N 2 0 301.434 2.032 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273487437 1091877675 /nfs/dbraw/zinc/87/76/75/1091877675.db2.gz KHBOWFSWNWPXQH-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001273523722 1091900680 /nfs/dbraw/zinc/90/06/80/1091900680.db2.gz DDPLEHRWRPISRW-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542269 1091959154 /nfs/dbraw/zinc/95/91/54/1091959154.db2.gz FWOKOTYBJHMJCV-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CN1CC2(CCC1=O)CC[NH+](CCC[NH+](C)C)CC2 ZINC001273711743 1092008773 /nfs/dbraw/zinc/00/87/73/1092008773.db2.gz HIRKJWLCIQQKGL-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001275928018 1092332318 /nfs/dbraw/zinc/33/23/18/1092332318.db2.gz CDJWJMUKXKHVQC-HOCLYGCPSA-N 2 0 318.465 2.157 20 30 DEEDRP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001488993086 1092871982 /nfs/dbraw/zinc/87/19/82/1092871982.db2.gz VXVXOPSTKMTYJP-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001489232982 1092998209 /nfs/dbraw/zinc/99/82/09/1092998209.db2.gz VFDIAWWIKGHAQX-FGTMMUONSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001490774873 1093524104 /nfs/dbraw/zinc/52/41/04/1093524104.db2.gz SQGFYFFEIRSFMJ-OAHLLOKOSA-N 2 0 315.889 2.251 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001490777149 1093526390 /nfs/dbraw/zinc/52/63/90/1093526390.db2.gz NAXJTJDOUSDGDN-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001490803301 1093610149 /nfs/dbraw/zinc/61/01/49/1093610149.db2.gz DCTSLPBAFTWQRZ-ZACQAIPSSA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001691732611 1138216418 /nfs/dbraw/zinc/21/64/18/1138216418.db2.gz LWMWLQHZOKVSHK-QGZVFWFLSA-N 2 0 307.482 2.101 20 30 DEEDRP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001277997147 1138393594 /nfs/dbraw/zinc/39/35/94/1138393594.db2.gz ISCBXUJPSKMHRJ-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C[NH+](C)CCN(Cc1cc(C#N)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236933730 1138461064 /nfs/dbraw/zinc/46/10/64/1138461064.db2.gz UFMWARARSPUPKM-MRXNPFEDSA-N 2 0 320.868 2.327 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317168935 1139875202 /nfs/dbraw/zinc/87/52/02/1139875202.db2.gz XYKWDVIXAYXDEZ-SFHVURJKSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001319133125 1140510598 /nfs/dbraw/zinc/51/05/98/1140510598.db2.gz ZTTZSJIJTAGIOV-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCC1 ZINC001319353339 1140555429 /nfs/dbraw/zinc/55/54/29/1140555429.db2.gz GZBILXRUWFNBGM-UHFFFAOYSA-N 2 0 319.474 2.075 20 30 DEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001319405602 1140564519 /nfs/dbraw/zinc/56/45/19/1140564519.db2.gz UBZTXEUZKRUGLI-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001319957873 1140807207 /nfs/dbraw/zinc/80/72/07/1140807207.db2.gz ZKOBVCDUKBRDTA-QGZVFWFLSA-N 2 0 303.450 2.278 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001245992601 1140842928 /nfs/dbraw/zinc/84/29/28/1140842928.db2.gz ZCLVQSRAQNNPHT-BBWFWOEESA-N 2 0 300.487 2.191 20 30 DEEDRP N#Cc1cccc(CN([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246441880 1140899636 /nfs/dbraw/zinc/89/96/36/1140899636.db2.gz KSSCMASITIQJCO-GUDVDZBRSA-N 2 0 312.461 2.382 20 30 DEEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC001246550197 1140953236 /nfs/dbraw/zinc/95/32/36/1140953236.db2.gz MGRMNWHIRBEMGG-JFIYKMOQSA-N 2 0 321.465 2.237 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246736279 1141047844 /nfs/dbraw/zinc/04/78/44/1141047844.db2.gz WPAKTBIPNSQBAJ-RZRMAFQFSA-N 2 0 317.477 2.303 20 30 DEEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321211538 1141085848 /nfs/dbraw/zinc/08/58/48/1141085848.db2.gz ZZPIGMKLDYYHBZ-LXXRFIIISA-N 2 0 305.466 2.232 20 30 DEEDRP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001323826443 1141890363 /nfs/dbraw/zinc/89/03/63/1141890363.db2.gz ZUTAKZMJNWPKBJ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001323860712 1141894376 /nfs/dbraw/zinc/89/43/76/1141894376.db2.gz UNNDZHWOWJOUIK-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CC=C)CC1 ZINC001324419592 1142074616 /nfs/dbraw/zinc/07/46/16/1142074616.db2.gz COEVJBNJQJFYLH-UHFFFAOYSA-N 2 0 319.493 2.077 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278550618 1142078002 /nfs/dbraw/zinc/07/80/02/1142078002.db2.gz VTMQOKMEAOGMEL-AEFFLSMTSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001278611345 1142344620 /nfs/dbraw/zinc/34/46/20/1142344620.db2.gz WKIUXHZSGSQLIH-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1(C)C ZINC001278646074 1142651614 /nfs/dbraw/zinc/65/16/14/1142651614.db2.gz XUPZETORLOTRTD-LSDHHAIUSA-N 2 0 313.461 2.069 20 30 DEEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1OC ZINC001252625661 1142797428 /nfs/dbraw/zinc/79/74/28/1142797428.db2.gz XSKVYHLDKYJUCA-GBESFXJTSA-N 2 0 318.461 2.193 20 30 DEEDRP CN(CC[NH3+])CC[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254349009 1143086077 /nfs/dbraw/zinc/08/60/77/1143086077.db2.gz GLMINDBYDHLBQM-UHFFFAOYSA-N 2 0 318.440 2.010 20 30 DEEDRP C[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254635630 1143292431 /nfs/dbraw/zinc/29/24/31/1143292431.db2.gz HFZCWYBDOKLHLS-LPHOPBHVSA-N 2 0 312.461 2.216 20 30 DEEDRP COc1cc[nH+]c(N([C@H]2CC[C@@H](C#N)C2)C2CC[NH2+]CC2)c1 ZINC001254676412 1143310494 /nfs/dbraw/zinc/31/04/94/1143310494.db2.gz LJTBIIBDHMZMDT-HIFRSBDPSA-N 2 0 300.406 2.341 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001421659771 1171887242 /nfs/dbraw/zinc/88/72/42/1171887242.db2.gz UMWKIFSRZCSUGK-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001342082146 1143784217 /nfs/dbraw/zinc/78/42/17/1143784217.db2.gz UEYXNEBDCPIPSC-KRWDZBQOSA-N 2 0 315.461 2.189 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001257106139 1143888123 /nfs/dbraw/zinc/88/81/23/1143888123.db2.gz LXYLCJUPNFKGQV-QZTJIDSGSA-N 2 0 321.509 2.234 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+](CC)CC)CC1 ZINC001263298449 1144366983 /nfs/dbraw/zinc/36/69/83/1144366983.db2.gz WYPWPBCHSACOBX-HNNXBMFYSA-N 2 0 310.486 2.056 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001264090745 1144461899 /nfs/dbraw/zinc/46/18/99/1144461899.db2.gz BSQJJGZDFJHSPU-SQNIBIBYSA-N 2 0 321.509 2.319 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755369 1144607551 /nfs/dbraw/zinc/60/75/51/1144607551.db2.gz OMXXYXYPVJZHPS-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265088248 1144640562 /nfs/dbraw/zinc/64/05/62/1144640562.db2.gz BCVYHWHNHJETIH-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001265217517 1144669484 /nfs/dbraw/zinc/66/94/84/1144669484.db2.gz XUOMHIWIWDUHND-CVEARBPZSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265396724 1144702087 /nfs/dbraw/zinc/70/20/87/1144702087.db2.gz KILFANDSCWBSTP-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265454465 1144704911 /nfs/dbraw/zinc/70/49/11/1144704911.db2.gz QVBAYOXPFPAPGN-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001265540430 1144710524 /nfs/dbraw/zinc/71/05/24/1144710524.db2.gz QGEVYEZQFUVRFL-FGTMMUONSA-N 2 0 319.493 2.311 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266068943 1144802407 /nfs/dbraw/zinc/80/24/07/1144802407.db2.gz RWLSBINIAIYKME-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279589710 1144825153 /nfs/dbraw/zinc/82/51/53/1144825153.db2.gz YWRSWFMYEXJBKC-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001279624395 1144826388 /nfs/dbraw/zinc/82/63/88/1144826388.db2.gz JGBIXNBPJNEYSU-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)Cc2c[nH]cn2)c(F)c1 ZINC001279716164 1144827591 /nfs/dbraw/zinc/82/75/91/1144827591.db2.gz PHSNRQMFHILDKQ-UHFFFAOYSA-N 2 0 316.380 2.073 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001280308902 1144835306 /nfs/dbraw/zinc/83/53/06/1144835306.db2.gz WNHBTVHYWUWQET-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001316616949 1144930063 /nfs/dbraw/zinc/93/00/63/1144930063.db2.gz DGWFPIAFKDCXHZ-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001282959589 1145213803 /nfs/dbraw/zinc/21/38/03/1145213803.db2.gz VOFTVHOBWCIRJD-GVDBMIGSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001283557118 1145518020 /nfs/dbraw/zinc/51/80/20/1145518020.db2.gz OOGJKPQZGPPTCE-GOSISDBHSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001283692707 1145588395 /nfs/dbraw/zinc/58/83/95/1145588395.db2.gz SFBQMYJXRCSLQI-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001283940769 1145719087 /nfs/dbraw/zinc/71/90/87/1145719087.db2.gz TVOKRUJHUILHLA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001284067545 1145782820 /nfs/dbraw/zinc/78/28/20/1145782820.db2.gz LXQYZXZBGOAPSK-FUHWJXTLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001316631409 1145806511 /nfs/dbraw/zinc/80/65/11/1145806511.db2.gz ADDIJKVUCJBHAE-SHTZXODSSA-N 2 0 312.417 2.317 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316680193 1147300037 /nfs/dbraw/zinc/30/00/37/1147300037.db2.gz PTDXXNFXQNODTJ-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCOc1cccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)c1 ZINC001308198964 1147454394 /nfs/dbraw/zinc/45/43/94/1147454394.db2.gz FXGRRXRHZRXOBN-KRWDZBQOSA-N 2 0 317.477 2.367 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001316758088 1147568855 /nfs/dbraw/zinc/56/88/55/1147568855.db2.gz NMJFOEUXUURSPU-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001316937900 1147574338 /nfs/dbraw/zinc/57/43/38/1147574338.db2.gz ROGDMJQSDPJVCY-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316773873 1147596932 /nfs/dbraw/zinc/59/69/32/1147596932.db2.gz YKODSFOUUGLKNM-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001317018036 1147648700 /nfs/dbraw/zinc/64/87/00/1147648700.db2.gz XTGODFKSGGIPQO-DLBZAZTESA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001317032926 1147650586 /nfs/dbraw/zinc/65/05/86/1147650586.db2.gz DDEXEOPQJFQFRH-IAGOWNOFSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317037295 1147651533 /nfs/dbraw/zinc/65/15/33/1147651533.db2.gz PTDREBMXYZXXIX-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001317082248 1147657513 /nfs/dbraw/zinc/65/75/13/1147657513.db2.gz LNNRXYABHRGUGU-XSLAGTTESA-N 2 0 319.493 2.003 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001317124251 1147662563 /nfs/dbraw/zinc/66/25/63/1147662563.db2.gz FSDBWRXHQRAIOV-NCOADZHNSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001317308792 1147688873 /nfs/dbraw/zinc/68/88/73/1147688873.db2.gz RZTCCVHYTCRMKB-HNNXBMFYSA-N 2 0 304.438 2.198 20 30 DEEDRP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317313110 1147689480 /nfs/dbraw/zinc/68/94/80/1147689480.db2.gz NPSJKUBPFFUAPT-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317321001 1147690443 /nfs/dbraw/zinc/69/04/43/1147690443.db2.gz DMBGQBDSMZBGSI-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317852830 1147757760 /nfs/dbraw/zinc/75/77/60/1147757760.db2.gz INRAPQLFXRALPG-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001324943145 1147860716 /nfs/dbraw/zinc/86/07/16/1147860716.db2.gz DPTHFBPGAARGAH-MJGOQNOKSA-N 2 0 319.493 2.102 20 30 DEEDRP CC[NH+](CC)CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001325890626 1148014673 /nfs/dbraw/zinc/01/46/73/1148014673.db2.gz IWYKUWWYEXVFDU-UHFFFAOYSA-N 2 0 302.422 2.208 20 30 DEEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713326 529774381 /nfs/dbraw/zinc/77/43/81/529774381.db2.gz ISVBNYVSLXWVOP-MOPGFXCFSA-N 2 0 312.461 2.216 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C[NH3+])o1)C(C)C ZINC000236690114 539738466 /nfs/dbraw/zinc/73/84/66/539738466.db2.gz AMEBLYAUSXZUCO-OAHLLOKOSA-N 2 0 305.422 2.167 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000060242048 354608955 /nfs/dbraw/zinc/60/89/55/354608955.db2.gz XVUXGQOUTXLGTA-UHFFFAOYSA-N 2 0 313.445 2.493 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000080674708 192180485 /nfs/dbraw/zinc/18/04/85/192180485.db2.gz HZIQCOZVZMMKRN-UHFFFAOYSA-N 2 0 324.513 2.445 20 30 DEEDRP N#CCSCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000074989713 355063829 /nfs/dbraw/zinc/06/38/29/355063829.db2.gz ZDEHTCKBOBUKDT-UHFFFAOYSA-N 2 0 311.495 2.068 20 30 DEEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083031547 355462428 /nfs/dbraw/zinc/46/24/28/355462428.db2.gz VLDWCEYJDHYOSD-GDBMZVCRSA-N 2 0 316.449 2.146 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000581720265 357236401 /nfs/dbraw/zinc/23/64/01/357236401.db2.gz BXYPZRAFULQTJB-YQQAZPJKSA-N 2 0 316.424 2.383 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]CC3CC[NH2+]CC3)CC2)cc1 ZINC000591576894 357738165 /nfs/dbraw/zinc/73/81/65/357738165.db2.gz LVEZWZJRBHWTLN-UHFFFAOYSA-N 2 0 312.461 2.112 20 30 DEEDRP CN(CC[N@H+](C)Cc1ccc(F)c(C#N)c1)C1CC[NH+](C)CC1 ZINC000180931692 199229629 /nfs/dbraw/zinc/22/96/29/199229629.db2.gz HDXXCXNVXXWVKG-UHFFFAOYSA-N 2 0 318.440 2.155 20 30 DEEDRP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1C#N ZINC000443978512 238133346 /nfs/dbraw/zinc/13/33/46/238133346.db2.gz HVRKRRWIERWFKE-SFHVURJKSA-N 2 0 301.434 2.193 20 30 DEEDRP C=CC[C@@H](CO)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000680495972 542012799 /nfs/dbraw/zinc/01/27/99/542012799.db2.gz RFOASXZBPUWSFL-AWEZNQCLSA-N 2 0 323.868 2.118 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000106333580 194198591 /nfs/dbraw/zinc/19/85/91/194198591.db2.gz HYGCSIGCPRYGMU-MRXNPFEDSA-N 2 0 322.497 2.058 20 30 DEEDRP COc1cc(C#N)ccc1OCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152340484 402090435 /nfs/dbraw/zinc/09/04/35/402090435.db2.gz JGZIGMGCOZAIEW-MRXNPFEDSA-N 2 0 317.433 2.219 20 30 DEEDRP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123536660 402133259 /nfs/dbraw/zinc/13/32/59/402133259.db2.gz ZJIKYNGUWVLVAF-GOSISDBHSA-N 2 0 322.497 2.095 20 30 DEEDRP COc1cccc([C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]2CCCC2)c1 ZINC000104155837 402199718 /nfs/dbraw/zinc/19/97/18/402199718.db2.gz ZWFFKPKICPJMIQ-KRWDZBQOSA-N 2 0 318.465 2.311 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000236687869 402374658 /nfs/dbraw/zinc/37/46/58/402374658.db2.gz ZANUKXNTOANBPX-GVDBMIGSSA-N 2 0 307.482 2.319 20 30 DEEDRP COCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000161507236 402389875 /nfs/dbraw/zinc/38/98/75/402389875.db2.gz FVMKERPQUDWYPE-OAHLLOKOSA-N 2 0 318.465 2.112 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171723078 402615007 /nfs/dbraw/zinc/61/50/07/402615007.db2.gz RASMFLQOEFRPFQ-HZPDHXFCSA-N 2 0 322.497 2.056 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181499919 402647473 /nfs/dbraw/zinc/64/74/73/402647473.db2.gz ZLAAPKCAHUCJPA-OAHLLOKOSA-N 2 0 318.465 2.364 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000175474493 402809524 /nfs/dbraw/zinc/80/95/24/402809524.db2.gz PLDRMBDWEMZIQQ-UHFFFAOYSA-N 2 0 310.486 2.058 20 30 DEEDRP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1O ZINC000346856267 403604941 /nfs/dbraw/zinc/60/49/41/403604941.db2.gz VUOTYCDIRNSDBP-XHSDSOJGSA-N 2 0 302.418 2.298 20 30 DEEDRP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000329711876 404429091 /nfs/dbraw/zinc/42/90/91/404429091.db2.gz PEGSVBNTDQSNAB-KKUMJFAQSA-N 2 0 324.469 2.112 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353392384 404820798 /nfs/dbraw/zinc/82/07/98/404820798.db2.gz YQWZLQNNEJHPKJ-HNAYVOBHSA-N 2 0 312.461 2.161 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000424129989 405016868 /nfs/dbraw/zinc/01/68/68/405016868.db2.gz DUVORUMPKNOXNH-KGLIPLIRSA-N 2 0 320.462 2.022 20 30 DEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000569803959 406304690 /nfs/dbraw/zinc/30/46/90/406304690.db2.gz GTCPLBAIUWYVEC-CGTJXYLNSA-N 2 0 318.461 2.227 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000571535635 406534111 /nfs/dbraw/zinc/53/41/11/406534111.db2.gz QRPSUTWIQLYUIF-UHFFFAOYSA-N 2 0 315.461 2.171 20 30 DEEDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422982179 230302895 /nfs/dbraw/zinc/30/28/95/230302895.db2.gz VVZNVTMFEHMFDD-GUTXKFCHSA-N 2 0 304.413 2.382 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655426 425195864 /nfs/dbraw/zinc/19/58/64/425195864.db2.gz MIQMHQHJTCYEHZ-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000651816078 425148356 /nfs/dbraw/zinc/14/83/56/425148356.db2.gz ATTOKJMOIISCGZ-IAGOWNOFSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940582 425691794 /nfs/dbraw/zinc/69/17/94/425691794.db2.gz CXQKSDCBFWWKLI-JKSUJKDBSA-N 2 0 303.454 2.066 20 30 DEEDRP C=CC[C@@]1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CCC[NH2+]1 ZINC000662697959 425715576 /nfs/dbraw/zinc/71/55/76/425715576.db2.gz FSFZIRBJXJOUCA-IBGZPJMESA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001424210723 1173701605 /nfs/dbraw/zinc/70/16/05/1173701605.db2.gz LPWLNRSJFCYGEH-ZIAGYGMSSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1ccnc1C ZINC001329953600 1149021894 /nfs/dbraw/zinc/02/18/94/1149021894.db2.gz ONFRYVCUMDJVDT-MRXNPFEDSA-N 2 0 304.438 2.128 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001330022886 1149035763 /nfs/dbraw/zinc/03/57/63/1149035763.db2.gz VJLOZDRSKZGYRC-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264100083 533988072 /nfs/dbraw/zinc/98/80/72/533988072.db2.gz NVOSUSLDQKWYDR-CYBMUJFWSA-N 2 0 320.437 2.162 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)N1 ZINC000262628009 533990992 /nfs/dbraw/zinc/99/09/92/533990992.db2.gz DXHWMFQSWIZYGT-GJZGRUSLSA-N 2 0 300.450 2.356 20 30 DEEDRP CNC(NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)=[NH+]C ZINC000262040683 526344447 /nfs/dbraw/zinc/34/44/47/526344447.db2.gz RWONCXRVOWGJTH-BXUZGUMPSA-N 2 0 312.820 2.267 20 30 DEEDRP C[NH+]=C(NCc1nc(C)cs1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262500405 526390548 /nfs/dbraw/zinc/39/05/48/526390548.db2.gz YDMBZJSXUAYMIW-CQSZACIVSA-N 2 0 321.494 2.087 20 30 DEEDRP C=CCN1CC[C@@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000337171108 526476354 /nfs/dbraw/zinc/47/63/54/526476354.db2.gz DLFIGWPUPGTCQK-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C(C)C ZINC000426417746 527650014 /nfs/dbraw/zinc/65/00/14/527650014.db2.gz CCCJILJLKIALAG-ZWKOTPCHSA-N 2 0 319.493 2.428 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000340123914 527650214 /nfs/dbraw/zinc/65/02/14/527650214.db2.gz ZNNACLBCAJSSDM-IXDOHACOSA-N 2 0 307.482 2.176 20 30 DEEDRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273133486 528153611 /nfs/dbraw/zinc/15/36/11/528153611.db2.gz BHOXJDWMAIRDRB-UHFFFAOYSA-N 2 0 318.465 2.316 20 30 DEEDRP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262772093 528805703 /nfs/dbraw/zinc/80/57/03/528805703.db2.gz IYPVSNGVHCLNCK-UKRRQHHQSA-N 2 0 324.538 2.310 20 30 DEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001327528613 1148579760 /nfs/dbraw/zinc/57/97/60/1148579760.db2.gz BOVKDVINOIJAPU-PKOBYXMFSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023466424 625283045 /nfs/dbraw/zinc/28/30/45/625283045.db2.gz CQMKBNQVRPFFBD-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008054481 625316941 /nfs/dbraw/zinc/31/69/41/625316941.db2.gz ZFANVTZGQKJEHW-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310601 625436655 /nfs/dbraw/zinc/43/66/55/625436655.db2.gz UOHGOJIOFDWBJM-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450048 625445024 /nfs/dbraw/zinc/44/50/24/625445024.db2.gz CKRUARAWZXWEQJ-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475146 625467390 /nfs/dbraw/zinc/46/73/90/625467390.db2.gz RRQJUCWUCYICBO-RDJZCZTQSA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144899 622589411 /nfs/dbraw/zinc/58/94/11/622589411.db2.gz WCDZEKWQYSPZBX-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021090909 623336380 /nfs/dbraw/zinc/33/63/80/623336380.db2.gz NSGRZSVPRVWWOB-WKILWMFISA-N 2 0 321.852 2.351 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970712646 623635861 /nfs/dbraw/zinc/63/58/61/623635861.db2.gz AGQYDZUUQDIKFC-OAHLLOKOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575934 623780103 /nfs/dbraw/zinc/78/01/03/623780103.db2.gz PFRCHBKHHFQJIA-HOTGVXAUSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021633776 623867998 /nfs/dbraw/zinc/86/79/98/623867998.db2.gz TYIIIYZCWHDSLG-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891520123 624467173 /nfs/dbraw/zinc/46/71/73/624467173.db2.gz DROOUPVMQPJAPV-MRXNPFEDSA-N 2 0 322.497 2.104 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000998769000 634398698 /nfs/dbraw/zinc/39/86/98/634398698.db2.gz HQGQGYSUUIUVAF-HJOIGYKYSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448139 625772313 /nfs/dbraw/zinc/77/23/13/625772313.db2.gz DKPGWVUAZFCCCK-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501691 625823823 /nfs/dbraw/zinc/82/38/23/625823823.db2.gz HSIQOMBLFIDERX-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001024513902 625830703 /nfs/dbraw/zinc/83/07/03/625830703.db2.gz ULMXRHZWULUEIO-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024614580 625932926 /nfs/dbraw/zinc/93/29/26/625932926.db2.gz JDNCHCLHXXLZBI-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024614578 625933340 /nfs/dbraw/zinc/93/33/40/625933340.db2.gz JDNCHCLHXXLZBI-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC000979083387 634495785 /nfs/dbraw/zinc/49/57/85/634495785.db2.gz YMPIJIIBIQRLHM-FJIDUMEYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999169839 634506168 /nfs/dbraw/zinc/50/61/68/634506168.db2.gz UWAYROPEWIAGKU-OFLPRAFFSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000999308096 634557117 /nfs/dbraw/zinc/55/71/17/634557117.db2.gz PIOALHIPJUVQAM-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000999554193 634625492 /nfs/dbraw/zinc/62/54/92/634625492.db2.gz BXNYHTHWPMKPMM-HNNXBMFYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001000202047 634788420 /nfs/dbraw/zinc/78/84/20/634788420.db2.gz SSMXNQFRNVUYFR-SFHVURJKSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC000995999715 633158613 /nfs/dbraw/zinc/15/86/13/633158613.db2.gz ZLKYHPJSGVVPQU-HOTGVXAUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000996663444 633338617 /nfs/dbraw/zinc/33/86/17/633338617.db2.gz OQEOYRRHBKJFIV-QGZVFWFLSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996749624 633394601 /nfs/dbraw/zinc/39/46/01/633394601.db2.gz SJIQTKSEGBYDCU-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045646 633396834 /nfs/dbraw/zinc/39/68/34/633396834.db2.gz BNQGYHFZURQXMY-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997078457 633567477 /nfs/dbraw/zinc/56/74/77/633567477.db2.gz JGYVQMWWHWQCJM-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997161597 633658703 /nfs/dbraw/zinc/65/87/03/633658703.db2.gz DRKCBXZZESDZKK-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997584725 633885897 /nfs/dbraw/zinc/88/58/97/633885897.db2.gz OXKMPSXNRYYRGV-YJBOKZPZSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000997586722 633886465 /nfs/dbraw/zinc/88/64/65/633886465.db2.gz OBQQXEZYIXPEFY-BHYGNILZSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997660676 633914727 /nfs/dbraw/zinc/91/47/27/633914727.db2.gz YDCJWNKXQYPNPW-HNNXBMFYSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980144762 634861657 /nfs/dbraw/zinc/86/16/57/634861657.db2.gz BNEOYZGNCDMGPP-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027919016 634966071 /nfs/dbraw/zinc/96/60/71/634966071.db2.gz SFAOGQAXQRMTOR-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001000677630 635273536 /nfs/dbraw/zinc/27/35/36/635273536.db2.gz UAQGCULIZBYVOM-PKOBYXMFSA-N 2 0 315.461 2.230 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981166004 635345865 /nfs/dbraw/zinc/34/58/65/635345865.db2.gz IPQZYVSTVSGFHD-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194259 635360152 /nfs/dbraw/zinc/36/01/52/635360152.db2.gz JSJDGLRAUMTPID-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001028054262 635384655 /nfs/dbraw/zinc/38/46/55/635384655.db2.gz VBHIDDCQGPNVSE-SFHVURJKSA-N 2 0 322.412 2.090 20 30 DEEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001001352801 635471546 /nfs/dbraw/zinc/47/15/46/635471546.db2.gz BCNJCIJZDJQWQM-SFHVURJKSA-N 2 0 317.477 2.023 20 30 DEEDRP 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 635944868 /nfs/dbraw/zinc/94/48/68/635944868.db2.gz SNTYHIQEOJNHMC-OGWHTMIXSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579550 636371639 /nfs/dbraw/zinc/37/16/39/636371639.db2.gz GVXBKDKFHHTEJT-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831218 636495412 /nfs/dbraw/zinc/49/54/12/636495412.db2.gz JFRDEQSOZVUJIN-KDURUIRLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028646397 636544690 /nfs/dbraw/zinc/54/46/90/636544690.db2.gz WBALIRTZRFMRKC-HNNXBMFYSA-N 2 0 312.417 2.271 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709581 636654831 /nfs/dbraw/zinc/65/48/31/636654831.db2.gz BGBCEZCYKODBHJ-MRXNPFEDSA-N 2 0 315.461 2.028 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005502344 636753809 /nfs/dbraw/zinc/75/38/09/636753809.db2.gz DAYNYCGCMZCQFL-SFHVURJKSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC001005585998 636789448 /nfs/dbraw/zinc/78/94/48/636789448.db2.gz TZRLZGCPJCRFIH-UHFFFAOYSA-N 2 0 304.438 2.035 20 30 DEEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919043 636851102 /nfs/dbraw/zinc/85/11/02/636851102.db2.gz PVJKNNVJHRKGCX-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923388918 637155858 /nfs/dbraw/zinc/15/58/58/637155858.db2.gz PNWTZSGSPJDNKR-RTBURBONSA-N 2 0 313.445 2.303 20 30 DEEDRP CC#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895098356 637554066 /nfs/dbraw/zinc/55/40/66/637554066.db2.gz JXDDMTDYRNSUMI-BHIYHBOVSA-N 2 0 300.446 2.261 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000986483154 639908306 /nfs/dbraw/zinc/90/83/06/639908306.db2.gz SVVCPALBWFBRNE-SWLSCSKDSA-N 2 0 318.808 2.279 20 30 DEEDRP CC1(C)CC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC(C)(C)[NH2+]1 ZINC000763227075 640519668 /nfs/dbraw/zinc/51/96/68/640519668.db2.gz UBQGHADWWJFKES-INIZCTEOSA-N 2 0 301.434 2.490 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989825581 641248276 /nfs/dbraw/zinc/24/82/76/641248276.db2.gz HRXBSGFHDXJMAX-YOEHRIQHSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000901233437 642601405 /nfs/dbraw/zinc/60/14/05/642601405.db2.gz LYKUPKIBLFSJAT-IRXDYDNUSA-N 2 0 301.434 2.056 20 30 DEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722524 643438953 /nfs/dbraw/zinc/43/89/53/643438953.db2.gz MAFQYMPBIMMYMY-RTBURBONSA-N 2 0 316.445 2.452 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991044938 643621645 /nfs/dbraw/zinc/62/16/45/643621645.db2.gz SENJBIKSXWOVBZ-JENIJYKNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000908230550 644788528 /nfs/dbraw/zinc/78/85/28/644788528.db2.gz PCCKNMIOFWIHMD-FUHWJXTLSA-N 2 0 315.461 2.274 20 30 DEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991624474 646549706 /nfs/dbraw/zinc/54/97/06/646549706.db2.gz MVWDMMJIDRYLPD-PKOBYXMFSA-N 2 0 322.412 2.084 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171298 646884265 /nfs/dbraw/zinc/88/42/65/646884265.db2.gz XIOCPELGJNQNCL-VQIMIIECSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992284820 646928826 /nfs/dbraw/zinc/92/88/26/646928826.db2.gz LZEFNMBTGBFOFA-IEBWSBKVSA-N 2 0 319.493 2.408 20 30 DEEDRP CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(C[NH+](C)C)cc1 ZINC000814885647 646939827 /nfs/dbraw/zinc/93/98/27/646939827.db2.gz GARCPCSNZVQORI-IAGOWNOFSA-N 2 0 313.449 2.332 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000913771219 647038716 /nfs/dbraw/zinc/03/87/16/647038716.db2.gz FCCPQYLPDDTPLS-UHFFFAOYSA-N 2 0 309.498 2.321 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000992770140 647236730 /nfs/dbraw/zinc/23/67/30/647236730.db2.gz LYUCLHLANJIQGO-ZTFGCOKTSA-N 2 0 324.428 2.351 20 30 DEEDRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000818971117 647553815 /nfs/dbraw/zinc/55/38/15/647553815.db2.gz YEWZRLOAXDGPRZ-YJBOKZPZSA-N 2 0 301.434 2.303 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993322229 647603286 /nfs/dbraw/zinc/60/32/86/647603286.db2.gz CFZWZTYMDTXQNN-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000819335600 647638692 /nfs/dbraw/zinc/63/86/92/647638692.db2.gz MJIBRJCUCJYPPR-MRXNPFEDSA-N 2 0 321.490 2.245 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993683282 647725173 /nfs/dbraw/zinc/72/51/73/647725173.db2.gz MJXUYUIIVFHJOI-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993683285 647725556 /nfs/dbraw/zinc/72/55/56/647725556.db2.gz MJXUYUIIVFHJOI-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994162360 647797658 /nfs/dbraw/zinc/79/76/58/647797658.db2.gz ACJRUILHMYKPTF-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842950 648955357 /nfs/dbraw/zinc/95/53/57/648955357.db2.gz TUSKXVQCAWHMLT-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865207 648957776 /nfs/dbraw/zinc/95/77/76/648957776.db2.gz UJYXJPGAKMKBBC-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943284 648974995 /nfs/dbraw/zinc/97/49/95/648974995.db2.gz KRWSYWCPKYYNFD-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980855 648978708 /nfs/dbraw/zinc/97/87/08/648978708.db2.gz ZVLQGJXYGZKYMF-JYJNAYRXSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942052288 649142837 /nfs/dbraw/zinc/14/28/37/649142837.db2.gz DVUNPHUYXSRTSV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942821179 649289695 /nfs/dbraw/zinc/28/96/95/649289695.db2.gz CVXFVFWIOKPLHR-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](CC#C)C2)C1 ZINC000829804315 649359008 /nfs/dbraw/zinc/35/90/08/649359008.db2.gz GOQXAGODUIEUFT-PMACEKPBSA-N 2 0 316.489 2.474 20 30 DEEDRP C[NH+]=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000848996582 651576130 /nfs/dbraw/zinc/57/61/30/651576130.db2.gz HHYKHWPBXIGPQM-MRXNPFEDSA-N 2 0 300.450 2.226 20 30 DEEDRP C[NH+]=C(NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000849026428 651586597 /nfs/dbraw/zinc/58/65/97/651586597.db2.gz ZKHWFHUPCKMIDT-GOSISDBHSA-N 2 0 300.450 2.226 20 30 DEEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000304745542 685258748 /nfs/dbraw/zinc/25/87/48/685258748.db2.gz FFFFUKRVUAWWSS-CYBMUJFWSA-N 2 0 320.437 2.305 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccccc1C ZINC000304750470 685258835 /nfs/dbraw/zinc/25/88/35/685258835.db2.gz ILVBQWVKCFBIPT-MRXNPFEDSA-N 2 0 318.465 2.153 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000304750106 685258925 /nfs/dbraw/zinc/25/89/25/685258925.db2.gz IDWMBZIENFTLPO-NVXWUHKLSA-N 2 0 302.466 2.487 20 30 DEEDRP CC[C@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000104167609 684058549 /nfs/dbraw/zinc/05/85/49/684058549.db2.gz NWFURWAYIWJFQW-QGZVFWFLSA-N 2 0 302.466 2.303 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302328 685037054 /nfs/dbraw/zinc/03/70/54/685037054.db2.gz LBLCXPCJDHFCNO-OWCLPIDISA-N 2 0 304.413 2.070 20 30 DEEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303880304 685237566 /nfs/dbraw/zinc/23/75/66/685237566.db2.gz HCJZYORYYZUHIW-HZPDHXFCSA-N 2 0 302.466 2.254 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCCC[NH+]2CCN(C)CC2)c1 ZINC000303894443 685238893 /nfs/dbraw/zinc/23/88/93/685238893.db2.gz OUXHYHXOXRSKEN-UHFFFAOYSA-N 2 0 317.481 2.003 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2C)CC1 ZINC000303982547 685242429 /nfs/dbraw/zinc/24/24/29/685242429.db2.gz QHJYIZACXLJALC-MRXNPFEDSA-N 2 0 314.477 2.415 20 30 DEEDRP CCCCCCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863551385 686520011 /nfs/dbraw/zinc/52/00/11/686520011.db2.gz KZOHFOKHITXTIK-CVEARBPZSA-N 2 0 309.454 2.214 20 30 DEEDRP CN(CC[N@H+](C)CC1CCC(C#N)CC1)C1CC[NH+](C)CC1 ZINC000930112281 694093036 /nfs/dbraw/zinc/09/30/36/694093036.db2.gz BWMAAODBHDZHOI-UHFFFAOYSA-N 2 0 306.498 2.274 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029000784 688548268 /nfs/dbraw/zinc/54/82/68/688548268.db2.gz JMQNXIYTDMEUBZ-MRXNPFEDSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155967 688940185 /nfs/dbraw/zinc/94/01/85/688940185.db2.gz BPKKXIQWZKDNHG-YQQAZPJKSA-N 2 0 307.482 2.297 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031767284 688992961 /nfs/dbraw/zinc/99/29/61/688992961.db2.gz UXLHXGCAEUUYBW-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032665051 689217797 /nfs/dbraw/zinc/21/77/97/689217797.db2.gz XSIFJZGVPSZAGK-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033125432 689398092 /nfs/dbraw/zinc/39/80/92/689398092.db2.gz DSBPMUADQVQTRN-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941817 689669055 /nfs/dbraw/zinc/66/90/55/689669055.db2.gz SGIZDKXPTCFESC-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003725 689689444 /nfs/dbraw/zinc/68/94/44/689689444.db2.gz HJKYPECBDACKEP-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284473 689794494 /nfs/dbraw/zinc/79/44/94/689794494.db2.gz KRWHMWVQRMAGMP-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285372 689795312 /nfs/dbraw/zinc/79/53/12/689795312.db2.gz CMRXWWSEAFSBLN-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328815 689810274 /nfs/dbraw/zinc/81/02/74/689810274.db2.gz DUPYUSFSELJMQU-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034538243 689891129 /nfs/dbraw/zinc/89/11/29/689891129.db2.gz KBZWERBIDWVKDA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C\[C@H]1CCC[NH2+]C1)C(C)C ZINC000876726465 689917563 /nfs/dbraw/zinc/91/75/63/689917563.db2.gz HNYKDERBFQSPLC-ZWHYWQQASA-N 2 0 319.493 2.357 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000876728771 689918194 /nfs/dbraw/zinc/91/81/94/689918194.db2.gz VDUQUWWNCQOUNO-LBPRGKRZSA-N 2 0 311.813 2.165 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000876728770 689918398 /nfs/dbraw/zinc/91/83/98/689918398.db2.gz VDUQUWWNCQOUNO-GFCCVEGCSA-N 2 0 311.813 2.165 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034663003 689922401 /nfs/dbraw/zinc/92/24/01/689922401.db2.gz NSAHXAZMKJRPCT-ULQDDVLXSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000876740352 689923260 /nfs/dbraw/zinc/92/32/60/689923260.db2.gz LTCQWBBZOOHOKU-ZIAGYGMSSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876776062 689933972 /nfs/dbraw/zinc/93/39/72/689933972.db2.gz DRYBXPBHDGMTQK-KBMXLJTQSA-N 2 0 321.852 2.236 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035184941 690053905 /nfs/dbraw/zinc/05/39/05/690053905.db2.gz IBKKVZBMJWACRH-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@]12CN(C[C@H](O)CC#N)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931223614 694343664 /nfs/dbraw/zinc/34/36/64/694343664.db2.gz DRHQXEYANHJHQS-QRVBRYPASA-N 2 0 313.445 2.105 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877447646 690115931 /nfs/dbraw/zinc/11/59/31/690115931.db2.gz ZNUCMXBXMWIHBP-BHYGNILZSA-N 2 0 320.481 2.154 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035721196 690161125 /nfs/dbraw/zinc/16/11/25/690161125.db2.gz SCVYDVCRSAZLHB-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035727227 690162474 /nfs/dbraw/zinc/16/24/74/690162474.db2.gz ROBZNOCNGKBPML-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035794662 690178266 /nfs/dbraw/zinc/17/82/66/690178266.db2.gz IPRPFOBTLMRFOD-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP COCC[N@@H+](Cc1ccc(C#N)cc1F)CC1CC[NH+](C)CC1 ZINC000877664830 690182891 /nfs/dbraw/zinc/18/28/91/690182891.db2.gz YKEYVULWNUCPQC-UHFFFAOYSA-N 2 0 319.424 2.488 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035858762 690195300 /nfs/dbraw/zinc/19/53/00/690195300.db2.gz ZCBAJMJFZWIHDQ-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001036027446 690238809 /nfs/dbraw/zinc/23/88/09/690238809.db2.gz BGFSJSRNSGZHIV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001036109850 690263872 /nfs/dbraw/zinc/26/38/72/690263872.db2.gz CRDYAVQCKVTDGI-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001036136234 690271950 /nfs/dbraw/zinc/27/19/50/690271950.db2.gz HVTKVGOHYIYHJM-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001036256188 690303113 /nfs/dbraw/zinc/30/31/13/690303113.db2.gz GEROSXFJJAXGQS-ZBFHGGJFSA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036852676 690499332 /nfs/dbraw/zinc/49/93/32/690499332.db2.gz HVOJRAWQTBZDNG-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001037870756 690628521 /nfs/dbraw/zinc/62/85/21/690628521.db2.gz XBAUTZMZXRWLMK-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC ZINC001037955777 690648832 /nfs/dbraw/zinc/64/88/32/690648832.db2.gz AOERUPYPRCPWBE-GDBMZVCRSA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038557574 690857990 /nfs/dbraw/zinc/85/79/90/690857990.db2.gz VPGUFEAAFLSSJV-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038863765 690948556 /nfs/dbraw/zinc/94/85/56/690948556.db2.gz NKBFNGROFUNFEJ-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038908880 690963471 /nfs/dbraw/zinc/96/34/71/690963471.db2.gz NVXZQGLGBTYUCL-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038908879 690963654 /nfs/dbraw/zinc/96/36/54/690963654.db2.gz NVXZQGLGBTYUCL-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163332 691036610 /nfs/dbraw/zinc/03/66/10/691036610.db2.gz AKIUPDXFIUAVFH-SJLPKXTDSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039163416 691037083 /nfs/dbraw/zinc/03/70/83/691037083.db2.gz CPMQTBTVJZDCAG-AEFFLSMTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001039382929 691093382 /nfs/dbraw/zinc/09/33/82/691093382.db2.gz ZGTHFNCCEPPGGG-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039447741 691108390 /nfs/dbraw/zinc/10/83/90/691108390.db2.gz IDGMUVAFBAVKPL-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040368514 691236628 /nfs/dbraw/zinc/23/66/28/691236628.db2.gz HTLWPSJKKFNADV-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040747066 691284656 /nfs/dbraw/zinc/28/46/56/691284656.db2.gz LDNKXLUFUWZKSN-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276213 691354740 /nfs/dbraw/zinc/35/47/40/691354740.db2.gz ISXOGSOCKGTWPN-IEBWSBKVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440973 691375637 /nfs/dbraw/zinc/37/56/37/691375637.db2.gz SAYIEGIASUTPTG-SFHVURJKSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446490 691376436 /nfs/dbraw/zinc/37/64/36/691376436.db2.gz SYUHVYNAWKSRPN-IBGZPJMESA-N 2 0 324.428 2.448 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767135 691427095 /nfs/dbraw/zinc/42/70/95/691427095.db2.gz FLPRQLNULVEBRF-IBGZPJMESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844584 691444621 /nfs/dbraw/zinc/44/46/21/691444621.db2.gz LRGRTPVDMPUDSZ-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001044332036 691807314 /nfs/dbraw/zinc/80/73/14/691807314.db2.gz XPRQSOSEUTVFDX-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001044814769 691891851 /nfs/dbraw/zinc/89/18/51/691891851.db2.gz HLVTVVFZUOSUMP-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885983840 691977379 /nfs/dbraw/zinc/97/73/79/691977379.db2.gz QZYOHNPIQUOAEW-KRWDZBQOSA-N 2 0 307.482 2.483 20 30 DEEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885983841 691977385 /nfs/dbraw/zinc/97/73/85/691977385.db2.gz QZYOHNPIQUOAEW-QGZVFWFLSA-N 2 0 307.482 2.483 20 30 DEEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000886021557 691985518 /nfs/dbraw/zinc/98/55/18/691985518.db2.gz YUUZCYPBUMFQBD-IRXDYDNUSA-N 2 0 305.466 2.239 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045608332 692004359 /nfs/dbraw/zinc/00/43/59/692004359.db2.gz MPYWRTYGFJHALT-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046315240 692150521 /nfs/dbraw/zinc/15/05/21/692150521.db2.gz IJIOZXWHHJNBDN-WMZOPIPTSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330497 692154958 /nfs/dbraw/zinc/15/49/58/692154958.db2.gz LGQPRSKGUBFNAZ-LZLYRXPVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001048538210 692641922 /nfs/dbraw/zinc/64/19/22/692641922.db2.gz MGRZLILDSSHZOE-XMTFNYHQSA-N 2 0 319.493 2.406 20 30 DEEDRP 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 692654901 /nfs/dbraw/zinc/65/49/01/692654901.db2.gz JVROGCDYOKIHKF-ZJPYXAASSA-N 2 0 319.493 2.264 20 30 DEEDRP 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 692779326 /nfs/dbraw/zinc/77/93/26/692779326.db2.gz BLSGBLNJPSUBLM-ZJPYXAASSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049486541 692897864 /nfs/dbraw/zinc/89/78/64/692897864.db2.gz REGMSCFHYKQKQV-BDXSIMOUSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514814 692907367 /nfs/dbraw/zinc/90/73/67/692907367.db2.gz JHCVNUGXQWGHHR-KZNAEPCWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049515032 692908369 /nfs/dbraw/zinc/90/83/69/692908369.db2.gz LCQVNRAUIMOMGP-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049642287 692949923 /nfs/dbraw/zinc/94/99/23/692949923.db2.gz UYKWBFRVRSPXIE-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049693870 692966983 /nfs/dbraw/zinc/96/69/83/692966983.db2.gz PLDFEVMMCDXMEE-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049718398 692974401 /nfs/dbraw/zinc/97/44/01/692974401.db2.gz IYWOAWGXQPZTJU-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000925843870 693352107 /nfs/dbraw/zinc/35/21/07/693352107.db2.gz HEEXHRVMCLYQOT-HNNXBMFYSA-N 2 0 318.440 2.423 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526903 693558999 /nfs/dbraw/zinc/55/89/99/693558999.db2.gz MRGVNUACEDWUHF-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001402322009 1162324269 /nfs/dbraw/zinc/32/42/69/1162324269.db2.gz WBDXMZVPWOKSQM-LSDHHAIUSA-N 2 0 313.873 2.096 20 30 DEEDRP C[N@H+](CCCCC1(C#N)CCC1)CCCN1CC[NH+](C)CC1 ZINC001354459626 1151896471 /nfs/dbraw/zinc/89/64/71/1151896471.db2.gz HPVGKDIGKXIQKC-UHFFFAOYSA-N 2 0 306.498 2.420 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001380861768 1152867947 /nfs/dbraw/zinc/86/79/47/1152867947.db2.gz NYWMWIJUTZCZDH-CQSZACIVSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392149564 1156876720 /nfs/dbraw/zinc/87/67/20/1156876720.db2.gz HECMWJNXCFRIJV-RBSFLKMASA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373292655 1156939414 /nfs/dbraw/zinc/93/94/14/1156939414.db2.gz MIXKATKTSWLQGF-HUUCEWRRSA-N 2 0 315.889 2.105 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001400861701 1161836843 /nfs/dbraw/zinc/83/68/43/1161836843.db2.gz XEWJYVSWXGBTDU-GJZGRUSLSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001419518101 1168565805 /nfs/dbraw/zinc/56/58/05/1168565805.db2.gz XKOUSHLDBYISEY-LBPRGKRZSA-N 2 0 303.878 2.059 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001420122586 1169176688 /nfs/dbraw/zinc/17/66/88/1169176688.db2.gz IRRKTJAIZFZFDX-HUUCEWRRSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001423017132 1173018249 /nfs/dbraw/zinc/01/82/49/1173018249.db2.gz WOJPSFOYJRZNRO-GJZGRUSLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001423284494 1173205514 /nfs/dbraw/zinc/20/55/14/1173205514.db2.gz JFKOVYWRGOWEJF-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001437333670 1179732034 /nfs/dbraw/zinc/73/20/34/1179732034.db2.gz QBVIWGJXBUFXQQ-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001438715147 1180784719 /nfs/dbraw/zinc/78/47/19/1180784719.db2.gz PLAGGQIWVHNSCW-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001440859553 1181733245 /nfs/dbraw/zinc/73/32/45/1181733245.db2.gz XYHBGDLYDJUGTK-UHFFFAOYSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001441412801 1181982681 /nfs/dbraw/zinc/98/26/81/1181982681.db2.gz CHZDEENHMGDYSK-UKRRQHHQSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106515834 782758026 /nfs/dbraw/zinc/75/80/26/782758026.db2.gz FIJXSFZAHMTSCJ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001333395773 1150044717 /nfs/dbraw/zinc/04/47/17/1150044717.db2.gz WWWIHSYEJGSBSL-WMZOPIPTSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050384 790419198 /nfs/dbraw/zinc/41/91/98/790419198.db2.gz XMQHXMLKSKISHI-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C#CCCC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001209266837 776684702 /nfs/dbraw/zinc/68/47/02/776684702.db2.gz DPVOISLZNBAARD-UHFFFAOYSA-N 2 0 300.450 2.264 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167438529 777046680 /nfs/dbraw/zinc/04/66/80/777046680.db2.gz XEXYIITYRVODLX-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523324 777289006 /nfs/dbraw/zinc/28/90/06/777289006.db2.gz YMXIBDVDKPWASB-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001203159746 777906437 /nfs/dbraw/zinc/90/64/37/777906437.db2.gz UCSMJLSNQZRJKT-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981874326 778725077 /nfs/dbraw/zinc/72/50/77/778725077.db2.gz GZJGTJUALGUWHJ-UHFFFAOYSA-N 2 0 310.401 2.058 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000983493060 779105798 /nfs/dbraw/zinc/10/57/98/779105798.db2.gz XBZFPGHXVPPHQK-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396707 779376987 /nfs/dbraw/zinc/37/69/87/779376987.db2.gz SUYMRKNJIFMJHL-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636519 779389061 /nfs/dbraw/zinc/38/90/61/779389061.db2.gz VMNUOLMMXDKLPW-RCCFBDPRSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671711 779405824 /nfs/dbraw/zinc/40/58/24/779405824.db2.gz MCEWYEZNTHJEFH-GVDBMIGSSA-N 2 0 305.466 2.016 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696754 779413038 /nfs/dbraw/zinc/41/30/38/779413038.db2.gz LHHURRZRCDLVKU-FGTMMUONSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087749825 779436410 /nfs/dbraw/zinc/43/64/10/779436410.db2.gz BOVIZHIPTWXRQM-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088655879 780693209 /nfs/dbraw/zinc/69/32/09/780693209.db2.gz WOMOQUIRNXSCRX-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335875 780851818 /nfs/dbraw/zinc/85/18/18/780851818.db2.gz YJEXLLMDWOZFLC-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473381 783478077 /nfs/dbraw/zinc/47/80/77/783478077.db2.gz FIWSQPPEQPRPLO-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCN1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948603543 783521629 /nfs/dbraw/zinc/52/16/29/783521629.db2.gz JUJFGCHZBWVEAQ-UHFFFAOYSA-N 2 0 307.463 2.144 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778821 784067853 /nfs/dbraw/zinc/06/78/53/784067853.db2.gz IEXYDOOGEDZXGL-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876156 784167143 /nfs/dbraw/zinc/16/71/43/784167143.db2.gz SQNOWHPAWLVHRO-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378115 784339193 /nfs/dbraw/zinc/33/91/93/784339193.db2.gz NTOWEZJNUAOCIV-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882750 784635647 /nfs/dbraw/zinc/63/56/47/784635647.db2.gz TYSOAXHPPYNLHO-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000968915517 784648637 /nfs/dbraw/zinc/64/86/37/784648637.db2.gz LVWLIZUAMONQPK-WBVHZDCISA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007334948 784891536 /nfs/dbraw/zinc/89/15/36/784891536.db2.gz YDYSNHPBWMOHHJ-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008767704 785298601 /nfs/dbraw/zinc/29/86/01/785298601.db2.gz KIKMSRRQUIXJCP-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108786275 785533792 /nfs/dbraw/zinc/53/37/92/785533792.db2.gz WBAUMBKTQBKYDK-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584962 786165515 /nfs/dbraw/zinc/16/55/15/786165515.db2.gz RQYMIYRQFHYXMP-HKUYNNGSSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597477 787129789 /nfs/dbraw/zinc/12/97/89/787129789.db2.gz SDOWFUUFVOXOTR-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101221 787135235 /nfs/dbraw/zinc/13/52/35/787135235.db2.gz FNOVQQOCNZTZGM-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCN(C)CC[NH3+])cc1 ZINC001170505216 787436645 /nfs/dbraw/zinc/43/66/45/787436645.db2.gz QXGQBAGUTXAVAX-GOSISDBHSA-N 2 0 302.466 2.312 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799133 787742939 /nfs/dbraw/zinc/74/29/39/787742939.db2.gz JLBFXMBTKJPVFE-UHFFFAOYSA-N 2 0 303.450 2.076 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141216 787947030 /nfs/dbraw/zinc/94/70/30/787947030.db2.gz PRDBQICFLSYNDC-HZPDHXFCSA-N 2 0 316.449 2.063 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2C)CC[C@@H]1C ZINC001132354738 788034584 /nfs/dbraw/zinc/03/45/84/788034584.db2.gz OYLSLXRKADYAFH-HOCLYGCPSA-N 2 0 304.438 2.127 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493995 788104768 /nfs/dbraw/zinc/10/47/68/788104768.db2.gz OYCUOGZDJDAMAD-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132925572 788228706 /nfs/dbraw/zinc/22/87/06/788228706.db2.gz YHAOSCHJJJIXAH-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP 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 788248540 /nfs/dbraw/zinc/24/85/40/788248540.db2.gz GOIHRPKPAVQGBS-HZMVEIRTSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121962 788287825 /nfs/dbraw/zinc/28/78/25/788287825.db2.gz MUTDIHIDDNYOBF-IRXDYDNUSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133123050 788288718 /nfs/dbraw/zinc/28/87/18/788288718.db2.gz XYZUPKQGHLBJRA-JKSUJKDBSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974165 788303663 /nfs/dbraw/zinc/30/36/63/788303663.db2.gz AFTLIMZVARTNDE-WCXIOVBPSA-N 2 0 305.466 2.157 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133197540 788313926 /nfs/dbraw/zinc/31/39/26/788313926.db2.gz ZLUFUOSWRIUJIH-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134518093 788960371 /nfs/dbraw/zinc/96/03/71/788960371.db2.gz BBFJYQDXWZTCQH-KBPBESRZSA-N 2 0 321.490 2.320 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888258 789128132 /nfs/dbraw/zinc/12/81/32/789128132.db2.gz LJHZBFLOOLMZDG-ZIAGYGMSSA-N 2 0 300.406 2.397 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101351 789198974 /nfs/dbraw/zinc/19/89/74/789198974.db2.gz LHAZZRMFXMVAQA-SJORKVTESA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135610762 789417282 /nfs/dbraw/zinc/41/72/82/789417282.db2.gz ZYGCWDMCJQNDHG-UONOGXRCSA-N 2 0 315.889 2.344 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135690898 789451113 /nfs/dbraw/zinc/45/11/13/789451113.db2.gz LOWTZKXIAOFAPI-DLBZAZTESA-N 2 0 309.498 2.395 20 30 DEEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147211953 791476842 /nfs/dbraw/zinc/47/68/42/791476842.db2.gz KFKXQDYDOCXZKS-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001098292104 791602375 /nfs/dbraw/zinc/60/23/75/791602375.db2.gz UCZCPLNRUDHGEZ-VXNCWWDNSA-N 2 0 317.477 2.160 20 30 DEEDRP C=C(Cl)CN1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148636560 791785742 /nfs/dbraw/zinc/78/57/42/791785742.db2.gz YZHOQFDANSCQEV-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926586 791854011 /nfs/dbraw/zinc/85/40/11/791854011.db2.gz CQCGKXGHKIMNJF-INIZCTEOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171354187 791868847 /nfs/dbraw/zinc/86/88/47/791868847.db2.gz KEAPEIYNFJGCMT-AWEZNQCLSA-N 2 0 304.438 2.212 20 30 DEEDRP 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 792239189 /nfs/dbraw/zinc/23/91/89/792239189.db2.gz FRTXRIHMASDQBV-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319488 792589476 /nfs/dbraw/zinc/58/94/76/792589476.db2.gz OGGSMCQLEWDPEX-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562313 792721450 /nfs/dbraw/zinc/72/14/50/792721450.db2.gz ISERGMWUTDWYMA-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158295 792960258 /nfs/dbraw/zinc/96/02/58/792960258.db2.gz KKNZUGYUZJGODM-OWSLCNJRSA-N 2 0 319.493 2.404 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036038 792978194 /nfs/dbraw/zinc/97/81/94/792978194.db2.gz HGFFAAPFYCYEIC-ABHNRTSZSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344787 793130697 /nfs/dbraw/zinc/13/06/97/793130697.db2.gz CYOURZBIZFYQOY-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171628785 793139569 /nfs/dbraw/zinc/13/95/69/793139569.db2.gz AZRBSJUNJKRNIL-AWEZNQCLSA-N 2 0 312.417 2.154 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101430008 793156396 /nfs/dbraw/zinc/15/63/96/793156396.db2.gz KILTYYNTIJCHJA-SCTDSRPQSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669480 793165524 /nfs/dbraw/zinc/16/55/24/793165524.db2.gz XXKWNDDSWWFBKW-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C[C@@H](CCCC#N)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001172476819 793426838 /nfs/dbraw/zinc/42/68/38/793426838.db2.gz QWEYMMGFSAXVIW-SFHVURJKSA-N 2 0 314.477 2.476 20 30 DEEDRP CC(C)N(C)Cc1nnc2n1CCCN([C@H](C)CCCC#N)C2 ZINC001172497315 793437664 /nfs/dbraw/zinc/43/76/64/793437664.db2.gz AXPRUUKVIULDLV-OAHLLOKOSA-N 2 0 318.469 2.406 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292598 793561849 /nfs/dbraw/zinc/56/18/49/793561849.db2.gz UYRRSVRRCGABFC-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357732 793584441 /nfs/dbraw/zinc/58/44/41/793584441.db2.gz HOLTUJYEQIXZKO-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579607 793663217 /nfs/dbraw/zinc/66/32/17/793663217.db2.gz GTQRQINNZREZBF-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596788 793667089 /nfs/dbraw/zinc/66/70/89/793667089.db2.gz YARCUBUQACRUCT-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CSCC)CC1 ZINC001173315258 793688252 /nfs/dbraw/zinc/68/82/52/793688252.db2.gz OJLVGQVLLYUJOV-QGZVFWFLSA-N 2 0 311.539 2.420 20 30 DEEDRP CC[N@@H+]1CC[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173356620 793695779 /nfs/dbraw/zinc/69/57/79/793695779.db2.gz GIERQHIRHOBEGL-GOSISDBHSA-N 2 0 312.461 2.229 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001103060282 793919494 /nfs/dbraw/zinc/91/94/94/793919494.db2.gz DWLBHDFUNDVDQG-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103700 793941489 /nfs/dbraw/zinc/94/14/89/793941489.db2.gz VDKGZFVTRHIEBI-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497750 794117956 /nfs/dbraw/zinc/11/79/56/794117956.db2.gz XBYBHRYUCOTNTL-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263462 794171975 /nfs/dbraw/zinc/17/19/75/794171975.db2.gz PXIXXBQQTHCJRI-DZGCQCFKSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753318 794468680 /nfs/dbraw/zinc/46/86/80/794468680.db2.gz UIYKPTYMECXKAK-NTDBWNAOSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC=C)CC1 ZINC001176738174 794484031 /nfs/dbraw/zinc/48/40/31/794484031.db2.gz PJMAUJQGXFLZDP-KRWDZBQOSA-N 2 0 319.493 2.172 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176759274 794499433 /nfs/dbraw/zinc/49/94/33/794499433.db2.gz HTYZVNNODLKFOX-ROUUACIJSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001111870929 794508475 /nfs/dbraw/zinc/50/84/75/794508475.db2.gz SVXKWFWAADKUID-LNLFQRSKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450464 794777728 /nfs/dbraw/zinc/77/77/28/794777728.db2.gz BDSLREPAZPNAHO-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614396 794842697 /nfs/dbraw/zinc/84/26/97/794842697.db2.gz BTIHACGSPFJVDY-UHFFFAOYSA-N 2 0 317.477 2.047 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730907 794898965 /nfs/dbraw/zinc/89/89/65/794898965.db2.gz ULGNRRGXNRKSJF-CVEARBPZSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234386 795081095 /nfs/dbraw/zinc/08/10/95/795081095.db2.gz MNOUECINQJGJHU-RYQLBKOJSA-N 2 0 319.493 2.406 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001179353133 795097544 /nfs/dbraw/zinc/09/75/44/795097544.db2.gz ASGPUCNLSGQWSL-KRWDZBQOSA-N 2 0 307.482 2.008 20 30 DEEDRP C#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001118401712 795184913 /nfs/dbraw/zinc/18/49/13/795184913.db2.gz XQWWVDUMCYQSMG-INIZCTEOSA-N 2 0 315.436 2.423 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001180352282 795280582 /nfs/dbraw/zinc/28/05/82/795280582.db2.gz NTXIUZKYQVBWPI-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372849 795292999 /nfs/dbraw/zinc/29/29/99/795292999.db2.gz IQGAJJRCWPKSMN-SFHVURJKSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCCn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nn1 ZINC001120072555 795402302 /nfs/dbraw/zinc/40/23/02/795402302.db2.gz WVDIGANULVNDBQ-ZOBUZTSGSA-N 2 0 303.454 2.016 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120208057 795422206 /nfs/dbraw/zinc/42/22/06/795422206.db2.gz SOBWFBVXJOKNIS-UHFFFAOYSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120429831 795458682 /nfs/dbraw/zinc/45/86/82/795458682.db2.gz BUGFYZPNHHLRII-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120458661 795464535 /nfs/dbraw/zinc/46/45/35/795464535.db2.gz IEDCFQHHCLUECR-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C[NH+](C)CC#CC[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC001120583216 795491017 /nfs/dbraw/zinc/49/10/17/795491017.db2.gz OFRMGOMQKJQDAK-UHFFFAOYSA-N 2 0 300.446 2.230 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001182170435 795617645 /nfs/dbraw/zinc/61/76/45/795617645.db2.gz VLVMLBIGBDTRIF-HHXXYDBFSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576011 795895283 /nfs/dbraw/zinc/89/52/83/795895283.db2.gz ABSOIRQVLDCMRB-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230146 796007714 /nfs/dbraw/zinc/00/77/14/796007714.db2.gz KKPRURJGSZYCEI-HZPDHXFCSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184654774 796101224 /nfs/dbraw/zinc/10/12/24/796101224.db2.gz WOQBOWFPGJEKMO-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184714336 796109492 /nfs/dbraw/zinc/10/94/92/796109492.db2.gz XMDBFRQUBRIJOI-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184737087 796118015 /nfs/dbraw/zinc/11/80/15/796118015.db2.gz YFIFZMTUVIXSRS-RDJZCZTQSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3nccn32)C[C@@H]1C ZINC001184799772 796128057 /nfs/dbraw/zinc/12/80/57/796128057.db2.gz QHLSDPCIIYGSHI-LSDHHAIUSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001184934348 796147232 /nfs/dbraw/zinc/14/72/32/796147232.db2.gz PTJNFGPJPVBHPU-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027103 796513260 /nfs/dbraw/zinc/51/32/60/796513260.db2.gz CMYPBGVGHGJGCP-CVEARBPZSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111194 796765086 /nfs/dbraw/zinc/76/50/86/796765086.db2.gz XCLARRJZCNTADD-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846271 797461301 /nfs/dbraw/zinc/46/13/01/797461301.db2.gz LCRVWPJNDYNRBI-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066818 797673952 /nfs/dbraw/zinc/67/39/52/797673952.db2.gz NVCVRYVERVRQEV-ZIAGYGMSSA-N 2 0 303.878 2.152 20 30 DEEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001156305706 797971452 /nfs/dbraw/zinc/97/14/52/797971452.db2.gz FORCRVRFMFIZHC-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865608 797977682 /nfs/dbraw/zinc/97/76/82/797977682.db2.gz MVIMOYAUEYDRHT-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001196059982 797997433 /nfs/dbraw/zinc/99/74/33/797997433.db2.gz BVWGQOJYLOPXPN-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001196163015 798014627 /nfs/dbraw/zinc/01/46/27/798014627.db2.gz FBVLDSLWBIMQGN-NVXWUHKLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417597 798057542 /nfs/dbraw/zinc/05/75/42/798057542.db2.gz WZUFDBDITZDRIK-UHFFFAOYSA-N 2 0 305.466 2.115 20 30 DEEDRP N#Cc1ccccc1CNc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001156786602 798081886 /nfs/dbraw/zinc/08/18/86/798081886.db2.gz HWBKROUQQPHYRK-UHFFFAOYSA-N 2 0 307.401 2.493 20 30 DEEDRP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198098183 798279365 /nfs/dbraw/zinc/27/93/65/798279365.db2.gz QISRZOSKRVTGPE-QGZVFWFLSA-N 2 0 309.498 2.443 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203901959 798317247 /nfs/dbraw/zinc/31/72/47/798317247.db2.gz AJFOZZZIUOBNCR-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001158061901 798334921 /nfs/dbraw/zinc/33/49/21/798334921.db2.gz UWCMYCRIZTVPPP-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555659 798427774 /nfs/dbraw/zinc/42/77/74/798427774.db2.gz WLFGHQHWPAJLCQ-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115153778 798448763 /nfs/dbraw/zinc/44/87/63/798448763.db2.gz ARLJSVWJFYFHPQ-CBZIJGRNSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160367223 798679911 /nfs/dbraw/zinc/67/99/11/798679911.db2.gz FQEISXLOJKONQA-GOSISDBHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390959 798844639 /nfs/dbraw/zinc/84/46/39/798844639.db2.gz MBNMMQSQRUYHAO-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924450 798968873 /nfs/dbraw/zinc/96/88/73/798968873.db2.gz CYPUAZLYNFOKDI-CALCHBBNSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952014 798977506 /nfs/dbraw/zinc/97/75/06/798977506.db2.gz AKOQQFJXNPZUFP-SFHVURJKSA-N 2 0 319.493 2.431 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114467498 799129714 /nfs/dbraw/zinc/12/97/14/799129714.db2.gz ZKZAOCULEVBCBS-XWTMOSNGSA-N 2 0 321.509 2.488 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531178 799617601 /nfs/dbraw/zinc/61/76/01/799617601.db2.gz AQRBSZKSNQBYDQ-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001166389759 799865782 /nfs/dbraw/zinc/86/57/82/799865782.db2.gz GZMHLYFSUBYLPS-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736057 799935973 /nfs/dbraw/zinc/93/59/73/799935973.db2.gz BOVOEECTGMORIX-UHFFFAOYSA-N 2 0 303.450 2.076 20 30 DEEDRP C#CC[NH2+]C1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001203301508 800033653 /nfs/dbraw/zinc/03/36/53/800033653.db2.gz DDZYGRLLDFSSIR-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203315842 800035907 /nfs/dbraw/zinc/03/59/07/800035907.db2.gz BPDFUYHBZBKSBC-HOTGVXAUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203578225 800083682 /nfs/dbraw/zinc/08/36/82/800083682.db2.gz VSBGYCBLABGBDI-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203614442 800090583 /nfs/dbraw/zinc/09/05/83/800090583.db2.gz JFDRCPKGNJOEEX-JKSUJKDBSA-N 2 0 317.477 2.065 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770482 800120281 /nfs/dbraw/zinc/12/02/81/800120281.db2.gz GQSVCJRMJIFBBK-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001203853865 800133307 /nfs/dbraw/zinc/13/33/07/800133307.db2.gz ZYCOCJQSGCOISU-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461024 800360190 /nfs/dbraw/zinc/36/01/90/800360190.db2.gz DFKCOLDTLPFJLB-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206057374 800465489 /nfs/dbraw/zinc/46/54/89/800465489.db2.gz ULBYJYGALJSJJE-UHFFFAOYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871229 800611124 /nfs/dbraw/zinc/61/11/24/800611124.db2.gz CVOZICCBTDWFLN-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206928937 800631718 /nfs/dbraw/zinc/63/17/18/800631718.db2.gz NZIMHCUWXRHXDW-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208330943 800956544 /nfs/dbraw/zinc/95/65/44/800956544.db2.gz IBCACMNOLGCKGX-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001209162348 801140144 /nfs/dbraw/zinc/14/01/44/801140144.db2.gz VXRKYVXUCMXHEW-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001229185605 801238824 /nfs/dbraw/zinc/23/88/24/801238824.db2.gz OYOBQFMSNUPJPK-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230618397 801438931 /nfs/dbraw/zinc/43/89/31/801438931.db2.gz MLCJUMIKUCORAY-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)C(C)C ZINC001211221109 801532232 /nfs/dbraw/zinc/53/22/32/801532232.db2.gz BALBIXJCEABDHW-YESZJQIVSA-N 2 0 322.497 2.077 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262325 801538751 /nfs/dbraw/zinc/53/87/51/801538751.db2.gz OGKTYJVQKKTKTK-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211367094 801554491 /nfs/dbraw/zinc/55/44/91/801554491.db2.gz NVHKHLWWRNICIG-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001231818558 801734149 /nfs/dbraw/zinc/73/41/49/801734149.db2.gz VSPHGIJIRXJZEP-MSOLQXFVSA-N 2 0 312.461 2.420 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889987 802624968 /nfs/dbraw/zinc/62/49/68/802624968.db2.gz XROUKILCPUEQOT-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]21 ZINC001223690587 802808934 /nfs/dbraw/zinc/80/89/34/802808934.db2.gz ICDZBUZQWPMPKW-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955161 802825991 /nfs/dbraw/zinc/82/59/91/802825991.db2.gz ITDVUOZGISMMSJ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224754514 802900984 /nfs/dbraw/zinc/90/09/84/802900984.db2.gz YXAHAPIDZLZNBP-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001225541437 802979272 /nfs/dbraw/zinc/97/92/72/802979272.db2.gz CJPWZECBDBDDGQ-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001227733637 803273115 /nfs/dbraw/zinc/27/31/15/803273115.db2.gz AAAFQFGJQNFAMH-QZTJIDSGSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001228440450 803360341 /nfs/dbraw/zinc/36/03/41/803360341.db2.gz IRYZPAZMBNZYGU-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001330900417 1149328421 /nfs/dbraw/zinc/32/84/21/1149328421.db2.gz OJBDRMBDLRJRQE-DLBZAZTESA-N 2 0 307.482 2.006 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001500131183 1058514953 /nfs/dbraw/zinc/51/49/53/1058514953.db2.gz KRIKJVWFANYRKA-ZWKOTPCHSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001500501534 1058859669 /nfs/dbraw/zinc/85/96/69/1058859669.db2.gz BFFSWPFYKLFOOL-SFHVURJKSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001501118255 1059300171 /nfs/dbraw/zinc/30/01/71/1059300171.db2.gz IUKUBKUAJLCKPH-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001502807890 1060313667 /nfs/dbraw/zinc/31/36/67/1060313667.db2.gz TXTLVFDHHLPFNW-SFHVURJKSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001502831798 1060337752 /nfs/dbraw/zinc/33/77/52/1060337752.db2.gz FFQSIJVLQSKGDR-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502968407 1060407185 /nfs/dbraw/zinc/40/71/85/1060407185.db2.gz MAOMQEUBBAVXQO-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001503023405 1060425713 /nfs/dbraw/zinc/42/57/13/1060425713.db2.gz LSTUVCMWANUGFA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001479868530 1061955068 /nfs/dbraw/zinc/95/50/68/1061955068.db2.gz HYJSJEDZGSXVQL-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001479914893 1062046424 /nfs/dbraw/zinc/04/64/24/1062046424.db2.gz XTUYUZNCLHKMAI-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001479984333 1062146508 /nfs/dbraw/zinc/14/65/08/1062146508.db2.gz AJYHQUYHBQJMBZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001479985467 1062146615 /nfs/dbraw/zinc/14/66/15/1062146615.db2.gz PIDKWIWTYKRYNX-JKSUJKDBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001506663724 1062253907 /nfs/dbraw/zinc/25/39/07/1062253907.db2.gz VWCOGGHMKIAWBB-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480088268 1062305923 /nfs/dbraw/zinc/30/59/23/1062305923.db2.gz WPFICPDWBLWQLH-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001480190213 1062442099 /nfs/dbraw/zinc/44/20/99/1062442099.db2.gz YIAKRDJHJSTTOD-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001506960431 1062601201 /nfs/dbraw/zinc/60/12/01/1062601201.db2.gz NZZNCCNSVGQABA-UHFFFAOYSA-N 2 0 324.428 2.202 20 30 DEEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001507027624 1062692753 /nfs/dbraw/zinc/69/27/53/1062692753.db2.gz RKLOFCOTRZSCPZ-QZTJIDSGSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001507084539 1062806176 /nfs/dbraw/zinc/80/61/76/1062806176.db2.gz HFQWLJADPOVRPI-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480614007 1063105987 /nfs/dbraw/zinc/10/59/87/1063105987.db2.gz IAAJEOREKDBMGN-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001507349597 1063139290 /nfs/dbraw/zinc/13/92/90/1063139290.db2.gz WAGRKLBZFUVKFR-QAPCUYQASA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001480823481 1063400977 /nfs/dbraw/zinc/40/09/77/1063400977.db2.gz JRKZTKQLDNGJGX-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CCC)CC2)CC1 ZINC001508163889 1063587185 /nfs/dbraw/zinc/58/71/85/1063587185.db2.gz YQGABICGLYKEJN-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001493966751 1064047486 /nfs/dbraw/zinc/04/74/86/1064047486.db2.gz GHAZSZAXHWZVOE-MSOLQXFVSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001494044226 1064100363 /nfs/dbraw/zinc/10/03/63/1064100363.db2.gz WTIALGQSGNLQKZ-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494159712 1064148105 /nfs/dbraw/zinc/14/81/05/1064148105.db2.gz MICQMKMZLHJHHX-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567405978 1064184646 /nfs/dbraw/zinc/18/46/46/1064184646.db2.gz LXTAGSXFVGXGQD-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001567729678 1064382317 /nfs/dbraw/zinc/38/23/17/1064382317.db2.gz LRAWMDFXYAVBEH-JKSUJKDBSA-N 2 0 318.465 2.477 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001567740848 1064393196 /nfs/dbraw/zinc/39/31/96/1064393196.db2.gz FXYIMYKCVHZLPH-GOSISDBHSA-N 2 0 315.461 2.085 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)Cc2cncn2C)CC1 ZINC001567752593 1064404327 /nfs/dbraw/zinc/40/43/27/1064404327.db2.gz ZMCAJRCRAVOICP-UHFFFAOYSA-N 2 0 318.465 2.099 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001494722364 1064432994 /nfs/dbraw/zinc/43/29/94/1064432994.db2.gz GOZXNTQIJNXVFG-KRWDZBQOSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001568358329 1064804267 /nfs/dbraw/zinc/80/42/67/1064804267.db2.gz CLECLBMQPBAGDQ-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568632716 1065008752 /nfs/dbraw/zinc/00/87/52/1065008752.db2.gz PDNAPUKTWPLMII-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001620567857 1078164649 /nfs/dbraw/zinc/16/46/49/1078164649.db2.gz RTLKESWXOGZRDE-UHFFFAOYSA-N 2 0 315.461 2.227 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496102920 1065276203 /nfs/dbraw/zinc/27/62/03/1065276203.db2.gz JJFVUKVQCKOJSY-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001496313143 1065402399 /nfs/dbraw/zinc/40/23/99/1065402399.db2.gz VYQCCRPSZXZEPU-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C1CCCCC1 ZINC001496327525 1065409069 /nfs/dbraw/zinc/40/90/69/1065409069.db2.gz UQPRXFQWCSQZJC-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569376283 1065472707 /nfs/dbraw/zinc/47/27/07/1065472707.db2.gz IJXVDFXEVKDKBY-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001569526194 1065569428 /nfs/dbraw/zinc/56/94/28/1065569428.db2.gz HYTNYRZBHSRFDF-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001569828911 1065750073 /nfs/dbraw/zinc/75/00/73/1065750073.db2.gz QDTYIBUXFRPRBU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC001625732623 1078250542 /nfs/dbraw/zinc/25/05/42/1078250542.db2.gz JSSNXMCNKYEQDS-UHFFFAOYSA-N 2 0 303.450 2.261 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC001626777163 1078262628 /nfs/dbraw/zinc/26/26/28/1078262628.db2.gz AMBPWLBFGLPXKW-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497828144 1066348950 /nfs/dbraw/zinc/34/89/50/1066348950.db2.gz UEOFSIAGZWWYGR-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001266984130 1078480930 /nfs/dbraw/zinc/48/09/30/1078480930.db2.gz VPDSRYHKSDISLF-WBVHZDCISA-N 2 0 303.450 2.350 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267089052 1078561800 /nfs/dbraw/zinc/56/18/00/1078561800.db2.gz BBXIENBVTPSCIP-QZTJIDSGSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001570570789 1068012349 /nfs/dbraw/zinc/01/23/49/1068012349.db2.gz OBJYUJFVEDOMBD-AQFXKWCLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267175905 1078640811 /nfs/dbraw/zinc/64/08/11/1078640811.db2.gz VQLIEJSOCGHQQF-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001570714570 1068088170 /nfs/dbraw/zinc/08/81/70/1068088170.db2.gz RCTWQFMKPHIUCU-ZDUSSCGKSA-N 2 0 309.479 2.436 20 30 DEEDRP C#CCC[NH2+][C@H](CCN(C)C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001570779510 1068115530 /nfs/dbraw/zinc/11/55/30/1068115530.db2.gz OXNOIBBCJJAMRQ-GOSISDBHSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001570813970 1068126145 /nfs/dbraw/zinc/12/61/45/1068126145.db2.gz JTNURODPJMRERF-HOTGVXAUSA-N 2 0 318.465 2.205 20 30 DEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001570826948 1068131141 /nfs/dbraw/zinc/13/11/41/1068131141.db2.gz HJZHUNGJDKOCPY-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001493296215 1078663353 /nfs/dbraw/zinc/66/33/53/1078663353.db2.gz IKCGAUCEMWVFHI-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001571558692 1068420382 /nfs/dbraw/zinc/42/03/82/1068420382.db2.gz OYOUMSFWTOFLNK-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001574756891 1069256284 /nfs/dbraw/zinc/25/62/84/1069256284.db2.gz HSFDQWCGKNQIGO-UHFFFAOYSA-N 2 0 311.429 2.072 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267496196 1078921717 /nfs/dbraw/zinc/92/17/17/1078921717.db2.gz OOZIJYPORQTOQQ-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(CC(C)C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001545058174 1072559012 /nfs/dbraw/zinc/55/90/12/1072559012.db2.gz HIAVGCSNFCAEGR-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1c[nH]cn1)c1ccccc1 ZINC001267518911 1078948921 /nfs/dbraw/zinc/94/89/21/1078948921.db2.gz AKASXZQGLVXLDE-KRWDZBQOSA-N 2 0 312.417 2.366 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001548702257 1072816592 /nfs/dbraw/zinc/81/65/92/1072816592.db2.gz GSVKGPIENZDHHC-NUJGCVRESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001272669660 1079098838 /nfs/dbraw/zinc/09/88/38/1079098838.db2.gz FITAMXLZKUSNMM-QGZVFWFLSA-N 2 0 303.450 2.261 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001267604581 1079175975 /nfs/dbraw/zinc/17/59/75/1079175975.db2.gz WVMWIABUWYIQDP-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001483933276 1079194899 /nfs/dbraw/zinc/19/48/99/1079194899.db2.gz YOUMMEXCHPUHKR-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001483997329 1079230847 /nfs/dbraw/zinc/23/08/47/1079230847.db2.gz WJSRGGWFHMLMRQ-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484172248 1079337428 /nfs/dbraw/zinc/33/74/28/1079337428.db2.gz GUZKHOQOOXGWFF-GOSISDBHSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001565872234 1075061008 /nfs/dbraw/zinc/06/10/08/1075061008.db2.gz JNLSEEUTQJXTER-YYIAUSFCSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001565835648 1075193271 /nfs/dbraw/zinc/19/32/71/1075193271.db2.gz QSIXKMRENLCGDB-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001566949943 1075396797 /nfs/dbraw/zinc/39/67/97/1075396797.db2.gz FZLKEOKGNKTICR-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001566984442 1075408417 /nfs/dbraw/zinc/40/84/17/1075408417.db2.gz ORHGIAXUHROIKU-UHFFFAOYSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001567109444 1075433447 /nfs/dbraw/zinc/43/34/47/1075433447.db2.gz MRDXTBRKONWPFN-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567128347 1075438303 /nfs/dbraw/zinc/43/83/03/1075438303.db2.gz NYVZDNKHSXNGPL-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267769182 1079474505 /nfs/dbraw/zinc/47/45/05/1079474505.db2.gz AUOIDIKXXGAINT-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267898949 1079585294 /nfs/dbraw/zinc/58/52/94/1079585294.db2.gz YEQQXQXYCFXUAF-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267932946 1079615012 /nfs/dbraw/zinc/61/50/12/1079615012.db2.gz XHCVSUWHFOGKQQ-YVSFHVDLSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268001148 1079682755 /nfs/dbraw/zinc/68/27/55/1079682755.db2.gz WVHIJTHRCXYTGO-AEFFLSMTSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481401289 1079787053 /nfs/dbraw/zinc/78/70/53/1079787053.db2.gz VRSIGQZNQQQURG-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001268037461 1079872200 /nfs/dbraw/zinc/87/22/00/1079872200.db2.gz JCESNOGOJGNZAI-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001485037299 1079932476 /nfs/dbraw/zinc/93/24/76/1079932476.db2.gz NAQSGMUQEHXOPA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268068823 1080015537 /nfs/dbraw/zinc/01/55/37/1080015537.db2.gz OUJQFHOJWWLKLQ-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1C ZINC001268138022 1080106863 /nfs/dbraw/zinc/10/68/63/1080106863.db2.gz OSHZCOLPMIBYPA-ZWKOTPCHSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001268196849 1080185906 /nfs/dbraw/zinc/18/59/06/1080185906.db2.gz GBVJVUFIRGCPDR-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481647565 1080231002 /nfs/dbraw/zinc/23/10/02/1080231002.db2.gz CDSLPNNFANVXSV-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253021 1080232192 /nfs/dbraw/zinc/23/21/92/1080232192.db2.gz IOOKMJGDOFEQTN-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001661079171 1080439878 /nfs/dbraw/zinc/43/98/78/1080439878.db2.gz VDXVJQHEWCWLGJ-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001272715298 1080481309 /nfs/dbraw/zinc/48/13/09/1080481309.db2.gz ZRBGTMVKNGWZPD-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272718275 1080499202 /nfs/dbraw/zinc/49/92/02/1080499202.db2.gz GBHKSKKFSVQJLK-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP CC#CC[NH2+]CCN(CC)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268462764 1080535871 /nfs/dbraw/zinc/53/58/71/1080535871.db2.gz UCJDFGFIHVKZNM-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001662116941 1080570561 /nfs/dbraw/zinc/57/05/61/1080570561.db2.gz HAGKVDCMFGGLSO-DAWZGUTISA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001662508117 1080613569 /nfs/dbraw/zinc/61/35/69/1080613569.db2.gz RBLABFKKYPRKJA-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001482000110 1080681084 /nfs/dbraw/zinc/68/10/84/1080681084.db2.gz GGDQUMDEKGHVEU-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001663185463 1080716926 /nfs/dbraw/zinc/71/69/26/1080716926.db2.gz YTGLDWNKKJURFZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001482044334 1080740925 /nfs/dbraw/zinc/74/09/25/1080740925.db2.gz SWJZAUKHPILACH-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001663761104 1080813825 /nfs/dbraw/zinc/81/38/25/1080813825.db2.gz HXPLAMJRJQMDCF-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001664468171 1080913842 /nfs/dbraw/zinc/91/38/42/1080913842.db2.gz VKDPUEJRABUKAE-APWZRJJASA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001268734837 1080960623 /nfs/dbraw/zinc/96/06/23/1080960623.db2.gz BBMQLBPULKNJMY-HNNXBMFYSA-N 2 0 307.482 2.099 20 30 DEEDRP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001666017575 1081111560 /nfs/dbraw/zinc/11/15/60/1081111560.db2.gz RTLFLYVIDNTFPM-MPGHIAIKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001666333610 1081144674 /nfs/dbraw/zinc/14/46/74/1081144674.db2.gz YQDLEGASMXDJHP-SFHVURJKSA-N 2 0 315.461 2.453 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001666347201 1081146875 /nfs/dbraw/zinc/14/68/75/1081146875.db2.gz GIGGBVXBQJTYLB-GOSISDBHSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001667028068 1081203464 /nfs/dbraw/zinc/20/34/64/1081203464.db2.gz DLQJMYBQGMCUHC-WBVHZDCISA-N 2 0 303.450 2.302 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001667117966 1081213393 /nfs/dbraw/zinc/21/33/93/1081213393.db2.gz HSIIKNJFQARWHU-AEFFLSMTSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001667413393 1081250526 /nfs/dbraw/zinc/25/05/26/1081250526.db2.gz OJTWYETYLOPGPQ-NVXWUHKLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001269552854 1081287181 /nfs/dbraw/zinc/28/71/81/1081287181.db2.gz JLCLGWJGXMQVLX-QGZVFWFLSA-N 2 0 307.482 2.073 20 30 DEEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001269699708 1081337560 /nfs/dbraw/zinc/33/75/60/1081337560.db2.gz IENPBRYBSYKXSZ-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001269737807 1081350895 /nfs/dbraw/zinc/35/08/95/1081350895.db2.gz UUCVJZWBMIOJFW-MJGOQNOKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001269743204 1081353692 /nfs/dbraw/zinc/35/36/92/1081353692.db2.gz YSVCGZZVKCGWDW-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001269871381 1081388170 /nfs/dbraw/zinc/38/81/70/1081388170.db2.gz YCDPVTRLRFRKSV-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001269997398 1081421788 /nfs/dbraw/zinc/42/17/88/1081421788.db2.gz HAGKVDCMFGGLSO-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001269997397 1081421821 /nfs/dbraw/zinc/42/18/21/1081421821.db2.gz HAGKVDCMFGGLSO-BZSNNMDCSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669911308 1081478823 /nfs/dbraw/zinc/47/88/23/1081478823.db2.gz UWFXYIPJLFUUNQ-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001671536209 1081522038 /nfs/dbraw/zinc/52/20/38/1081522038.db2.gz MGMGYUFPVUFWJO-MSOLQXFVSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001270811573 1081724014 /nfs/dbraw/zinc/72/40/14/1081724014.db2.gz DIWMDLRQCNIXIO-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001673650997 1081789442 /nfs/dbraw/zinc/78/94/42/1081789442.db2.gz QAUYBUMWFWCWND-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001674343079 1081861861 /nfs/dbraw/zinc/86/18/61/1081861861.db2.gz MKRXRDNMQVXYLA-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266373431 1082006008 /nfs/dbraw/zinc/00/60/08/1082006008.db2.gz DACMZELXZFPGRG-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001266445082 1082042134 /nfs/dbraw/zinc/04/21/34/1082042134.db2.gz KGWRFCPGSGQACM-GOSISDBHSA-N 2 0 315.461 2.422 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001266468213 1082056778 /nfs/dbraw/zinc/05/67/78/1082056778.db2.gz MDQYOJAHURUDDS-IAGOWNOFSA-N 2 0 316.449 2.074 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001271578003 1082084679 /nfs/dbraw/zinc/08/46/79/1082084679.db2.gz ZJVJNYXCBQLIGE-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766643 1082330587 /nfs/dbraw/zinc/33/05/87/1082330587.db2.gz IADUIVYDROQCTG-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001272053794 1082340599 /nfs/dbraw/zinc/34/05/99/1082340599.db2.gz OTWCVMSSHMTVAP-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482661964 1082441873 /nfs/dbraw/zinc/44/18/73/1082441873.db2.gz IEBNBCSMCSWSET-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001272092763 1082465093 /nfs/dbraw/zinc/46/50/93/1082465093.db2.gz INUKJVWLTKOTFJ-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482925223 1082564182 /nfs/dbraw/zinc/56/41/82/1082564182.db2.gz YZQLXWLRYCNDOY-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001272216874 1082677935 /nfs/dbraw/zinc/67/79/35/1082677935.db2.gz XYUSKCHZIOWHDC-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483227592 1082828749 /nfs/dbraw/zinc/82/87/49/1082828749.db2.gz LXYGYVWSBMTOBP-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001276644212 1083530139 /nfs/dbraw/zinc/53/01/39/1083530139.db2.gz ZSCSBWMHMIJREP-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001277398892 1083948465 /nfs/dbraw/zinc/94/84/65/1083948465.db2.gz UROOCUFYGBJFJN-UHFFFAOYSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001272763884 1083970966 /nfs/dbraw/zinc/97/09/66/1083970966.db2.gz XVXFSLBNFSRGPA-KZNAEPCWSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001491132938 1084103716 /nfs/dbraw/zinc/10/37/16/1084103716.db2.gz HUPKTDXZVVGWPX-SFHVURJKSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001277779761 1084145281 /nfs/dbraw/zinc/14/52/81/1084145281.db2.gz QEXVXPGLFMSYDD-MXSMSXNCSA-N 2 0 319.493 2.167 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001277850961 1084174338 /nfs/dbraw/zinc/17/43/38/1084174338.db2.gz CGHLGOHXTNHONV-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235334144 1084392893 /nfs/dbraw/zinc/39/28/93/1084392893.db2.gz HETXVTBJULRXQY-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235334142 1084393953 /nfs/dbraw/zinc/39/39/53/1084393953.db2.gz HETXVTBJULRXQY-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCCCCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235868110 1084555004 /nfs/dbraw/zinc/55/50/04/1084555004.db2.gz AGMLMMKJGBHXBH-UHFFFAOYSA-N 2 0 324.557 2.378 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001078657397 1084784800 /nfs/dbraw/zinc/78/48/00/1084784800.db2.gz WEFOSIYOVORZPW-JKSUJKDBSA-N 2 0 317.477 2.065 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001078670053 1084802507 /nfs/dbraw/zinc/80/25/07/1084802507.db2.gz DJVBNWZAFWVNHK-CVEARBPZSA-N 2 0 310.401 2.151 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001078711214 1084821810 /nfs/dbraw/zinc/82/18/10/1084821810.db2.gz QTXKLNWCHZGZKA-GJZGRUSLSA-N 2 0 317.433 2.158 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486128222 1085094336 /nfs/dbraw/zinc/09/43/36/1085094336.db2.gz IYLUHEGRQCGJEF-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)CN1CCC([C@@H](C)NC(=O)C[N@@H+](C)CCC)CC1 ZINC001486440904 1085324835 /nfs/dbraw/zinc/32/48/35/1085324835.db2.gz FTHSJBBVNAUJTG-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000963927429 1086600093 /nfs/dbraw/zinc/60/00/93/1086600093.db2.gz UORVWDLGOMKZCY-RFSHTEQGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957517605 1088369180 /nfs/dbraw/zinc/36/91/80/1088369180.db2.gz YMOJYGOGMADQQK-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701160 1090401764 /nfs/dbraw/zinc/40/17/64/1090401764.db2.gz QYOLHRFYWXNRAD-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701503 1090402798 /nfs/dbraw/zinc/40/27/98/1090402798.db2.gz GXRXJHOTTVJKBP-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001279160458 1090460286 /nfs/dbraw/zinc/46/02/86/1090460286.db2.gz DVJJHKGIYWTZQZ-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001084953534 1090542804 /nfs/dbraw/zinc/54/28/04/1090542804.db2.gz SJMWAGKOGQSGDB-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001274412533 1091230154 /nfs/dbraw/zinc/23/01/54/1091230154.db2.gz GUAUBQSKJWWEBE-DKRLNXSXSA-N 2 0 307.482 2.478 20 30 DEEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001438922457 1091434616 /nfs/dbraw/zinc/43/46/16/1091434616.db2.gz MZKMBVFTWQATMV-LSDHHAIUSA-N 2 0 313.873 2.146 20 30 DEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)CC2)CC1 ZINC001274886039 1091457797 /nfs/dbraw/zinc/45/77/97/1091457797.db2.gz YGGWNCMSTNVJHM-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP CCC[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001275108193 1091559370 /nfs/dbraw/zinc/55/93/70/1091559370.db2.gz MVDFENMYXYJQJY-CALCHBBNSA-N 2 0 300.450 2.451 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001273523723 1091901628 /nfs/dbraw/zinc/90/16/28/1091901628.db2.gz DDPLEHRWRPISRW-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948738816 1091908550 /nfs/dbraw/zinc/90/85/50/1091908550.db2.gz NUXLELKVZPUKLR-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742436 1091910740 /nfs/dbraw/zinc/91/07/40/1091910740.db2.gz JMZWACFVQGDAGU-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775635 1091928631 /nfs/dbraw/zinc/92/86/31/1091928631.db2.gz NOTPFKBURTZYLV-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001275710444 1092027255 /nfs/dbraw/zinc/02/72/55/1092027255.db2.gz SMORDIWIMIUBHH-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001446017274 1092075722 /nfs/dbraw/zinc/07/57/22/1092075722.db2.gz SJUXDCKRXJKHJB-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001006441863 1092119589 /nfs/dbraw/zinc/11/95/89/1092119589.db2.gz GEFQAPFNEMDLML-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001490372147 1093328980 /nfs/dbraw/zinc/32/89/80/1093328980.db2.gz KVPXKXJLDWTJKR-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001490410043 1093368913 /nfs/dbraw/zinc/36/89/13/1093368913.db2.gz WTTKCOHHDDWYJT-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP CCc1cc(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC001236932001 1138459611 /nfs/dbraw/zinc/45/96/11/1138459611.db2.gz KROWULPEPZHZMX-LJQANCHMSA-N 2 0 314.477 2.236 20 30 DEEDRP C[C@H]1CNCC(F)(F)[C@H]1CN1CC(Oc2ccccc2C#N)C1 ZINC001237179868 1138516832 /nfs/dbraw/zinc/51/68/32/1138516832.db2.gz LYUUHELZJBYQDC-WFASDCNBSA-N 2 0 321.371 2.112 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001318699779 1140389306 /nfs/dbraw/zinc/38/93/06/1140389306.db2.gz YRRDXFMAUUUQRW-QGPMSJSTSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318852602 1140437721 /nfs/dbraw/zinc/43/77/21/1140437721.db2.gz XONDPNMZGSPJBG-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001319635043 1140630062 /nfs/dbraw/zinc/63/00/62/1140630062.db2.gz GJGLKPKRKMGLBM-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001319693331 1140666115 /nfs/dbraw/zinc/66/61/15/1140666115.db2.gz BPQFVBIJBXWIGP-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001319751575 1140703647 /nfs/dbraw/zinc/70/36/47/1140703647.db2.gz QXNUXFQBEGWRDW-FGTMMUONSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001320047925 1140815827 /nfs/dbraw/zinc/81/58/27/1140815827.db2.gz LFMQKBYNQKVNPR-IKGGRYGDSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001246003012 1140844807 /nfs/dbraw/zinc/84/48/07/1140844807.db2.gz WPHMZYIYDMKTQW-QAPCUYQASA-N 2 0 322.424 2.020 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246047028 1140853022 /nfs/dbraw/zinc/85/30/22/1140853022.db2.gz BYIAZBDQJUEEFJ-ROUUACIJSA-N 2 0 311.514 2.205 20 30 DEEDRP C=CCOC[C@H]1CCC[C@@]12CN([C@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246772279 1141055491 /nfs/dbraw/zinc/05/54/91/1141055491.db2.gz ZYIANWFSNXNCFU-ZJPYXAASSA-N 2 0 308.466 2.201 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001278465706 1141059761 /nfs/dbraw/zinc/05/97/61/1141059761.db2.gz BQVHDXAJBDOLRW-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP CCCCCCC[C@@H](CC)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246822660 1141074230 /nfs/dbraw/zinc/07/42/30/1141074230.db2.gz SGMMLOVFSGNCAT-GOSISDBHSA-N 2 0 312.546 2.210 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001278486355 1141358933 /nfs/dbraw/zinc/35/89/33/1141358933.db2.gz GAGGXSPQNPZOGN-FGTMMUONSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001323636798 1141872488 /nfs/dbraw/zinc/87/24/88/1141872488.db2.gz GYKXEVAFAAWDDF-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP CN1CCN(c2ccc(CNCC(C)(C)C#N)cc2F)CC1 ZINC001323843976 1141892150 /nfs/dbraw/zinc/89/21/50/1141892150.db2.gz GKBDRDCTFAAAMF-UHFFFAOYSA-N 2 0 304.413 2.217 20 30 DEEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001336784772 1142570559 /nfs/dbraw/zinc/57/05/59/1142570559.db2.gz TUMGDAOWLKIJAT-CQSZACIVSA-N 2 0 301.217 2.181 20 30 DEEDRP CC(C)(C)[NH2+]C[C@@H](O)CNC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001253406054 1142869561 /nfs/dbraw/zinc/86/95/61/1142869561.db2.gz XYPLRTHNCJGZEP-LBPRGKRZSA-N 2 0 317.355 2.160 20 30 DEEDRP OC1(C[NH+]2CCC(S)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254040118 1143030951 /nfs/dbraw/zinc/03/09/51/1143030951.db2.gz OQLAYINBMZFURV-UHFFFAOYSA-N 2 0 320.502 2.408 20 30 DEEDRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001254638768 1143293195 /nfs/dbraw/zinc/29/31/95/1143293195.db2.gz QLWXXHCMKSLDDG-LPHOPBHVSA-N 2 0 312.461 2.216 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC001342318108 1143810998 /nfs/dbraw/zinc/81/09/98/1143810998.db2.gz ICUZCHTVERGASH-QGZVFWFLSA-N 2 0 309.498 2.496 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001279005848 1143896342 /nfs/dbraw/zinc/89/63/42/1143896342.db2.gz GBTBGBPXMGQULS-KGLIPLIRSA-N 2 0 321.490 2.436 20 30 DEEDRP C#C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001261179377 1144225038 /nfs/dbraw/zinc/22/50/38/1144225038.db2.gz ISRJOZIGYZWLBG-KRWDZBQOSA-N 2 0 303.425 2.325 20 30 DEEDRP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001264043236 1144447672 /nfs/dbraw/zinc/44/76/72/1144447672.db2.gz NYHLLXWOHSSUFW-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001264177798 1144495524 /nfs/dbraw/zinc/49/55/24/1144495524.db2.gz FOEJOGUJLQRLOA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC(C)(C)C1 ZINC001264196617 1144505485 /nfs/dbraw/zinc/50/54/85/1144505485.db2.gz HODTYDDFEWIOMO-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(C)C[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001265182715 1144662132 /nfs/dbraw/zinc/66/21/32/1144662132.db2.gz NDBUZMRFXPZWII-SFHVURJKSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265309935 1144689826 /nfs/dbraw/zinc/68/98/26/1144689826.db2.gz DCNRCIAHULARDD-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265626105 1144719229 /nfs/dbraw/zinc/71/92/29/1144719229.db2.gz OCGXEQNDYXOKNT-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265626102 1144719279 /nfs/dbraw/zinc/71/92/79/1144719279.db2.gz OCGXEQNDYXOKNT-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265696836 1144730024 /nfs/dbraw/zinc/73/00/24/1144730024.db2.gz KIZICMVFXGNTJG-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001265982164 1144776600 /nfs/dbraw/zinc/77/66/00/1144776600.db2.gz CTTRHVXPQGNUNM-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266069882 1144802361 /nfs/dbraw/zinc/80/23/61/1144802361.db2.gz FGWROLKZXFGTQY-UHFFFAOYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=CCCC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266156225 1144810433 /nfs/dbraw/zinc/81/04/33/1144810433.db2.gz WZKJCEGURHUOEI-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266222902 1144815939 /nfs/dbraw/zinc/81/59/39/1144815939.db2.gz GVHYIQSHZLYLRO-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001279368056 1144821461 /nfs/dbraw/zinc/82/14/61/1144821461.db2.gz GPRBVBOJPUXGGY-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001280354305 1144836382 /nfs/dbraw/zinc/83/63/82/1144836382.db2.gz MSLOHPRVEIPNMS-YJBOKZPZSA-N 2 0 313.445 2.071 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001280864498 1144860182 /nfs/dbraw/zinc/86/01/82/1144860182.db2.gz PRQTWWGVUZZRSP-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001281047148 1144870253 /nfs/dbraw/zinc/87/02/53/1144870253.db2.gz SGQBDJWAVKXGEL-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001281862182 1144916787 /nfs/dbraw/zinc/91/67/87/1144916787.db2.gz KYQDDOQHXNSCAM-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001282065916 1144947621 /nfs/dbraw/zinc/94/76/21/1144947621.db2.gz RQASYOISQPSJAX-GTPINHCMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001282959590 1145213713 /nfs/dbraw/zinc/21/37/13/1145213713.db2.gz VOFTVHOBWCIRJD-ULQDDVLXSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001283340020 1145369262 /nfs/dbraw/zinc/36/92/62/1145369262.db2.gz DPPBIXOWIFPAIK-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001283441262 1145422287 /nfs/dbraw/zinc/42/22/87/1145422287.db2.gz BGBLGPJQKOWWFZ-IAGOWNOFSA-N 2 0 307.482 2.025 20 30 DEEDRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(C#N)CCOCC2)cc1 ZINC001364665608 1145434541 /nfs/dbraw/zinc/43/45/41/1145434541.db2.gz TUYSBTUHWRKQCR-UHFFFAOYSA-N 2 0 317.433 2.037 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001492170494 1147112441 /nfs/dbraw/zinc/11/24/41/1147112441.db2.gz FTVQVHJUEZLYJK-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001317203863 1147273907 /nfs/dbraw/zinc/27/39/07/1147273907.db2.gz APIQINQMPZNLOM-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317330640 1147342585 /nfs/dbraw/zinc/34/25/85/1147342585.db2.gz MXXJZEKXHPQUIT-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001316910527 1147571605 /nfs/dbraw/zinc/57/16/05/1147571605.db2.gz AACZAUWSQLPEPT-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001317099378 1147659369 /nfs/dbraw/zinc/65/93/69/1147659369.db2.gz CBDOBWKKZXXHSL-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001317171432 1147670341 /nfs/dbraw/zinc/67/03/41/1147670341.db2.gz AVHNEQTYBRWIFP-HOTGVXAUSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317359756 1147695741 /nfs/dbraw/zinc/69/57/41/1147695741.db2.gz OVVWWUFUSHHFER-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317407847 1147702428 /nfs/dbraw/zinc/70/24/28/1147702428.db2.gz ZGPJJMQGWCTIFM-YOEHRIQHSA-N 2 0 313.461 2.259 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001317708473 1147746150 /nfs/dbraw/zinc/74/61/50/1147746150.db2.gz CJNXVCHKTXUQLS-CALCHBBNSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318273195 1147806474 /nfs/dbraw/zinc/80/64/74/1147806474.db2.gz OOWNQMCZAMAJBE-QAETUUGQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001324832813 1147851381 /nfs/dbraw/zinc/85/13/81/1147851381.db2.gz JCXYCDVREFSUNR-GOSISDBHSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001325707895 1147986968 /nfs/dbraw/zinc/98/69/68/1147986968.db2.gz GGEXSEDIVIKGCY-SFHVURJKSA-N 2 0 315.461 2.133 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC000073762064 354980204 /nfs/dbraw/zinc/98/02/04/354980204.db2.gz BEARFQYDQZPMCQ-AWEZNQCLSA-N 2 0 308.857 2.299 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423386634 283139697 /nfs/dbraw/zinc/13/96/97/283139697.db2.gz MDEHFBHGJKIMBS-IEBWSBKVSA-N 2 0 312.461 2.382 20 30 DEEDRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000315452362 356423967 /nfs/dbraw/zinc/42/39/67/356423967.db2.gz MTSGDKKEKWKXMJ-HNNXBMFYSA-N 2 0 300.450 2.235 20 30 DEEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCC(C)(C#N)CC3)C2)CC1 ZINC000590645236 357572947 /nfs/dbraw/zinc/57/29/47/357572947.db2.gz DVFVSSNYKUWCDI-UPTPFMHGSA-N 2 0 304.482 2.217 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591578407 357738050 /nfs/dbraw/zinc/73/80/50/357738050.db2.gz ZTMMXFNFCFQHGK-GOSISDBHSA-N 2 0 312.461 2.254 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662689127 540333665 /nfs/dbraw/zinc/33/36/65/540333665.db2.gz DYRDWVDQPDADDI-PKOBYXMFSA-N 2 0 315.461 2.412 20 30 DEEDRP C[NH+](CC#CC[N@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000276613770 213000568 /nfs/dbraw/zinc/00/05/68/213000568.db2.gz SVQSOZWLKVYJLY-UHFFFAOYSA-N 2 0 322.456 2.129 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000602515553 360413960 /nfs/dbraw/zinc/41/39/60/360413960.db2.gz PMETXUBKAXWCHF-QGZVFWFLSA-N 2 0 314.477 2.463 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271908099 209315536 /nfs/dbraw/zinc/31/55/36/209315536.db2.gz CRZDPTPCNWJTQY-OAHLLOKOSA-N 2 0 318.440 2.376 20 30 DEEDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000186596099 296145779 /nfs/dbraw/zinc/14/57/79/296145779.db2.gz YHGATLYJWNSNGZ-JKSUJKDBSA-N 2 0 300.450 2.235 20 30 DEEDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000563349986 292048216 /nfs/dbraw/zinc/04/82/16/292048216.db2.gz KDSBUMIAQWLQCY-UHFFFAOYSA-N 2 0 316.449 2.276 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000134119573 401899402 /nfs/dbraw/zinc/89/94/02/401899402.db2.gz XOUQHIKNTKVARS-HNNXBMFYSA-N 2 0 318.465 2.077 20 30 DEEDRP CC1CCN(C(=[NH2+])NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000122483178 402080303 /nfs/dbraw/zinc/08/03/03/402080303.db2.gz XZCFSOYSUVKPPA-UHFFFAOYSA-N 2 0 318.465 2.174 20 30 DEEDRP C=CCOc1ccc(C[NH2+][C@@H](C)CCN2CCOCC2)cc1 ZINC000124216788 402169392 /nfs/dbraw/zinc/16/93/92/402169392.db2.gz SDAJJARSDAIFDF-INIZCTEOSA-N 2 0 304.434 2.452 20 30 DEEDRP C[NH+](C)CCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286172232 403465009 /nfs/dbraw/zinc/46/50/09/403465009.db2.gz QMIJUGNNNTVYPR-UHFFFAOYSA-N 2 0 300.450 2.458 20 30 DEEDRP C=CCN1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294099140 403647785 /nfs/dbraw/zinc/64/77/85/403647785.db2.gz BUZLZKXDOGHBED-UHFFFAOYSA-N 2 0 300.450 2.290 20 30 DEEDRP C=CCOc1ccc(CNC[C@]2(COC)CCC[NH2+]2)cc1OC ZINC000414937620 404770554 /nfs/dbraw/zinc/77/05/54/404770554.db2.gz DIBOERRDXRWJSR-SFHVURJKSA-N 2 0 320.433 2.118 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000417059883 405023375 /nfs/dbraw/zinc/02/33/75/405023375.db2.gz IXWMQLVAMBWAQW-YESZJQIVSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C(C)C ZINC000436285433 405067200 /nfs/dbraw/zinc/06/72/00/405067200.db2.gz OUXPXKNUCPYHIF-ZHALLVOQSA-N 2 0 319.493 2.191 20 30 DEEDRP COc1cc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)ccc1C#N ZINC000440803212 405327198 /nfs/dbraw/zinc/32/71/98/405327198.db2.gz CBUBYWHSEKQMJJ-KRWDZBQOSA-N 2 0 317.433 2.013 20 30 DEEDRP C=CCCOCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012966 405695022 /nfs/dbraw/zinc/69/50/22/405695022.db2.gz LRJVHEHANJHQKT-SJLPKXTDSA-N 2 0 302.418 2.425 20 30 DEEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560525507 405841103 /nfs/dbraw/zinc/84/11/03/405841103.db2.gz PKAOPKWTDKPBDZ-KRWDZBQOSA-N 2 0 312.461 2.458 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(C#N)s2)CC1 ZINC000537319882 406287400 /nfs/dbraw/zinc/28/74/00/406287400.db2.gz YWVRHHSYQXZTFN-UHFFFAOYSA-N 2 0 313.430 2.379 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001423327159 1173242018 /nfs/dbraw/zinc/24/20/18/1173242018.db2.gz RXEJFPLCFRUOGV-ZIAGYGMSSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CC[C@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000651746388 425145609 /nfs/dbraw/zinc/14/56/09/425145609.db2.gz PELHMKQPQMDRSH-ULQDDVLXSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660703453 425212459 /nfs/dbraw/zinc/21/24/59/425212459.db2.gz CTTFCNMAVGKSNI-MRXNPFEDSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252775 425602163 /nfs/dbraw/zinc/60/21/63/425602163.db2.gz OOQQZZYVVGLUBE-QGZVFWFLSA-N 2 0 302.418 2.204 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCC[NH2+]1 ZINC000662663089 425706280 /nfs/dbraw/zinc/70/62/80/425706280.db2.gz LBTORVDDEFTHBF-FUHWJXTLSA-N 2 0 319.424 2.243 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000236687330 277852404 /nfs/dbraw/zinc/85/24/04/277852404.db2.gz HIMOSHODQBGTOE-IAGOWNOFSA-N 2 0 319.493 2.191 20 30 DEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000583360688 332352745 /nfs/dbraw/zinc/35/27/45/332352745.db2.gz DKMMMIKSVONKTM-LZQZEXGQSA-N 2 0 313.445 2.425 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+]CC(C)(C)CCC#N)CC2)CC1 ZINC000174325764 337140782 /nfs/dbraw/zinc/14/07/82/337140782.db2.gz VUVQKFJLLAQGMO-UHFFFAOYSA-N 3 0 306.498 2.465 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000189391950 340535044 /nfs/dbraw/zinc/53/50/44/340535044.db2.gz YHFPELLIFSDRJE-UHFFFAOYSA-N 2 0 324.513 2.400 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001330020933 1149034765 /nfs/dbraw/zinc/03/47/65/1149034765.db2.gz JUCWJGXNJRZDEZ-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001330020932 1149035064 /nfs/dbraw/zinc/03/50/64/1149035064.db2.gz JUCWJGXNJRZDEZ-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001330073457 1149045559 /nfs/dbraw/zinc/04/55/59/1149045559.db2.gz CVKQEUIVUGVFSM-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])C(C)C ZINC000417061748 500577688 /nfs/dbraw/zinc/57/76/88/500577688.db2.gz LETMOPGISFWKNZ-DLBZAZTESA-N 2 0 322.497 2.208 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000264095861 533988841 /nfs/dbraw/zinc/98/88/41/533988841.db2.gz MMARUFWMFKHMNU-ZDUSSCGKSA-N 2 0 320.437 2.305 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327450247 1148558706 /nfs/dbraw/zinc/55/87/06/1148558706.db2.gz XVRUFJNKFHJAIG-KRWDZBQOSA-N 2 0 319.493 2.243 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NCC(C)(C)c1cccs1 ZINC000262547586 526370003 /nfs/dbraw/zinc/37/00/03/526370003.db2.gz SKMOWWBTSNFKRN-ZDUSSCGKSA-N 2 0 308.495 2.285 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1cccc(CC)c1 ZINC000267846281 528031642 /nfs/dbraw/zinc/03/16/42/528031642.db2.gz JZHJWRNTRBPKFY-MRXNPFEDSA-N 2 0 306.454 2.332 20 30 DEEDRP CC[NH+](CC)CCOc1ccccc1CNC(NC1CC1)=[NH+]C ZINC000264026669 528153395 /nfs/dbraw/zinc/15/33/95/528153395.db2.gz BNJDMSPRYLHSMJ-UHFFFAOYSA-N 2 0 318.465 2.235 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCc3ccccc32)C1 ZINC000263115979 528257044 /nfs/dbraw/zinc/25/70/44/528257044.db2.gz FUNPYFONCWQERX-OAHLLOKOSA-N 2 0 300.450 2.356 20 30 DEEDRP CC[NH2+][C@H](C)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423375370 528421125 /nfs/dbraw/zinc/42/11/25/528421125.db2.gz IUKKUCGZDZPBOW-OAHLLOKOSA-N 2 0 300.450 2.110 20 30 DEEDRP CC[NH+]=C(NCc1c(C)noc1C)NC1CC[NH+](C(C)C)CC1 ZINC000114091675 528816926 /nfs/dbraw/zinc/81/69/26/528816926.db2.gz VGPKPRAKRLNMPJ-UHFFFAOYSA-N 2 0 321.469 2.219 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cccc(OC)c1 ZINC000264255647 529100631 /nfs/dbraw/zinc/10/06/31/529100631.db2.gz IDKGTNMUHKATBF-INIZCTEOSA-N 2 0 318.465 2.016 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)c1 ZINC000264067244 529176705 /nfs/dbraw/zinc/17/67/05/529176705.db2.gz BUDIBUWDZIWBIF-UHFFFAOYSA-N 2 0 317.481 2.003 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001327540263 1148581546 /nfs/dbraw/zinc/58/15/46/1148581546.db2.gz IABIVJMWSQQUQR-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001330467971 1149150417 /nfs/dbraw/zinc/15/04/17/1149150417.db2.gz OBWBAKXVAQARRF-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947311118 625446985 /nfs/dbraw/zinc/44/69/85/625446985.db2.gz YGFKSEPNIGYPNI-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000972701065 625469227 /nfs/dbraw/zinc/46/92/27/625469227.db2.gz SHKLFFROWAXICQ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001020673552 623058941 /nfs/dbraw/zinc/05/89/41/623058941.db2.gz LPHWPSLUKJTSJM-RBSFLKMASA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001020871510 623168019 /nfs/dbraw/zinc/16/80/19/623168019.db2.gz MSGIVDHAMIGPKU-WKILWMFISA-N 2 0 310.401 2.299 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020927283 623191625 /nfs/dbraw/zinc/19/16/25/623191625.db2.gz KWBCOUCJIPSCFL-KBUPBQIOSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319076 623400923 /nfs/dbraw/zinc/40/09/23/623400923.db2.gz RBKLFILCNGYYEQ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021604154 623818963 /nfs/dbraw/zinc/81/89/63/623818963.db2.gz BGIIBEKBEZRWEG-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664298 623920798 /nfs/dbraw/zinc/92/07/98/623920798.db2.gz GXNHWWHDQWLCHE-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542156 624185017 /nfs/dbraw/zinc/18/50/17/624185017.db2.gz ZLOHOIQNEQZWBY-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971683043 624504767 /nfs/dbraw/zinc/50/47/67/624504767.db2.gz SCFIMMKSOCNGDM-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023126115 625164062 /nfs/dbraw/zinc/16/40/62/625164062.db2.gz ILNVABAFSZCANE-CALCHBBNSA-N 2 0 301.434 2.175 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521058 625841452 /nfs/dbraw/zinc/84/14/52/625841452.db2.gz OJLLWWCRTLROCK-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999597825 634640790 /nfs/dbraw/zinc/64/07/90/634640790.db2.gz JHYIRSBZYRRSRB-UHFFFAOYSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608256 633178641 /nfs/dbraw/zinc/17/86/41/633178641.db2.gz XSNHEEYNXZEILR-OAGGEKHMSA-N 2 0 307.482 2.119 20 30 DEEDRP CC[NH+]1CCN(CCCC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921525682 633584394 /nfs/dbraw/zinc/58/43/94/633584394.db2.gz AEQQOLMMYHMMPA-UHFFFAOYSA-N 2 0 306.479 2.127 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997434894 633757137 /nfs/dbraw/zinc/75/71/37/633757137.db2.gz PLICYHLYWHHSFL-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997640907 633908423 /nfs/dbraw/zinc/90/84/23/633908423.db2.gz BAZNPTLCIRRYAH-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980486679 635018821 /nfs/dbraw/zinc/01/88/21/635018821.db2.gz VMJMNFDYTJJGEF-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194256 635360216 /nfs/dbraw/zinc/36/02/16/635360216.db2.gz JSJDGLRAUMTPID-CVEARBPZSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001089524 635404979 /nfs/dbraw/zinc/40/49/79/635404979.db2.gz PCDBQRHMGXBVIZ-RDJZCZTQSA-N 2 0 305.466 2.041 20 30 DEEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001230696 635432296 /nfs/dbraw/zinc/43/22/96/635432296.db2.gz WGYNSAHLFSJPLY-GOSISDBHSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000981434476 635478638 /nfs/dbraw/zinc/47/86/38/635478638.db2.gz UKEGLUREZAOVRB-DLBZAZTESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001372874 635479851 /nfs/dbraw/zinc/47/98/51/635479851.db2.gz AAXQGKGAHYHXFE-UHFFFAOYSA-N 2 0 314.433 2.086 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404612 635488230 /nfs/dbraw/zinc/48/82/30/635488230.db2.gz JKPPVJRFSMBVHG-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001001471970 635504333 /nfs/dbraw/zinc/50/43/33/635504333.db2.gz PMJOBJMEXQFMJK-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982052473 635845385 /nfs/dbraw/zinc/84/53/85/635845385.db2.gz LXEQDRYNBPFXJA-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982234983 635911118 /nfs/dbraw/zinc/91/11/18/635911118.db2.gz FYELWXJWWLQHHZ-YTQUADARSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028252128 635960118 /nfs/dbraw/zinc/96/01/18/635960118.db2.gz QWAHIEWPCJRSDC-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001003604907 636005156 /nfs/dbraw/zinc/00/51/56/636005156.db2.gz BMVLXFCXCMMAFI-HNNXBMFYSA-N 2 0 316.449 2.376 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3csc(C#N)c3)c2)CC1 ZINC000922306031 636074677 /nfs/dbraw/zinc/07/46/77/636074677.db2.gz FMNJVUWRLPWZPM-UHFFFAOYSA-N 2 0 313.430 2.379 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946616120 636465437 /nfs/dbraw/zinc/46/54/37/636465437.db2.gz WJMGEAVXXKOVTM-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644542 636525184 /nfs/dbraw/zinc/52/51/84/636525184.db2.gz GSUOPYJXUOXNNA-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)CC[C@@H]2C1 ZINC000946833917 636867007 /nfs/dbraw/zinc/86/70/07/636867007.db2.gz OEXZCYSKJLLKJE-IYBDPMFKSA-N 2 0 316.449 2.089 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871158 636920732 /nfs/dbraw/zinc/92/07/32/636920732.db2.gz LIZUTZINIOCHMN-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946856846 636955236 /nfs/dbraw/zinc/95/52/36/636955236.db2.gz QXIGXIDBYJAFFT-OKZBNKHCSA-N 2 0 319.493 2.075 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923388916 637156132 /nfs/dbraw/zinc/15/61/32/637156132.db2.gz PNWTZSGSPJDNKR-OALUTQOASA-N 2 0 313.445 2.303 20 30 DEEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC000923497349 637214348 /nfs/dbraw/zinc/21/43/48/637214348.db2.gz DRNYAVFNNZEIRO-CZUORRHYSA-N 2 0 303.450 2.390 20 30 DEEDRP Cc1cc(F)c(C#N)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000894871644 637277515 /nfs/dbraw/zinc/27/75/15/637277515.db2.gz PELGICPHEWASCV-HUUCEWRRSA-N 2 0 318.440 2.181 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000985465835 639446609 /nfs/dbraw/zinc/44/66/09/639446609.db2.gz YHPWTGFFKGFZRI-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000985682981 639582631 /nfs/dbraw/zinc/58/26/31/639582631.db2.gz PBDZRNURBGRRQS-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000989737549 641214980 /nfs/dbraw/zinc/21/49/80/641214980.db2.gz SHKFBSDRGRRNFQ-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990683082 641600820 /nfs/dbraw/zinc/60/08/20/641600820.db2.gz IVEQVLQAJWDPAL-ZHALLVOQSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759595 641946224 /nfs/dbraw/zinc/94/62/24/641946224.db2.gz DQHUJRKLTSUDTL-LHHMISFZSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990785845 642070348 /nfs/dbraw/zinc/07/03/48/642070348.db2.gz AAGRTIVDIBDWMI-YWTNHNAXSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CNC(NC[C@H]1CCC[N@H+]1CCOC)=[NH+]C(C)(C)C ZINC000912499566 646087484 /nfs/dbraw/zinc/08/74/84/646087484.db2.gz RMYDCOOETUFUAW-OAHLLOKOSA-N 2 0 310.486 2.007 20 30 DEEDRP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000151707743 646999412 /nfs/dbraw/zinc/99/94/12/646999412.db2.gz UHOKVKLFEXUMMQ-RCCFBDPRSA-N 2 0 316.493 2.477 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]21 ZINC000992668834 647182696 /nfs/dbraw/zinc/18/26/96/647182696.db2.gz PNPFQYIHVBRWJM-BZUAXINKSA-N 2 0 316.449 2.135 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000992759323 647228550 /nfs/dbraw/zinc/22/85/50/647228550.db2.gz SBARMXWIESGGJF-YESZJQIVSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC000992930732 647322799 /nfs/dbraw/zinc/32/27/99/647322799.db2.gz HOKKTALIWWSFCU-FGTMMUONSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993922604 647767378 /nfs/dbraw/zinc/76/73/78/647767378.db2.gz BWQOOIBWXDEBGW-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C(C)(C)C1 ZINC000940813655 648951072 /nfs/dbraw/zinc/95/10/72/648951072.db2.gz YXMOYPKGKKZVIF-IIAWOOMASA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026836 648988160 /nfs/dbraw/zinc/98/81/60/648988160.db2.gz OPJFPMUAHBLCSB-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941162931 649011521 /nfs/dbraw/zinc/01/15/21/649011521.db2.gz CEBVAZOHGODEAK-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000941169534 649014308 /nfs/dbraw/zinc/01/43/08/649014308.db2.gz OJWIYPHLGDEUKZ-MRXNPFEDSA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215921 649021970 /nfs/dbraw/zinc/02/19/70/649021970.db2.gz BKHDNDJTZWFYAI-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172376 649174145 /nfs/dbraw/zinc/17/41/45/649174145.db2.gz JSBZRMCHUOWKBT-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203908 649183003 /nfs/dbraw/zinc/18/30/03/649183003.db2.gz LIYNYXLTKJWPOA-SUMWQHHRSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824644 649290693 /nfs/dbraw/zinc/29/06/93/649290693.db2.gz YGZZXEMIJROKGN-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[C@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@@H](CC#C)C2)C1 ZINC000829804314 649358838 /nfs/dbraw/zinc/35/88/38/649358838.db2.gz GOQXAGODUIEUFT-BGYRXZFFSA-N 2 0 316.489 2.474 20 30 DEEDRP CCCNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304761279 685259695 /nfs/dbraw/zinc/25/96/95/685259695.db2.gz UEUKVLOSWCCJIQ-HNNXBMFYSA-N 2 0 318.465 2.201 20 30 DEEDRP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2C1 ZINC001054259198 693904332 /nfs/dbraw/zinc/90/43/32/693904332.db2.gz PGCMUQRTPMWUBR-GOSISDBHSA-N 2 0 313.445 2.289 20 30 DEEDRP CC(C)[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCC1 ZINC000303788487 685235761 /nfs/dbraw/zinc/23/57/61/685235761.db2.gz UIFSMMWPRVYSQD-KRWDZBQOSA-N 2 0 302.466 2.254 20 30 DEEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000303871012 685236179 /nfs/dbraw/zinc/23/61/79/685236179.db2.gz FOYYYELWTLEJSP-SJORKVTESA-N 3 0 323.529 2.030 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796653 687425182 /nfs/dbraw/zinc/42/51/82/687425182.db2.gz ZGCDGJGOBLLKTD-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001015978280 687488770 /nfs/dbraw/zinc/48/87/70/687488770.db2.gz YNVNLJIMDJYUJC-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016790870 687703987 /nfs/dbraw/zinc/70/39/87/687703987.db2.gz QOTFFFXPGKWCBP-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016828197 687711551 /nfs/dbraw/zinc/71/15/51/687711551.db2.gz DLOTVFPLKGBYDT-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016830422 687712027 /nfs/dbraw/zinc/71/20/27/687712027.db2.gz SCNNKNKXECMQNS-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001019518635 688370450 /nfs/dbraw/zinc/37/04/50/688370450.db2.gz WZDUGVCWBSEYOU-INIZCTEOSA-N 2 0 321.852 2.305 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043139 689048055 /nfs/dbraw/zinc/04/80/55/689048055.db2.gz VWTMJTXTFHOVRD-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001032581303 689193497 /nfs/dbraw/zinc/19/34/97/689193497.db2.gz PTKGPXAPFRJGFB-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144472 689403897 /nfs/dbraw/zinc/40/38/97/689403897.db2.gz XWDQQTJJYYEHHB-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033830432 689630142 /nfs/dbraw/zinc/63/01/42/689630142.db2.gz IEKJDOCQILSWLN-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855298 689640608 /nfs/dbraw/zinc/64/06/08/689640608.db2.gz JHMGWUHIDYUBFW-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033934979 689666480 /nfs/dbraw/zinc/66/64/80/689666480.db2.gz OQBIHTQCRQAOPE-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251010 689781929 /nfs/dbraw/zinc/78/19/29/689781929.db2.gz USHLZYIWFWBMDC-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250744 689782190 /nfs/dbraw/zinc/78/21/90/689782190.db2.gz SDVQXAKMFSRRKI-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251015 689782436 /nfs/dbraw/zinc/78/24/36/689782436.db2.gz USHLZYIWFWBMDC-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260305 689785127 /nfs/dbraw/zinc/78/51/27/689785127.db2.gz IDWWECPXOMWYLL-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290307 689796979 /nfs/dbraw/zinc/79/69/79/689796979.db2.gz IBGPNXNZCSKAAM-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331942 689812442 /nfs/dbraw/zinc/81/24/42/689812442.db2.gz WBVSBYZHJGVPKX-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364862 689824052 /nfs/dbraw/zinc/82/40/52/689824052.db2.gz WXFWBSFIOJRNGA-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709382 689911521 /nfs/dbraw/zinc/91/15/21/689911521.db2.gz QIZAQZVKAACQHG-CVEARBPZSA-N 2 0 321.852 2.410 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000876711934 689912421 /nfs/dbraw/zinc/91/24/21/689912421.db2.gz JIPIXHCVVUEZFQ-OAHLLOKOSA-N 2 0 309.841 2.095 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000876742215 689923705 /nfs/dbraw/zinc/92/37/05/689923705.db2.gz ZVZLYJDSXWRDOK-XJKSGUPXSA-N 2 0 321.852 2.019 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035811774 690183100 /nfs/dbraw/zinc/18/31/00/690183100.db2.gz JSHWCCYVXMCODR-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP COCC[N@@H+](Cc1cc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000877665339 690183354 /nfs/dbraw/zinc/18/33/54/690183354.db2.gz RMQXOXORTUOLCB-UHFFFAOYSA-N 2 0 307.463 2.410 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814914 690183818 /nfs/dbraw/zinc/18/38/18/690183818.db2.gz VBOJIWDIBSJLCH-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814916 690183919 /nfs/dbraw/zinc/18/39/19/690183919.db2.gz VBOJIWDIBSJLCH-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC1CCCCC1 ZINC000878097464 690308387 /nfs/dbraw/zinc/30/83/87/690308387.db2.gz CYJXVWJNTALLOY-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039049240 691003292 /nfs/dbraw/zinc/00/32/92/691003292.db2.gz JWGOWNIZNBBDOR-MRXNPFEDSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039373350 691091254 /nfs/dbraw/zinc/09/12/54/691091254.db2.gz PIWMSNYMWKLEMR-IKGGRYGDSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001039437084 691105998 /nfs/dbraw/zinc/10/59/98/691105998.db2.gz AAUHTYRUKLWDIT-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040114372 691199305 /nfs/dbraw/zinc/19/93/05/691199305.db2.gz KGXDNCQGYBWPPK-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001040729644 691282948 /nfs/dbraw/zinc/28/29/48/691282948.db2.gz KKTLXPGGLHZBGM-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042157593 691524969 /nfs/dbraw/zinc/52/49/69/691524969.db2.gz SIRZHXMQWKHEJL-RHSMWYFYSA-N 2 0 310.401 2.057 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942811 692058835 /nfs/dbraw/zinc/05/88/35/692058835.db2.gz AFLUHOYTQRHABV-HKUYNNGSSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979913 692067702 /nfs/dbraw/zinc/06/77/02/692067702.db2.gz MPPVSYBALSYGGA-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046740545 692280619 /nfs/dbraw/zinc/28/06/19/692280619.db2.gz ALYSZJZODPOMQH-SFHVURJKSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263830 692404427 /nfs/dbraw/zinc/40/44/27/692404427.db2.gz DEXCLEOTFMSEIR-QZTJIDSGSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582495 692652844 /nfs/dbraw/zinc/65/28/44/692652844.db2.gz PCLZABPSMTZLRE-BJWYYQGGSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048862502 692712110 /nfs/dbraw/zinc/71/21/10/692712110.db2.gz WRMHAQUYVBRMBL-KSZLIROESA-N 2 0 319.493 2.216 20 30 DEEDRP 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 692779373 /nfs/dbraw/zinc/77/93/73/692779373.db2.gz BLSGBLNJPSUBLM-WNRNVDISSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049464586 692890745 /nfs/dbraw/zinc/89/07/45/692890745.db2.gz NWGROOJXYNQLTB-BRWVUGGUSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001049509410 692904315 /nfs/dbraw/zinc/90/43/15/692904315.db2.gz UCBQDZZLQGKOIY-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001049509408 692904898 /nfs/dbraw/zinc/90/48/98/692904898.db2.gz UCBQDZZLQGKOIY-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566933 692923636 /nfs/dbraw/zinc/92/36/36/692923636.db2.gz HFBNGPJGLFLYLH-IRXDYDNUSA-N 2 0 317.477 2.256 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049724806 692977393 /nfs/dbraw/zinc/97/73/93/692977393.db2.gz UCCDVLMJLVWWSU-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049760993 692991146 /nfs/dbraw/zinc/99/11/46/692991146.db2.gz FAESSFWZRITWIP-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001050694827 693233722 /nfs/dbraw/zinc/23/37/22/693233722.db2.gz LKBMCQNWICPINA-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052485727 693545832 /nfs/dbraw/zinc/54/58/32/693545832.db2.gz CFXVCFAZJKIULY-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052676477 693593360 /nfs/dbraw/zinc/59/33/60/693593360.db2.gz HCSCCXZJENNXFX-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052712289 693600615 /nfs/dbraw/zinc/60/06/15/693600615.db2.gz GRJGUGLEVOOJQS-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052712001 693601104 /nfs/dbraw/zinc/60/11/04/693601104.db2.gz CMGDDFGBVSDTFZ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052712292 693601316 /nfs/dbraw/zinc/60/13/16/693601316.db2.gz GRJGUGLEVOOJQS-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332221221 1149837618 /nfs/dbraw/zinc/83/76/18/1149837618.db2.gz WZZYUCNBWYAKJT-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])CC1 ZINC001336005316 1150588272 /nfs/dbraw/zinc/58/82/72/1150588272.db2.gz YRJPYGWZFZWNAN-RDJZCZTQSA-N 2 0 322.497 2.186 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001394032771 1158181359 /nfs/dbraw/zinc/18/13/59/1158181359.db2.gz HCIGQZCKGAJFPR-AWEZNQCLSA-N 2 0 317.905 2.399 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001375757976 1158862780 /nfs/dbraw/zinc/86/27/80/1158862780.db2.gz AGKPMEALBGTPHC-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001377524528 1160488996 /nfs/dbraw/zinc/48/89/96/1160488996.db2.gz GNUIYKUCSMOLST-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001400075948 1161647576 /nfs/dbraw/zinc/64/75/76/1161647576.db2.gz BEYWWLUNMRTHTP-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001404339391 1163593398 /nfs/dbraw/zinc/59/33/98/1163593398.db2.gz SEXNSHOROMYOJS-ZDUSSCGKSA-N 2 0 324.856 2.312 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001417814043 1167230173 /nfs/dbraw/zinc/23/01/73/1167230173.db2.gz NDGZASGCLKXYSP-HIFRSBDPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001421118501 1171506947 /nfs/dbraw/zinc/50/69/47/1171506947.db2.gz QNLIWGXXQBBAIP-AWEZNQCLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001422551600 1172700232 /nfs/dbraw/zinc/70/02/32/1172700232.db2.gz YLFUCEOSZVDEPT-DOMZBBRYSA-N 2 0 319.852 2.046 20 30 DEEDRP C=C(Cl)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001423329542 1173248702 /nfs/dbraw/zinc/24/87/02/1173248702.db2.gz VWRHBXYYULNMIQ-CABCVRRESA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001424856469 1173992651 /nfs/dbraw/zinc/99/26/51/1173992651.db2.gz MULYFCUFTDHBKC-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001437836859 1180022986 /nfs/dbraw/zinc/02/29/86/1180022986.db2.gz AUWCWYJSOYZLBS-DZGCQCFKSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072850103 790272921 /nfs/dbraw/zinc/27/29/21/790272921.db2.gz RAIKXTLBYMWIFG-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001332804066 1149894223 /nfs/dbraw/zinc/89/42/23/1149894223.db2.gz ANWFPJCBYXHVTC-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282182 782612777 /nfs/dbraw/zinc/61/27/77/782612777.db2.gz XJVZOCKMJUHNOY-YUELXQCFSA-N 2 0 315.889 2.009 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](CC)[NH+](C)C)c(F)c1 ZINC001333479529 1150055087 /nfs/dbraw/zinc/05/50/87/1150055087.db2.gz KTJBRBFDWPZNLJ-INIZCTEOSA-N 2 0 307.413 2.058 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167096134 776659206 /nfs/dbraw/zinc/65/92/06/776659206.db2.gz TVTIAVYYIDWSFW-MSOLQXFVSA-N 2 0 315.461 2.004 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167224253 776779922 /nfs/dbraw/zinc/77/99/22/776779922.db2.gz IBCBWTXPGVHPMB-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237088 776789743 /nfs/dbraw/zinc/78/97/43/776789743.db2.gz UIDFSBNITADCOO-HOTGVXAUSA-N 2 0 307.482 2.026 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167438528 777046783 /nfs/dbraw/zinc/04/67/83/777046783.db2.gz XEXYIITYRVODLX-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP CCC#C[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001167469575 777118799 /nfs/dbraw/zinc/11/87/99/777118799.db2.gz ZRFASEZPGROCNC-MRXNPFEDSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087318430 777782344 /nfs/dbraw/zinc/78/23/44/777782344.db2.gz XSZRMDHDVBGTAO-BPQIPLTHSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171117416 790680771 /nfs/dbraw/zinc/68/07/71/790680771.db2.gz AKRSVLWDANQUJJ-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157949 779736546 /nfs/dbraw/zinc/73/65/46/779736546.db2.gz PMNQLYIZSQSIRI-MSOLQXFVSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001088316582 779940471 /nfs/dbraw/zinc/94/04/71/779940471.db2.gz DLJQLPQHGCGKPH-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001088340977 779993663 /nfs/dbraw/zinc/99/36/63/779993663.db2.gz UAHZRMPSEMIAAR-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972782 780946684 /nfs/dbraw/zinc/94/66/84/780946684.db2.gz JJENARMOMQMCIU-MAUKXSAKSA-N 2 0 324.428 2.365 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324694 781218481 /nfs/dbraw/zinc/21/84/81/781218481.db2.gz YIAFBHLQFDFPKV-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001212335802 783466541 /nfs/dbraw/zinc/46/65/41/783466541.db2.gz KRVBNSPMECHWDC-HNNXBMFYSA-N 2 0 303.341 2.050 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085224489 783590633 /nfs/dbraw/zinc/59/06/33/783590633.db2.gz IBJYDFPTIQTTAU-GVDBMIGSSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001085295593 783625853 /nfs/dbraw/zinc/62/58/53/783625853.db2.gz OQDWXDVPHRNBPE-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707119 784097332 /nfs/dbraw/zinc/09/73/32/784097332.db2.gz CPCWOWFIFQNWOO-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855962 784151291 /nfs/dbraw/zinc/15/12/91/784151291.db2.gz NPUQJYAPALYDOE-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085987699 784284748 /nfs/dbraw/zinc/28/47/48/784284748.db2.gz JJQDRIWDBPMIKM-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086087243 784397022 /nfs/dbraw/zinc/39/70/22/784397022.db2.gz UDSGGHJMOVGMJA-ZACQAIPSSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460567 784399215 /nfs/dbraw/zinc/39/92/15/784399215.db2.gz WRPZOTAYGZZRLQ-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882157 784635146 /nfs/dbraw/zinc/63/51/46/784635146.db2.gz IPIJGWQFCHTNTO-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882038 784636218 /nfs/dbraw/zinc/63/62/18/784636218.db2.gz FWNWMNIRZFYUHC-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968954295 784667767 /nfs/dbraw/zinc/66/77/67/784667767.db2.gz ATRJWGAFBMLWQM-QGZVFWFLSA-N 2 0 324.428 2.332 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968954500 784669817 /nfs/dbraw/zinc/66/98/17/784669817.db2.gz DVMFVIBMFKOGQI-QGZVFWFLSA-N 2 0 324.428 2.332 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086454451 784746521 /nfs/dbraw/zinc/74/65/21/784746521.db2.gz MQQCUKNDQFTLBW-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008052743 785091451 /nfs/dbraw/zinc/09/14/51/785091451.db2.gz OPCKOOMASSXALS-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008549783 785237601 /nfs/dbraw/zinc/23/76/01/785237601.db2.gz GMTXSTZGTHMZHB-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749483 785524314 /nfs/dbraw/zinc/52/43/14/785524314.db2.gz BWHYJXSVRKQOIQ-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108794074 785540510 /nfs/dbraw/zinc/54/05/10/785540510.db2.gz NRGWHBJMQRRCDE-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016597 786128572 /nfs/dbraw/zinc/12/85/72/786128572.db2.gz WDAPJCQEGMBXEA-NCOADZHNSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548760 786157278 /nfs/dbraw/zinc/15/72/78/786157278.db2.gz QDBUXJJBIGZBGJ-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441835 786597179 /nfs/dbraw/zinc/59/71/79/786597179.db2.gz WVTRBPRREZMDST-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429497 787213266 /nfs/dbraw/zinc/21/32/66/787213266.db2.gz HEYJEWUGARHPBL-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107153 787934137 /nfs/dbraw/zinc/93/41/37/787934137.db2.gz XZNPWFDJCBRJDF-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C2 ZINC001097317949 788058302 /nfs/dbraw/zinc/05/83/02/788058302.db2.gz JERXJSIMERMRPJ-OAGGEKHMSA-N 2 0 316.449 2.224 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133084744 788277016 /nfs/dbraw/zinc/27/70/16/788277016.db2.gz XBBHBPPTCMBXFU-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121763 788287573 /nfs/dbraw/zinc/28/75/73/788287573.db2.gz KZCCXBPCCGAPPL-SJORKVTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097972378 788302526 /nfs/dbraw/zinc/30/25/26/788302526.db2.gz WBFVLHWZAHVLIZ-VQHPVUNQSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345578 788375748 /nfs/dbraw/zinc/37/57/48/788375748.db2.gz DVXOUZGFKLHHFR-DZGCQCFKSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345363 788376689 /nfs/dbraw/zinc/37/66/89/788376689.db2.gz BDLKUNZLCHVDLB-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170789937 789188799 /nfs/dbraw/zinc/18/87/99/789188799.db2.gz RZJFVONNKZCBIE-RYQLBKOJSA-N 2 0 301.434 2.002 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077231 789189755 /nfs/dbraw/zinc/18/97/55/789189755.db2.gz MOBHMHMNEUYDNH-JKSUJKDBSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767508 789480763 /nfs/dbraw/zinc/48/07/63/789480763.db2.gz DUOUCMZNNXKBQJ-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974655 789586092 /nfs/dbraw/zinc/58/60/92/789586092.db2.gz SNAVTDOIVOYWFW-KBPBESRZSA-N 2 0 303.878 2.344 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071628174 789825852 /nfs/dbraw/zinc/82/58/52/789825852.db2.gz NWZAALUJDZITPI-HOCLYGCPSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148285463 791729654 /nfs/dbraw/zinc/72/96/54/791729654.db2.gz SNMFTSDAARGLIH-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148547894 791769309 /nfs/dbraw/zinc/76/93/09/791769309.db2.gz HYJBBNXIRQGEFC-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900216 791814531 /nfs/dbraw/zinc/81/45/31/791814531.db2.gz WCWZYHMAZFLBJK-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943343 791857535 /nfs/dbraw/zinc/85/75/35/791857535.db2.gz RKWIXVFCUGLVDS-IRXDYDNUSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086929052 791859302 /nfs/dbraw/zinc/85/93/02/791859302.db2.gz VMPAUVBJRWONIO-IAGOWNOFSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3ccnc3)C2)CC1 ZINC001086959609 791864864 /nfs/dbraw/zinc/86/48/64/791864864.db2.gz LKLPKBDVKPXZPJ-INIZCTEOSA-N 2 0 316.449 2.162 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091788338 791883500 /nfs/dbraw/zinc/88/35/00/791883500.db2.gz WXKPHSFLGFOECH-AOIWGVFYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092603042 792082401 /nfs/dbraw/zinc/08/24/01/792082401.db2.gz RYMJSXZNQFBGFG-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467541 792119726 /nfs/dbraw/zinc/11/97/26/792119726.db2.gz NMTMKEPICSEOCU-WCXIOVBPSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056888 792221575 /nfs/dbraw/zinc/22/15/75/792221575.db2.gz UDQZOMMLMILZGZ-CRAIPNDOSA-N 2 0 315.461 2.232 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093225279 792294740 /nfs/dbraw/zinc/29/47/40/792294740.db2.gz JZNNCJBQGMJNIA-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149601 792619036 /nfs/dbraw/zinc/61/90/36/792619036.db2.gz QXOGPDHRGOJZGY-IKGGRYGDSA-N 2 0 305.466 2.160 20 30 DEEDRP C[C@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171739281 793206022 /nfs/dbraw/zinc/20/60/22/793206022.db2.gz BIKUUQOOSFGABQ-FUHWJXTLSA-N 2 0 312.461 2.227 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172510316 793440722 /nfs/dbraw/zinc/44/07/22/793440722.db2.gz ZUMOPSATKRNQPL-GOSISDBHSA-N 2 0 304.482 2.360 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357963 793585139 /nfs/dbraw/zinc/58/51/39/793585139.db2.gz PNTPKLPDNJEAQL-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599039 793668923 /nfs/dbraw/zinc/66/89/23/793668923.db2.gz MJUOPGCKUNWXNO-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)C1CCC(CC#N)CC1 ZINC001173335697 793682186 /nfs/dbraw/zinc/68/21/86/793682186.db2.gz VRMSQUMQCGGEQM-UHFFFAOYSA-N 2 0 309.454 2.276 20 30 DEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C1CCC(C)(C#N)CC1 ZINC001173595117 793774342 /nfs/dbraw/zinc/77/43/42/793774342.db2.gz SHKGIPOEFVZZRH-JDEYZFBPSA-N 2 0 304.482 2.169 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103701 793942043 /nfs/dbraw/zinc/94/20/43/793942043.db2.gz VDKGZFVTRHIEBI-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001103755403 794213836 /nfs/dbraw/zinc/21/38/36/794213836.db2.gz GBYXBHQDITWZKJ-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001175747464 794277529 /nfs/dbraw/zinc/27/75/29/794277529.db2.gz PIWVCRVFDUVPGS-IAGOWNOFSA-N 2 0 309.498 2.251 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001175747466 794277563 /nfs/dbraw/zinc/27/75/63/794277563.db2.gz PIWVCRVFDUVPGS-SJORKVTESA-N 2 0 309.498 2.251 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176193116 794371734 /nfs/dbraw/zinc/37/17/34/794371734.db2.gz SFZLHKBINKEANO-OAHLLOKOSA-N 2 0 316.449 2.049 20 30 DEEDRP CNC(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)=[NH+]C ZINC000693764671 794518450 /nfs/dbraw/zinc/51/84/50/794518450.db2.gz CZFIOSLFWSWJIX-INIZCTEOSA-N 2 0 300.450 2.084 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCCCC)CC1 ZINC001176926650 794530102 /nfs/dbraw/zinc/53/01/02/794530102.db2.gz RKUNIWMNFIZRNJ-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544834 794815286 /nfs/dbraw/zinc/81/52/86/794815286.db2.gz DHMFMYILANHEES-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596380 794833753 /nfs/dbraw/zinc/83/37/53/794833753.db2.gz FCNUYWFYKWSTAF-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661867 794866635 /nfs/dbraw/zinc/86/66/35/794866635.db2.gz SKQBPXMHUWTDJN-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730910 794899069 /nfs/dbraw/zinc/89/90/69/794899069.db2.gz ULGNRRGXNRKSJF-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178811386 795002906 /nfs/dbraw/zinc/00/29/06/795002906.db2.gz UEARESFVMZLCBD-ROUUACIJSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178815368 795013544 /nfs/dbraw/zinc/01/35/44/795013544.db2.gz ATBSFQLUFQEQGS-CQSZACIVSA-N 2 0 303.878 2.345 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947193 795036836 /nfs/dbraw/zinc/03/68/36/795036836.db2.gz JGKULOCOEXHCBW-UHFFFAOYSA-N 2 0 312.417 2.237 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179134877 795066848 /nfs/dbraw/zinc/06/68/48/795066848.db2.gz UMAJXYVLWZCWSM-QGZVFWFLSA-N 2 0 307.482 2.313 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179133822 795066997 /nfs/dbraw/zinc/06/69/97/795066997.db2.gz BLRLMUYYCTVLLB-GOSISDBHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179145858 795068853 /nfs/dbraw/zinc/06/88/53/795068853.db2.gz BKXDGCIQFXGXTA-YOEHRIQHSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001179564694 795131540 /nfs/dbraw/zinc/13/15/40/795131540.db2.gz IHSNAZFUURGNBQ-KRWDZBQOSA-N 2 0 309.498 2.396 20 30 DEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179586434 795137670 /nfs/dbraw/zinc/13/76/70/795137670.db2.gz OQAWXXYEYJQFRU-DLBZAZTESA-N 2 0 309.498 2.417 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179587373 795138967 /nfs/dbraw/zinc/13/89/67/795138967.db2.gz ZWTONARKHCMFRM-ZFWWWQNUSA-N 2 0 315.889 2.203 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788394 795176722 /nfs/dbraw/zinc/17/67/22/795176722.db2.gz YJGUWXWNMZKIHS-ROUUACIJSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179988217 795214507 /nfs/dbraw/zinc/21/45/07/795214507.db2.gz CZARZDFQDWLTRQ-UHFFFAOYSA-N 2 0 303.878 2.347 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138747 795240001 /nfs/dbraw/zinc/24/00/01/795240001.db2.gz NKJVGTRCTGYHIN-BBWFWOEESA-N 2 0 309.498 2.488 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccccc1C[NH+](C)C ZINC001180365897 795291659 /nfs/dbraw/zinc/29/16/59/795291659.db2.gz NRYGEAPTNXKGSR-UHFFFAOYSA-N 2 0 315.461 2.261 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440144 795459311 /nfs/dbraw/zinc/45/93/11/795459311.db2.gz MAOZPJGZXGMMCK-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736188 795536425 /nfs/dbraw/zinc/53/64/25/795536425.db2.gz JGYDWTNJECQWPL-CRAIPNDOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001182018715 795595560 /nfs/dbraw/zinc/59/55/60/795595560.db2.gz OONGABVXWPPNEF-DNVCBOLYSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121260886 795609259 /nfs/dbraw/zinc/60/92/59/795609259.db2.gz KZFYLQYCTFYZPE-APUKJBRXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294542 795613115 /nfs/dbraw/zinc/61/31/15/795613115.db2.gz CAMPORBNOFGBPD-HVEGKCCWSA-N 2 0 305.466 2.064 20 30 DEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761428 795683903 /nfs/dbraw/zinc/68/39/03/795683903.db2.gz LORAISPJEZFEST-RFSHTEQGSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001182978707 795792270 /nfs/dbraw/zinc/79/22/70/795792270.db2.gz WRKUHQQVKRYQSW-IEBWSBKVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576547 795925905 /nfs/dbraw/zinc/92/59/05/795925905.db2.gz FXIQACKLGOWPDD-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184736791 796118220 /nfs/dbraw/zinc/11/82/20/796118220.db2.gz WYULBFUFFOKAFR-GOEBONIOSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185071941 796183752 /nfs/dbraw/zinc/18/37/52/796183752.db2.gz BYMULWDETVQSGJ-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171768 796202116 /nfs/dbraw/zinc/20/21/16/796202116.db2.gz XYXPPFSJBOANTN-DLBZAZTESA-N 2 0 321.509 2.062 20 30 DEEDRP Cc1nccn1-c1ccc(C[NH+]2CCN(CCC#N)CC2)cc1 ZINC001138547700 796233306 /nfs/dbraw/zinc/23/33/06/796233306.db2.gz QWGNOWHPLVQYIC-UHFFFAOYSA-N 2 0 309.417 2.212 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185359973 796238818 /nfs/dbraw/zinc/23/88/18/796238818.db2.gz MTETYYXCFIZBQU-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931814 796742592 /nfs/dbraw/zinc/74/25/92/796742592.db2.gz KFQLRNYCHPGCLY-XLAORIBOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646139 797047406 /nfs/dbraw/zinc/04/74/06/797047406.db2.gz XWRBNEPWLXAMIV-HZPDHXFCSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153400617 797335359 /nfs/dbraw/zinc/33/53/59/797335359.db2.gz QPEMNAFVYQNLJR-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001192293295 797356030 /nfs/dbraw/zinc/35/60/30/797356030.db2.gz HMHOGTQXOUWBBZ-HUUCEWRRSA-N 2 0 316.449 2.329 20 30 DEEDRP N#Cc1c2c(cnc1N1C[C@@H]([NH3+])Cc3ccccc31)C[NH2+]CCC2 ZINC001155298697 797728668 /nfs/dbraw/zinc/72/86/68/797728668.db2.gz VYCBHFVLWYHHHR-HNNXBMFYSA-N 2 0 319.412 2.011 20 30 DEEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001156307065 797971078 /nfs/dbraw/zinc/97/10/78/797971078.db2.gz ZKYIQHQZYSSDON-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CCC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641951 798081856 /nfs/dbraw/zinc/08/18/56/798081856.db2.gz VDNRHZYLKRLRHR-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCCCC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098132 798280072 /nfs/dbraw/zinc/28/00/72/798280072.db2.gz ORWKWLIQLNWFGU-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198251008 798304815 /nfs/dbraw/zinc/30/48/15/798304815.db2.gz ACXYNMXPVMYORI-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157951357 798311942 /nfs/dbraw/zinc/31/19/42/798311942.db2.gz WJPWVGVSQXBSQI-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158418871 798404441 /nfs/dbraw/zinc/40/44/41/798404441.db2.gz BYXYBWQWDOJEFU-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158559646 798428737 /nfs/dbraw/zinc/42/87/37/798428737.db2.gz JOKWNGIRZSFHCG-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCCCCC ZINC001158631416 798440576 /nfs/dbraw/zinc/44/05/76/798440576.db2.gz PBSVFHRGGXUEGY-GOSISDBHSA-N 2 0 321.509 2.445 20 30 DEEDRP N#Cc1cc2nc(-n3cc(CC[NH3+])c4c[nH+]ccc43)ccc2[nH]1 ZINC001160950454 798769369 /nfs/dbraw/zinc/76/93/69/798769369.db2.gz NEMDYPVAKAGKJC-UHFFFAOYSA-N 2 0 302.341 2.275 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008473 798778476 /nfs/dbraw/zinc/77/84/76/798778476.db2.gz OKTGLSRFSCBXFS-RDJZCZTQSA-N 2 0 305.466 2.041 20 30 DEEDRP COc1cc(C#N)ccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201666419 798787464 /nfs/dbraw/zinc/78/74/64/798787464.db2.gz RDXCCJCXXKZYED-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161238876 798814945 /nfs/dbraw/zinc/81/49/45/798814945.db2.gz BJUDBMJWBYQWBJ-KRWDZBQOSA-N 2 0 307.482 2.431 20 30 DEEDRP C=C1C[NH2+][C@](C)(C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001161429207 798854783 /nfs/dbraw/zinc/85/47/83/798854783.db2.gz QWQDBVBZKRHXGJ-IBGZPJMESA-N 2 0 313.445 2.075 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161699553 798915000 /nfs/dbraw/zinc/91/50/00/798915000.db2.gz UGNIEHAAOGOFFJ-QZTJIDSGSA-N 2 0 319.493 2.431 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924471 798968651 /nfs/dbraw/zinc/96/86/51/798968651.db2.gz DNEGJFWWAWABLN-IAGOWNOFSA-N 2 0 317.477 2.021 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938904 798972902 /nfs/dbraw/zinc/97/29/02/798972902.db2.gz ZRSBMFUJVUOUJH-UHFFFAOYSA-N 2 0 317.477 2.024 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001202495987 798985486 /nfs/dbraw/zinc/98/54/86/798985486.db2.gz LWSIHAWKMMXABN-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163006272 799221460 /nfs/dbraw/zinc/22/14/60/799221460.db2.gz BNCIKIBPXCUUNF-UHFFFAOYSA-N 2 0 317.477 2.174 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001202765322 799481655 /nfs/dbraw/zinc/48/16/55/799481655.db2.gz UZDJYDZZBZILLS-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP 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 799647888 /nfs/dbraw/zinc/64/78/88/799647888.db2.gz PDZXRIOXUUDDGK-BDXSIMOUSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420443 800355023 /nfs/dbraw/zinc/35/50/23/800355023.db2.gz UPXHIODICWMJMS-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590524 800382121 /nfs/dbraw/zinc/38/21/21/800382121.db2.gz IVTRLBBCTLQZON-UHFFFAOYSA-N 2 0 324.428 2.108 20 30 DEEDRP C=CC[NH2+]CCN1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001206287375 800502236 /nfs/dbraw/zinc/50/22/36/800502236.db2.gz ZLZOFBUHMXJNLW-UHFFFAOYSA-N 2 0 310.445 2.441 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206302155 800505275 /nfs/dbraw/zinc/50/52/75/800505275.db2.gz UIMPKSHBQKCYOI-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP Cn1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1C#N ZINC001207106885 800684410 /nfs/dbraw/zinc/68/44/10/800684410.db2.gz WLTMIRBVNIPLHD-UHFFFAOYSA-N 2 0 300.450 2.451 20 30 DEEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396026 800743596 /nfs/dbraw/zinc/74/35/96/800743596.db2.gz AQADEDKQIILFQN-OALUTQOASA-N 2 0 322.493 2.402 20 30 DEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001111161317 800854842 /nfs/dbraw/zinc/85/48/42/800854842.db2.gz BIKNWRZNEHSTBZ-KURKYZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179352 800861967 /nfs/dbraw/zinc/86/19/67/800861967.db2.gz DGPPOODBSGTLFV-KURKYZTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208279211 800945069 /nfs/dbraw/zinc/94/50/69/800945069.db2.gz KSSZFRNZBZBCLT-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208340994 800960030 /nfs/dbraw/zinc/96/00/30/800960030.db2.gz SPPJILYYDHGLJY-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411114 800978536 /nfs/dbraw/zinc/97/85/36/800978536.db2.gz MRMQWWUGQGRDCQ-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411025 800978599 /nfs/dbraw/zinc/97/85/99/800978599.db2.gz LAWJDRMHJZHSSH-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001209161095 801139943 /nfs/dbraw/zinc/13/99/43/801139943.db2.gz GWZXXYHGIOVMCE-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229693173 801306131 /nfs/dbraw/zinc/30/61/31/801306131.db2.gz OJKJHBSNGZOSKF-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210183934 801348406 /nfs/dbraw/zinc/34/84/06/801348406.db2.gz UVHQZUMDYQICOR-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330037 801378324 /nfs/dbraw/zinc/37/83/24/801378324.db2.gz MAXIELLFMRWQOQ-IAGOWNOFSA-N 2 0 321.509 2.489 20 30 DEEDRP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610462 801435433 /nfs/dbraw/zinc/43/54/33/801435433.db2.gz BNTNZCDEWAMWOY-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750333 801457612 /nfs/dbraw/zinc/45/76/12/801457612.db2.gz BVIRDOZCOXATHS-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262322 801539558 /nfs/dbraw/zinc/53/95/58/801539558.db2.gz OGKTYJVQKKTKTK-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215069360 801797681 /nfs/dbraw/zinc/79/76/81/801797681.db2.gz KUICBDLHHVGCAC-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298935 801832095 /nfs/dbraw/zinc/83/20/95/801832095.db2.gz NXTJBHSYFIPGIV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773863 801903382 /nfs/dbraw/zinc/90/33/82/801903382.db2.gz BAGFFEVQSNKDIF-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216348810 801965082 /nfs/dbraw/zinc/96/50/82/801965082.db2.gz OOPDCHRZTUAFNI-KBAYOESNSA-N 2 0 315.461 2.302 20 30 DEEDRP C[C@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc1 ZINC001218871243 802252310 /nfs/dbraw/zinc/25/23/10/802252310.db2.gz JPKHYIXBNNKUCS-CJNGLKHVSA-N 2 0 302.422 2.311 20 30 DEEDRP CCc1cc(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)cc(CC)c1C#N ZINC001219112646 802283572 /nfs/dbraw/zinc/28/35/72/802283572.db2.gz PECVDMNNBNOEPX-KRWDZBQOSA-N 2 0 316.449 2.339 20 30 DEEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001219112656 802284188 /nfs/dbraw/zinc/28/41/88/802284188.db2.gz PLZDSAWIEVBWMR-AWEZNQCLSA-N 2 0 306.385 2.004 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799801 802499525 /nfs/dbraw/zinc/49/95/25/802499525.db2.gz HHQMWAWQQFZRFP-AGIUHOORSA-N 2 0 321.387 2.107 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811877 802618070 /nfs/dbraw/zinc/61/80/70/802618070.db2.gz NFGUNEGVRJRDQX-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505654 802796422 /nfs/dbraw/zinc/79/64/22/802796422.db2.gz LWDKXPUROUCQIE-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223727233 802811746 /nfs/dbraw/zinc/81/17/46/802811746.db2.gz XWNNPBSEMHMYFS-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001227899618 803293164 /nfs/dbraw/zinc/29/31/64/803293164.db2.gz AJVNSYIOWZDSPC-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228602257 803379861 /nfs/dbraw/zinc/37/98/61/803379861.db2.gz FXGCSUKXBWMEAG-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001330900419 1149328538 /nfs/dbraw/zinc/32/85/38/1149328538.db2.gz OJBDRMBDLRJRQE-IRXDYDNUSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001370276409 1149458986 /nfs/dbraw/zinc/45/89/86/1149458986.db2.gz PUBNJJUNVDRVOD-HNNXBMFYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500547102 1058916927 /nfs/dbraw/zinc/91/69/27/1058916927.db2.gz ODKHAIVPFBGWPM-FUHWJXTLSA-N 2 0 307.482 2.123 20 30 DEEDRP CC[NH+]1CCC(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001474617240 1060905128 /nfs/dbraw/zinc/90/51/28/1060905128.db2.gz ZXOVOBCRGSIOKV-SFHVURJKSA-N 2 0 301.434 2.255 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001505845544 1061026872 /nfs/dbraw/zinc/02/68/72/1061026872.db2.gz RLRICQDUKMVELI-AWEZNQCLSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001479572745 1061509200 /nfs/dbraw/zinc/50/92/00/1061509200.db2.gz QTYIJUMGIHHVGV-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506543090 1062109855 /nfs/dbraw/zinc/10/98/55/1062109855.db2.gz PSHIEWDBKGMHIN-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480174146 1062427448 /nfs/dbraw/zinc/42/74/48/1062427448.db2.gz STDCONGCUMZWHB-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001506888238 1062473763 /nfs/dbraw/zinc/47/37/63/1062473763.db2.gz XGTSRXKSQXJZRI-TVFCKZIOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480299516 1062605832 /nfs/dbraw/zinc/60/58/32/1062605832.db2.gz DDPHYCMKEXZZKE-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001480349917 1062696599 /nfs/dbraw/zinc/69/65/99/1062696599.db2.gz MVXCXRIRGOTCGC-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480386480 1062769640 /nfs/dbraw/zinc/76/96/40/1062769640.db2.gz JHKZJTZMUKZOCW-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001507145126 1062913254 /nfs/dbraw/zinc/91/32/54/1062913254.db2.gz WZDZTIWZJAYYKC-SJLPKXTDSA-N 2 0 315.461 2.139 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001507961243 1063479127 /nfs/dbraw/zinc/47/91/27/1063479127.db2.gz IJHASMIEKYTSGO-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001508031928 1063508073 /nfs/dbraw/zinc/50/80/73/1063508073.db2.gz STMDOPFYLRZNEH-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001494082459 1064118203 /nfs/dbraw/zinc/11/82/03/1064118203.db2.gz GXUGNTMIVXCBAV-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494136428 1064135873 /nfs/dbraw/zinc/13/58/73/1064135873.db2.gz DDAYKLLONRBFHB-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001494205179 1064173448 /nfs/dbraw/zinc/17/34/48/1064173448.db2.gz ARECGSWNFIHDFZ-UHFFFAOYSA-N 2 0 321.509 2.158 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001567666130 1064329321 /nfs/dbraw/zinc/32/93/21/1064329321.db2.gz SOLKKBXECMTPHH-ZWKOTPCHSA-N 2 0 315.461 2.351 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567712949 1064369894 /nfs/dbraw/zinc/36/98/94/1064369894.db2.gz SDLVCTPRTNIKFP-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567729503 1064382161 /nfs/dbraw/zinc/38/21/61/1064382161.db2.gz IGGDNRUTPCGXOG-HZPDHXFCSA-N 2 0 313.461 2.023 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001567998349 1064585793 /nfs/dbraw/zinc/58/57/93/1064585793.db2.gz JCQYVGHPMLIXMM-INIZCTEOSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH2+]C[C@@](C)(NC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001568024544 1064603181 /nfs/dbraw/zinc/60/31/81/1064603181.db2.gz DPOLGHDRWPAABI-LJQANCHMSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001568106226 1064649387 /nfs/dbraw/zinc/64/93/87/1064649387.db2.gz ORHGIAXUHROIKU-WKILWMFISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001568114239 1064653793 /nfs/dbraw/zinc/65/37/93/1064653793.db2.gz CQEJMOYYRGQDHO-QAQDUYKDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001568126079 1064660066 /nfs/dbraw/zinc/66/00/66/1064660066.db2.gz OYOMHNKOOMQBQR-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001568253084 1064729710 /nfs/dbraw/zinc/72/97/10/1064729710.db2.gz XIOKAKWGSWSWFK-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001495283112 1064807675 /nfs/dbraw/zinc/80/76/75/1064807675.db2.gz WBYCPIPUNPHHSG-APWZRJJASA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@@H]1C ZINC001495317785 1064826138 /nfs/dbraw/zinc/82/61/38/1064826138.db2.gz BRYSWIZRTBFRKB-LPHOPBHVSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568387356 1064829112 /nfs/dbraw/zinc/82/91/12/1064829112.db2.gz VBWNNFBYKRFQSC-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[N@@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001568438362 1064872558 /nfs/dbraw/zinc/87/25/58/1064872558.db2.gz DZYPOMXZWJLYDP-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568531190 1064942385 /nfs/dbraw/zinc/94/23/85/1064942385.db2.gz NPORNTAFHRZDRY-IRXDYDNUSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001568537521 1064949042 /nfs/dbraw/zinc/94/90/42/1064949042.db2.gz RZHHJJYAKPMBIW-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568632514 1065008793 /nfs/dbraw/zinc/00/87/93/1065008793.db2.gz MFVMDXHUHSDRGR-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001569173849 1065339787 /nfs/dbraw/zinc/33/97/87/1065339787.db2.gz HBQLFVJVBOXAHG-QZTJIDSGSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001569174849 1065341160 /nfs/dbraw/zinc/34/11/60/1065341160.db2.gz NGEICBPJYODOGA-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001569321524 1065427761 /nfs/dbraw/zinc/42/77/61/1065427761.db2.gz QMCFXTKFPDPZTM-IRXDYDNUSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001496443828 1065473962 /nfs/dbraw/zinc/47/39/62/1065473962.db2.gz IOLSVTJFJIUHFP-GOEBONIOSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001569480477 1065531320 /nfs/dbraw/zinc/53/13/20/1065531320.db2.gz ATPRNGAWDDZAFO-SFHVURJKSA-N 2 0 316.449 2.151 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CCCC1 ZINC001569614449 1065624330 /nfs/dbraw/zinc/62/43/30/1065624330.db2.gz VBKLXADWZKBTRX-QGZVFWFLSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001569715731 1065687016 /nfs/dbraw/zinc/68/70/16/1065687016.db2.gz QCYNQOVRKYEKKH-IEBWSBKVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001569856861 1065770699 /nfs/dbraw/zinc/77/06/99/1065770699.db2.gz YHTUVRLMHZMLRM-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC(C)C)CCC2)CC1 ZINC001570127759 1065934052 /nfs/dbraw/zinc/93/40/52/1065934052.db2.gz SBARONSURATXJV-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001570275378 1065999860 /nfs/dbraw/zinc/99/98/60/1065999860.db2.gz VRGFRQKIYNWNED-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001497622152 1066193922 /nfs/dbraw/zinc/19/39/22/1066193922.db2.gz VZRLCBSFLRYJDO-SREVYHEPSA-N 2 0 312.417 2.485 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309152 1148520500 /nfs/dbraw/zinc/52/05/00/1148520500.db2.gz UJFMJVWMICSRDM-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]cn2)[C@H](C)C1 ZINC001499835049 1067354227 /nfs/dbraw/zinc/35/42/27/1067354227.db2.gz LOINPVQEVAFUIQ-CABCVRRESA-N 2 0 304.438 2.278 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC001639644113 1078622607 /nfs/dbraw/zinc/62/26/07/1078622607.db2.gz OZECOPXHBXATLE-UHFFFAOYSA-N 2 0 316.449 2.043 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CC ZINC001483618581 1078634483 /nfs/dbraw/zinc/63/44/83/1078634483.db2.gz OZHDSOOZPUNHIY-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001570796024 1068119750 /nfs/dbraw/zinc/11/97/50/1068119750.db2.gz BCPQFZWIBAQXOX-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001570932121 1068162421 /nfs/dbraw/zinc/16/24/21/1068162421.db2.gz PCAHPFZOIFTQCN-XLAORIBOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001571397957 1068273534 /nfs/dbraw/zinc/27/35/34/1068273534.db2.gz LBGIAQUKIFFEHY-HNNXBMFYSA-N 2 0 303.450 2.027 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001571526332 1068396801 /nfs/dbraw/zinc/39/68/01/1068396801.db2.gz FGMQYDVOZJZFDR-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001329256317 1148878421 /nfs/dbraw/zinc/87/84/21/1148878421.db2.gz AXYIGZLYIXVQSP-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267466865 1078879786 /nfs/dbraw/zinc/87/97/86/1078879786.db2.gz SEZISVNFBJYENC-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC1(CC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C[NH2+]C1 ZINC001574879530 1069284791 /nfs/dbraw/zinc/28/47/91/1069284791.db2.gz CKSUALILMPHBST-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267564637 1078997956 /nfs/dbraw/zinc/99/79/56/1078997956.db2.gz UGLHDVCIYXADQU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001329334906 1148885324 /nfs/dbraw/zinc/88/53/24/1148885324.db2.gz GGSUJKZIKPWZMK-UHFFFAOYSA-N 2 0 309.498 2.062 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481112764 1079196789 /nfs/dbraw/zinc/19/67/89/1079196789.db2.gz RYUFLZXMNOSOPB-MRXNPFEDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001484014529 1079243365 /nfs/dbraw/zinc/24/33/65/1079243365.db2.gz OBWXIHMLCJPJDY-HNNXBMFYSA-N 2 0 315.889 2.344 20 30 DEEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001484100836 1079303118 /nfs/dbraw/zinc/30/31/18/1079303118.db2.gz OXNPOADZCJJURJ-IBGZPJMESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484107165 1079306575 /nfs/dbraw/zinc/30/65/75/1079306575.db2.gz JEUORDAWGIUVSF-AEFFLSMTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484122043 1079312505 /nfs/dbraw/zinc/31/25/05/1079312505.db2.gz OSXIDLOQXYOBHZ-AEFFLSMTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001566614060 1075297407 /nfs/dbraw/zinc/29/74/07/1075297407.db2.gz YHCXAYNZHOEMKC-MRXNPFEDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001566623003 1075299594 /nfs/dbraw/zinc/29/95/94/1075299594.db2.gz FMQLYIZYLOEFHK-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001566791699 1075346413 /nfs/dbraw/zinc/34/64/13/1075346413.db2.gz NACJWDPFAYITBD-QUSNUVHPSA-N 2 0 307.482 2.308 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001566943011 1075395231 /nfs/dbraw/zinc/39/52/31/1075395231.db2.gz XFVSCMFBGQAQTJ-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962885 1075401619 /nfs/dbraw/zinc/40/16/19/1075401619.db2.gz MWKHDHSDMCFDHE-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567203229 1075463318 /nfs/dbraw/zinc/46/33/18/1075463318.db2.gz PVNILZCFNVRIPV-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267811438 1079510592 /nfs/dbraw/zinc/51/05/92/1079510592.db2.gz STDLZWVAAUYCLV-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001484568398 1079665473 /nfs/dbraw/zinc/66/54/73/1079665473.db2.gz HZTUTPWYZWDZMN-SZMVWBNQSA-N 2 0 319.493 2.169 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284001295 1079682853 /nfs/dbraw/zinc/68/28/53/1079682853.db2.gz PVGVKKZSQGVFCM-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001484616363 1079688157 /nfs/dbraw/zinc/68/81/57/1079688157.db2.gz NOQZTPQTXVGUTO-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001284033040 1079725050 /nfs/dbraw/zinc/72/50/50/1079725050.db2.gz NMLYFHKQZPXYKN-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485033402 1079929710 /nfs/dbraw/zinc/92/97/10/1079929710.db2.gz GFTRPBMQBQWEFX-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500152 1079959287 /nfs/dbraw/zinc/95/92/87/1079959287.db2.gz CXBGYJVDCFWHAX-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001485081990 1079971092 /nfs/dbraw/zinc/97/10/92/1079971092.db2.gz AAMBCAGDBZNPFK-SFHVURJKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001656176442 1080060137 /nfs/dbraw/zinc/06/01/37/1080060137.db2.gz WKVQDGXXGATUBB-IXDOHACOSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001656219566 1080068487 /nfs/dbraw/zinc/06/84/87/1080068487.db2.gz UAQDWUKPXFEKDQ-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001485238969 1080089434 /nfs/dbraw/zinc/08/94/34/1080089434.db2.gz UPMATCOMPZFLQO-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001656908647 1080137385 /nfs/dbraw/zinc/13/73/85/1080137385.db2.gz JGAYANGRFNGWAR-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001268214797 1080200018 /nfs/dbraw/zinc/20/00/18/1080200018.db2.gz WVRNAYWVTPNIIH-IAGOWNOFSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001485666583 1080355297 /nfs/dbraw/zinc/35/52/97/1080355297.db2.gz POIVYJVQFVUYSW-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001485702572 1080384363 /nfs/dbraw/zinc/38/43/63/1080384363.db2.gz WTNUUILRJZDOHN-VQHPVUNQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001485701768 1080384517 /nfs/dbraw/zinc/38/45/17/1080384517.db2.gz WMRNTLSPPNMTMR-JCNLHEQBSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001279328930 1080456873 /nfs/dbraw/zinc/45/68/73/1080456873.db2.gz MYKNBNLIPIQUCQ-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001661216135 1080457702 /nfs/dbraw/zinc/45/77/02/1080457702.db2.gz KBTSNAONMAUWAC-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485815569 1080496405 /nfs/dbraw/zinc/49/64/05/1080496405.db2.gz LYZYXTBNSPCLGG-DLBZAZTESA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481783666 1080503006 /nfs/dbraw/zinc/50/30/06/1080503006.db2.gz YFHVNNZDOQAPRC-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001279169802 1080550542 /nfs/dbraw/zinc/55/05/42/1080550542.db2.gz JGNBGIURDNXHKH-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001662690653 1080635136 /nfs/dbraw/zinc/63/51/36/1080635136.db2.gz JDBGCINLUQAZSI-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001482008586 1080683625 /nfs/dbraw/zinc/68/36/25/1080683625.db2.gz ZJXZUUFLEIPULU-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001482010766 1080685895 /nfs/dbraw/zinc/68/58/95/1080685895.db2.gz VXIFKUSLTLSZBQ-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001482018258 1080691415 /nfs/dbraw/zinc/69/14/15/1080691415.db2.gz NHVHGKFRNMCKMH-XSLAGTTESA-N 2 0 317.477 2.044 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001663067804 1080695216 /nfs/dbraw/zinc/69/52/16/1080695216.db2.gz XRLXYBCFLKWKNY-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001482050133 1080748448 /nfs/dbraw/zinc/74/84/48/1080748448.db2.gz STYZCQPTVJQVTM-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001664548121 1080925816 /nfs/dbraw/zinc/92/58/16/1080925816.db2.gz GCQOXCBDGAUVCV-UHFFFAOYSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001664597672 1080930419 /nfs/dbraw/zinc/93/04/19/1080930419.db2.gz BZCIAWKTJNCHQP-ROUUACIJSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[NH2+]C[C@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001666027170 1081112617 /nfs/dbraw/zinc/11/26/17/1081112617.db2.gz WUNSCUKJNZZIMZ-YJBOKZPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001667488570 1081257961 /nfs/dbraw/zinc/25/79/61/1081257961.db2.gz JIUIRXSNBSHVMG-ULQDDVLXSA-N 2 0 309.498 2.413 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001667498153 1081258361 /nfs/dbraw/zinc/25/83/61/1081258361.db2.gz IORSDEWXCSBIGJ-IRXDYDNUSA-N 2 0 307.482 2.003 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@H](C)CCC=C)CC1 ZINC001667669620 1081272434 /nfs/dbraw/zinc/27/24/34/1081272434.db2.gz XIHVZQAGRQQYJX-QGZVFWFLSA-N 2 0 319.493 2.077 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001667692798 1081275433 /nfs/dbraw/zinc/27/54/33/1081275433.db2.gz CPXWEYUBIWSQKO-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH+](CCNC(=O)CC[N@@H+](C)CC)C1CCCCCC1 ZINC001269616284 1081308250 /nfs/dbraw/zinc/30/82/50/1081308250.db2.gz KBCIHICEHNGWOI-UHFFFAOYSA-N 2 0 321.509 2.493 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001482238479 1081337137 /nfs/dbraw/zinc/33/71/37/1081337137.db2.gz ROGKVSTXDYEKJO-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001270158843 1081463142 /nfs/dbraw/zinc/46/31/42/1081463142.db2.gz IRJPFBSHGFQIBS-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001669710553 1081463778 /nfs/dbraw/zinc/46/37/78/1081463778.db2.gz CGDFUQKQBKMXRG-RDJZCZTQSA-N 2 0 303.450 2.350 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669962099 1081483773 /nfs/dbraw/zinc/48/37/73/1081483773.db2.gz SAMMMTWYSDGXAY-YJBOKZPZSA-N 2 0 324.428 2.154 20 30 DEEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCC)CC1 ZINC001270295968 1081496240 /nfs/dbraw/zinc/49/62/40/1081496240.db2.gz INPVCMBWINJIBZ-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671887335 1081546728 /nfs/dbraw/zinc/54/67/28/1081546728.db2.gz NAZYJOCEKUDKET-MJGOQNOKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001671900589 1081547196 /nfs/dbraw/zinc/54/71/96/1081547196.db2.gz CTKBDJGKFABZRO-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672538029 1081610741 /nfs/dbraw/zinc/61/07/41/1081610741.db2.gz MMCKEDWMMSUOIC-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001270788084 1081713475 /nfs/dbraw/zinc/71/34/75/1081713475.db2.gz GQEANSXKSPPXOT-SFHVURJKSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCN1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444508 1081714724 /nfs/dbraw/zinc/71/47/24/1081714724.db2.gz UKRPIEYMFGWDNJ-NVXWUHKLSA-N 2 0 305.466 2.112 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001482420768 1081809827 /nfs/dbraw/zinc/80/98/27/1081809827.db2.gz FNMGALHLEGYHOG-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001271021828 1081879289 /nfs/dbraw/zinc/87/92/89/1081879289.db2.gz UTDOXBYQSNJWER-CYBMUJFWSA-N 2 0 300.406 2.269 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674499218 1081883960 /nfs/dbraw/zinc/88/39/60/1081883960.db2.gz FOICPXIKRUGCHC-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266247342 1081914858 /nfs/dbraw/zinc/91/48/58/1081914858.db2.gz IXVUWPWUHBYKSU-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266465923 1082054423 /nfs/dbraw/zinc/05/44/23/1082054423.db2.gz FSJCTLGKWILQMR-KRWDZBQOSA-N 2 0 321.509 2.158 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001271656074 1082101957 /nfs/dbraw/zinc/10/19/57/1082101957.db2.gz PJPBRTAVHULOAF-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271656144 1082102090 /nfs/dbraw/zinc/10/20/90/1082102090.db2.gz PXNSYBZXZMQQQH-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001271772606 1082150488 /nfs/dbraw/zinc/15/04/88/1082150488.db2.gz RXEPSKPBQSPYPT-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001271779274 1082152774 /nfs/dbraw/zinc/15/27/74/1082152774.db2.gz VNPHYWMEZUCRGY-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001266884060 1082428044 /nfs/dbraw/zinc/42/80/44/1082428044.db2.gz KOHTUJJTALWJHQ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283297350 1082469496 /nfs/dbraw/zinc/46/94/96/1082469496.db2.gz XZTLMYSIBMIIOA-DOTOQJQBSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546524 1083473960 /nfs/dbraw/zinc/47/39/60/1083473960.db2.gz GMESPFWCSHYGID-YQVWRLOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001277274344 1083886978 /nfs/dbraw/zinc/88/69/78/1083886978.db2.gz KTQBFOCGWFWSPE-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001491369725 1084259525 /nfs/dbraw/zinc/25/95/25/1084259525.db2.gz GICVQMAVMQEEDQ-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277937459 1084387969 /nfs/dbraw/zinc/38/79/69/1084387969.db2.gz FCNCTDVRAJSVBM-YOEHRIQHSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCN1CC2(CCC1=O)CC[NH+](CC(C)(C)C[NH+](C)C)CC2 ZINC001272871427 1084398361 /nfs/dbraw/zinc/39/83/61/1084398361.db2.gz WWESJRKZLYBDQS-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486211001 1085143301 /nfs/dbraw/zinc/14/33/01/1085143301.db2.gz SENXHDLWCNCTIG-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001486373844 1085246705 /nfs/dbraw/zinc/24/67/05/1085246705.db2.gz FKAASADPTFQZAQ-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081179764 1089368849 /nfs/dbraw/zinc/36/88/49/1089368849.db2.gz JERANIXWPVSSNP-KSZLIROESA-N 2 0 315.461 2.097 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959876567 1089812599 /nfs/dbraw/zinc/81/25/99/1089812599.db2.gz QFJYJJRLOPOWNC-FVQHAEBGSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001279160461 1090460751 /nfs/dbraw/zinc/46/07/51/1090460751.db2.gz DVJJHKGIYWTZQZ-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853207 1090476557 /nfs/dbraw/zinc/47/65/57/1090476557.db2.gz VPPBSVUUQJJPHB-KURKYZTESA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938954 1090530757 /nfs/dbraw/zinc/53/07/57/1090530757.db2.gz MKZQRZIVVZLASU-KURKYZTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001274267985 1091158950 /nfs/dbraw/zinc/15/89/50/1091158950.db2.gz HRSBOFMSDXJAPF-INIZCTEOSA-N 2 0 324.428 2.467 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001274446613 1091250344 /nfs/dbraw/zinc/25/03/44/1091250344.db2.gz RIUVKULQQVYHDQ-JKSUJKDBSA-N 2 0 309.498 2.365 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCC(C)(C)C)CC1 ZINC001320929035 1091393682 /nfs/dbraw/zinc/39/36/82/1091393682.db2.gz OMTUBNSWVSCMLO-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001411213352 1091428700 /nfs/dbraw/zinc/42/87/00/1091428700.db2.gz FLRLFSXLKSLCDZ-KBPBESRZSA-N 2 0 317.905 2.446 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001274886051 1091457736 /nfs/dbraw/zinc/45/77/36/1091457736.db2.gz YRRSXQKHTDXWNC-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001274894148 1091466206 /nfs/dbraw/zinc/46/62/06/1091466206.db2.gz HGZHYHZQFIVFNA-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001275081573 1091543960 /nfs/dbraw/zinc/54/39/60/1091543960.db2.gz WNIOOMHIDIOJHI-IEBWSBKVSA-N 2 0 315.461 2.275 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001489325455 1093021879 /nfs/dbraw/zinc/02/18/79/1093021879.db2.gz FWYCPHVKFXAFEY-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001490348733 1093295138 /nfs/dbraw/zinc/29/51/38/1093295138.db2.gz HCIOFQPATAXARJ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001490443297 1093359469 /nfs/dbraw/zinc/35/94/69/1093359469.db2.gz YPANJADPWKNASK-MRXNPFEDSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001490598329 1093437252 /nfs/dbraw/zinc/43/72/52/1093437252.db2.gz ISGVUTLVDBWCDR-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490772716 1093521264 /nfs/dbraw/zinc/52/12/64/1093521264.db2.gz QTCCXLCBLLZVMH-IRXDYDNUSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274111333 1093803185 /nfs/dbraw/zinc/80/31/85/1093803185.db2.gz WCLLQRGFGZMUAJ-SFHVURJKSA-N 2 0 310.401 2.087 20 30 DEEDRP C[NH+](C)CCN(Cc1cccc(Cl)c1C#N)[C@H]1CCC[NH2+]C1 ZINC001236932877 1138461201 /nfs/dbraw/zinc/46/12/01/1138461201.db2.gz OORQQLDIZNXLHW-HNNXBMFYSA-N 2 0 320.868 2.327 20 30 DEEDRP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCC)CC1 ZINC001278184543 1138820287 /nfs/dbraw/zinc/82/02/87/1138820287.db2.gz OANZJLGUFWYBNC-UHFFFAOYSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[NH2+]C[C@@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@@H]1C ZINC001318744063 1140398459 /nfs/dbraw/zinc/39/84/59/1140398459.db2.gz JEZDBJPPQKJGII-YJBOKZPZSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001318804425 1140424395 /nfs/dbraw/zinc/42/43/95/1140424395.db2.gz JCPQQQSYABYGHZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318852599 1140437018 /nfs/dbraw/zinc/43/70/18/1140437018.db2.gz XHELIJBOLBEJCO-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318851598 1140438113 /nfs/dbraw/zinc/43/81/13/1140438113.db2.gz TXMZJOHSUVBJTC-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001318996162 1140487715 /nfs/dbraw/zinc/48/77/15/1140487715.db2.gz OKJUQYFPCZBITC-QGZVFWFLSA-N 2 0 301.434 2.063 20 30 DEEDRP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001319008340 1140489727 /nfs/dbraw/zinc/48/97/27/1140489727.db2.gz BGRMTVQBTNTWJV-GOSISDBHSA-N 2 0 315.461 2.310 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001319375478 1140558580 /nfs/dbraw/zinc/55/85/80/1140558580.db2.gz YXXGOLBUJSHDTC-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319862456 1140778185 /nfs/dbraw/zinc/77/81/85/1140778185.db2.gz VHRMKSKJCZXLPM-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@]1(O)CCCC[NH2+]C1 ZINC001245977142 1140840391 /nfs/dbraw/zinc/84/03/91/1140840391.db2.gz VOJPFZZLAXMGOM-IRXDYDNUSA-N 2 0 300.487 2.192 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001245997281 1140843891 /nfs/dbraw/zinc/84/38/91/1140843891.db2.gz CGWBJKOZQZESTN-QZTJIDSGSA-N 2 0 322.424 2.020 20 30 DEEDRP N#CCC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001246519056 1140932522 /nfs/dbraw/zinc/93/25/22/1140932522.db2.gz LYYWWBZPVOZLKJ-JCYILVPMSA-N 2 0 320.481 2.168 20 30 DEEDRP C=CC[NH2+]Cc1nc2cccc(F)c2n1CC1CC[NH2+]CC1 ZINC001247037617 1141254183 /nfs/dbraw/zinc/25/41/83/1141254183.db2.gz YOJWALQSOQMHFR-UHFFFAOYSA-N 2 0 302.397 2.451 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001322843625 1141740122 /nfs/dbraw/zinc/74/01/22/1141740122.db2.gz DRBNVLISQUONJE-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001323460504 1141855705 /nfs/dbraw/zinc/85/57/05/1141855705.db2.gz XOSRQLFVLIFTGI-MRXNPFEDSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001323704619 1141878288 /nfs/dbraw/zinc/87/82/88/1141878288.db2.gz GMNSRDZQGXQRMK-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278518987 1141927213 /nfs/dbraw/zinc/92/72/13/1141927213.db2.gz LEXVAXZGKJRFIU-KRWDZBQOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001324340194 1142058496 /nfs/dbraw/zinc/05/84/96/1142058496.db2.gz QWBCBRICLILLJA-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252130814 1142651709 /nfs/dbraw/zinc/65/17/09/1142651709.db2.gz YLHBETGFUUQUQP-SFHVURJKSA-N 2 0 313.530 2.277 20 30 DEEDRP C=CCOCc1nn(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2c1C[NH2+]C2 ZINC001255677965 1143801414 /nfs/dbraw/zinc/80/14/14/1143801414.db2.gz SBHICEHQCNMSSC-YIONKMFJSA-N 2 0 316.449 2.377 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC001342741305 1143833908 /nfs/dbraw/zinc/83/39/08/1143833908.db2.gz OXMPVDZTASTDCQ-VQIMIIECSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256627133 1143858413 /nfs/dbraw/zinc/85/84/13/1143858413.db2.gz ZSGYRZKXJBLRGB-VEHMJYNQSA-N 2 0 320.477 2.438 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001257106140 1143888198 /nfs/dbraw/zinc/88/81/98/1143888198.db2.gz LXYLCJUPNFKGQV-REPLKXPHSA-N 2 0 321.509 2.234 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001279047893 1143953902 /nfs/dbraw/zinc/95/39/02/1143953902.db2.gz YVDRTYNFEVUTOQ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001265571764 1144712788 /nfs/dbraw/zinc/71/27/88/1144712788.db2.gz ZMFKBYZRZRQGLN-CALCHBBNSA-N 2 0 301.434 2.175 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265656104 1144723357 /nfs/dbraw/zinc/72/33/57/1144723357.db2.gz WKPHSAOHMDBCCR-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265940276 1144764084 /nfs/dbraw/zinc/76/40/84/1144764084.db2.gz REENOCWKXQBWAH-ROUUACIJSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266010685 1144785295 /nfs/dbraw/zinc/78/52/95/1144785295.db2.gz MAJHAMKVTJSPPV-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001266151732 1144810100 /nfs/dbraw/zinc/81/01/00/1144810100.db2.gz HOPPGLDYKPBFMB-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001279156642 1144818874 /nfs/dbraw/zinc/81/88/74/1144818874.db2.gz UEGWTZPAFQJBSS-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001279236682 1144819637 /nfs/dbraw/zinc/81/96/37/1144819637.db2.gz JFWITRSGTOLHFB-BCDXTJNWSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001279630503 1144826336 /nfs/dbraw/zinc/82/63/36/1144826336.db2.gz CYFJFRPWIOMHEC-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001280449145 1144840221 /nfs/dbraw/zinc/84/02/21/1144840221.db2.gz LKLSCYARBOQCAJ-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889899 1144861551 /nfs/dbraw/zinc/86/15/51/1144861551.db2.gz RWFGWCPCJFCRJD-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001282083874 1144963203 /nfs/dbraw/zinc/96/32/03/1144963203.db2.gz IMPFVLSGETWRKB-UHFFFAOYSA-N 2 0 315.461 2.422 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC/C=C/CC)CC1 ZINC001282497412 1145080382 /nfs/dbraw/zinc/08/03/82/1145080382.db2.gz OFSORSUHFUMLFH-OZSKJFCKSA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001282727355 1145148209 /nfs/dbraw/zinc/14/82/09/1145148209.db2.gz ZCGDYIXBUDUKRT-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+][C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001283452522 1145431685 /nfs/dbraw/zinc/43/16/85/1145431685.db2.gz LHEMUCGROMEILN-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284030711 1145759129 /nfs/dbraw/zinc/75/91/29/1145759129.db2.gz HPMCKHKHTFYSPI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001284292331 1145831405 /nfs/dbraw/zinc/83/14/05/1145831405.db2.gz REILPMJBUUDDII-CVEARBPZSA-N 2 0 309.498 2.365 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001284620161 1145880272 /nfs/dbraw/zinc/88/02/72/1145880272.db2.gz XPTMOPXEDQKINP-SJORKVTESA-N 2 0 321.509 2.252 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001316636545 1146005155 /nfs/dbraw/zinc/00/51/55/1146005155.db2.gz QWBDBFWFHODUGC-QAQDUYKDSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292274516 1146851501 /nfs/dbraw/zinc/85/15/01/1146851501.db2.gz RBBCEJYNMGLLSQ-SFHVURJKSA-N 2 0 315.461 2.133 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001316668996 1146916178 /nfs/dbraw/zinc/91/61/78/1146916178.db2.gz KVEFOGKXUFRKHH-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001491857456 1146922779 /nfs/dbraw/zinc/92/27/79/1146922779.db2.gz SLMUPSGFIUPJEA-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491874231 1146944064 /nfs/dbraw/zinc/94/40/64/1146944064.db2.gz MKVKVWQICXDYJR-UONOGXRCSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001316937918 1147574172 /nfs/dbraw/zinc/57/41/72/1147574172.db2.gz ROGDMJQSDPJVCY-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316880397 1147620157 /nfs/dbraw/zinc/62/01/57/1147620157.db2.gz OWATYMLBFJPSQL-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317196762 1147674456 /nfs/dbraw/zinc/67/44/56/1147674456.db2.gz XZFJWRCGXAFFQF-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001317204095 1147676164 /nfs/dbraw/zinc/67/61/64/1147676164.db2.gz ATKTUXHJPYFZLA-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317363902 1147696464 /nfs/dbraw/zinc/69/64/64/1147696464.db2.gz QELSLKJRQJDSQT-ROUUACIJSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317852832 1147758013 /nfs/dbraw/zinc/75/80/13/1147758013.db2.gz INRAPQLFXRALPG-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001318048355 1147766980 /nfs/dbraw/zinc/76/69/80/1147766980.db2.gz QVWBQNPLZMHTMY-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001318159117 1147786598 /nfs/dbraw/zinc/78/65/98/1147786598.db2.gz LLKGZWMYYLMESV-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001324943146 1147860662 /nfs/dbraw/zinc/86/06/62/1147860662.db2.gz DPTHFBPGAARGAH-PKOBYXMFSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001326540833 1148136952 /nfs/dbraw/zinc/13/69/52/1148136952.db2.gz MVRSENILRLOCPE-WKILWMFISA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001326863322 1148273254 /nfs/dbraw/zinc/27/32/54/1148273254.db2.gz DHSNNBGMYQUWJX-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264294223 529695746 /nfs/dbraw/zinc/69/57/46/529695746.db2.gz QFYZDRCRLSEPMF-AWEZNQCLSA-N 2 0 306.454 2.220 20 30 DEEDRP CN1CC[NH+]=C1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262689578 529778647 /nfs/dbraw/zinc/77/86/47/529778647.db2.gz ZUNIKGVHJPPTGF-IUODEOHRSA-N 2 0 324.831 2.363 20 30 DEEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858154 191238819 /nfs/dbraw/zinc/23/88/19/191238819.db2.gz GWKSDNANYYBWPN-OAHLLOKOSA-N 2 0 314.433 2.160 20 30 DEEDRP COCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000066242319 354705483 /nfs/dbraw/zinc/70/54/83/354705483.db2.gz FGSREVFXLGWSAM-AWEZNQCLSA-N 2 0 324.494 2.072 20 30 DEEDRP C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195637 357454672 /nfs/dbraw/zinc/45/46/72/357454672.db2.gz OIBXDNPXARNIKG-INIZCTEOSA-N 2 0 318.490 2.220 20 30 DEEDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598724889 359306631 /nfs/dbraw/zinc/30/66/31/359306631.db2.gz SEBZMWWNVXEMOT-QGZVFWFLSA-N 2 0 303.450 2.181 20 30 DEEDRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(C#N)cc1 ZINC000602509689 360410147 /nfs/dbraw/zinc/41/01/47/360410147.db2.gz HRLWPHRWHVHBKB-CQSZACIVSA-N 2 0 301.434 2.444 20 30 DEEDRP N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000442781326 238075570 /nfs/dbraw/zinc/07/55/70/238075570.db2.gz ILPFNJUDWVXIMA-ROUUACIJSA-N 2 0 313.445 2.425 20 30 DEEDRP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000268961692 207127062 /nfs/dbraw/zinc/12/70/62/207127062.db2.gz JAOBETMVMGCYGV-OALUTQOASA-N 2 0 313.445 2.416 20 30 DEEDRP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327434664 1148553514 /nfs/dbraw/zinc/55/35/14/1148553514.db2.gz BVYUUKGLVQKJQY-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1F)CC[NH+](C)C ZINC000289585959 221085976 /nfs/dbraw/zinc/08/59/76/221085976.db2.gz ZGRZBTQWMYHIPC-UHFFFAOYSA-N 2 0 306.429 2.013 20 30 DEEDRP C=CCN(CC=C)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000114723804 401807557 /nfs/dbraw/zinc/80/75/57/401807557.db2.gz WZTYDZOBYUODMY-UHFFFAOYSA-N 2 0 319.474 2.066 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000085403138 401915451 /nfs/dbraw/zinc/91/54/51/401915451.db2.gz SWOCHVZHAQPPGB-WBVHZDCISA-N 2 0 322.497 2.009 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CC1 ZINC000051189678 402032836 /nfs/dbraw/zinc/03/28/36/402032836.db2.gz QPVUSGRQTFUAPX-UHFFFAOYSA-N 2 0 312.461 2.206 20 30 DEEDRP Cn1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1C#N ZINC000190793017 402623009 /nfs/dbraw/zinc/62/30/09/402623009.db2.gz DIRNAOPFXUZAIY-UHFFFAOYSA-N 2 0 309.417 2.046 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181316856 402640992 /nfs/dbraw/zinc/64/09/92/402640992.db2.gz ZUCOELMSZGDTFM-WMZOPIPTSA-N 2 0 315.461 2.274 20 30 DEEDRP C#CCNC(=[NH+]C)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000261968755 402720629 /nfs/dbraw/zinc/72/06/29/402720629.db2.gz MDBJGAOUWMQIBF-RTBURBONSA-N 2 0 324.472 2.182 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000192787200 402749919 /nfs/dbraw/zinc/74/99/19/402749919.db2.gz MDJKLTUUSMKLQK-RDJZCZTQSA-N 2 0 304.482 2.217 20 30 DEEDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000194260523 402789057 /nfs/dbraw/zinc/78/90/57/402789057.db2.gz AWPYBPNHRDJBMO-QFBILLFUSA-N 2 0 314.477 2.481 20 30 DEEDRP CN(C(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000273347894 402996510 /nfs/dbraw/zinc/99/65/10/402996510.db2.gz PEVSJFDCYHNDBU-ZDUSSCGKSA-N 2 0 306.479 2.369 20 30 DEEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1=O ZINC000281200222 403060999 /nfs/dbraw/zinc/06/09/99/403060999.db2.gz NDJCVZORANLSQM-SFHVURJKSA-N 2 0 315.461 2.405 20 30 DEEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269404631 403137038 /nfs/dbraw/zinc/13/70/38/403137038.db2.gz HHBMDLORXWPIKT-UHFFFAOYSA-N 2 0 305.397 2.022 20 30 DEEDRP C[N@H+](CCCC#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285489265 403308961 /nfs/dbraw/zinc/30/89/61/403308961.db2.gz PDWOADXQVOFQRT-UHFFFAOYSA-N 2 0 300.450 2.040 20 30 DEEDRP C=CCC[C@@H](CC)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414201128 404547235 /nfs/dbraw/zinc/54/72/35/404547235.db2.gz SNHGPKCMXQTIQC-QGZVFWFLSA-N 2 0 309.498 2.117 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000352822439 404646465 /nfs/dbraw/zinc/64/64/65/404646465.db2.gz YERBNIKRWDUKQM-KRWDZBQOSA-N 2 0 322.497 2.201 20 30 DEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424149559 405022934 /nfs/dbraw/zinc/02/29/34/405022934.db2.gz WRIDPHAQTSUVDV-JYJNAYRXSA-N 2 0 308.470 2.024 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000451982740 405118100 /nfs/dbraw/zinc/11/81/00/405118100.db2.gz JYUDVDCIIUMEPR-UHFFFAOYSA-N 2 0 318.440 2.203 20 30 DEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421327019 405464215 /nfs/dbraw/zinc/46/42/15/405464215.db2.gz PHHYYTYENUGTFV-OAHLLOKOSA-N 2 0 318.440 2.061 20 30 DEEDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421324999 405464237 /nfs/dbraw/zinc/46/42/37/405464237.db2.gz JBZBLECAMKWMRI-UHFFFAOYSA-N 2 0 318.440 2.205 20 30 DEEDRP C=C[C@@H]1OCC[C@H]1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449520223 405595551 /nfs/dbraw/zinc/59/55/51/405595551.db2.gz OUWCWXBTRVTDKW-OCCSQVGLSA-N 2 0 307.463 2.343 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)C(C)C ZINC000423330760 405764141 /nfs/dbraw/zinc/76/41/41/405764141.db2.gz GEWQWUKYSQYXRZ-YESZJQIVSA-N 2 0 307.482 2.189 20 30 DEEDRP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000491523828 406610989 /nfs/dbraw/zinc/61/09/89/406610989.db2.gz HNQYFCLTPQPZKP-HZPDHXFCSA-N 2 0 302.397 2.098 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660703452 425211678 /nfs/dbraw/zinc/21/16/78/425211678.db2.gz CTTFCNMAVGKSNI-INIZCTEOSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657872345 425412678 /nfs/dbraw/zinc/41/26/78/425412678.db2.gz NCNNFCMIQCMJKQ-ZACQAIPSSA-N 2 0 307.482 2.298 20 30 DEEDRP C=CC[C@]1(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662683966 425711958 /nfs/dbraw/zinc/71/19/58/425711958.db2.gz XZVPRVNSFZNMLG-XYJFISCASA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)C(C)C ZINC000662681614 425712085 /nfs/dbraw/zinc/71/20/85/425712085.db2.gz KEZXHABDHQPMPH-HZPDHXFCSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CC[C@]1(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662683965 425712975 /nfs/dbraw/zinc/71/29/75/425712975.db2.gz XZVPRVNSFZNMLG-SOLBZPMBSA-N 2 0 307.482 2.169 20 30 DEEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262557905 274290365 /nfs/dbraw/zinc/29/03/65/274290365.db2.gz VLDWCEYJDHYOSD-ZBFHGGJFSA-N 2 0 316.449 2.146 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353241162 276357880 /nfs/dbraw/zinc/35/78/80/276357880.db2.gz LBFXGWRLSITUIG-AEFFLSMTSA-N 2 0 301.434 2.492 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)C(C)C ZINC000180989493 277849150 /nfs/dbraw/zinc/84/91/50/277849150.db2.gz LGHPEGYVZSPVIQ-FUHWJXTLSA-N 2 0 307.482 2.333 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001357395394 1152295912 /nfs/dbraw/zinc/29/59/12/1152295912.db2.gz DPMPEVBHSXLCIE-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001357582486 1152315720 /nfs/dbraw/zinc/31/57/20/1152315720.db2.gz WTHVJRQTTYAEMX-XIRDDKMYSA-N 2 0 305.466 2.145 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000268111212 533991033 /nfs/dbraw/zinc/99/10/33/533991033.db2.gz ZCEAVFXUOIJJQL-CQSZACIVSA-N 2 0 304.438 2.400 20 30 DEEDRP C=CC[C@H](CC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000341425636 527146448 /nfs/dbraw/zinc/14/64/48/527146448.db2.gz BAQKNQDGSAMHIQ-IRXDYDNUSA-N 2 0 324.513 2.399 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccnc1)C(C)C ZINC000267595752 529074692 /nfs/dbraw/zinc/07/46/92/529074692.db2.gz VZEDGSNCWQRILI-SJORKVTESA-N 2 0 317.481 2.210 20 30 DEEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001330590563 1149205378 /nfs/dbraw/zinc/20/53/78/1149205378.db2.gz CXZVXHBVFKEQFX-UHFFFAOYSA-N 2 0 311.429 2.224 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001026515811 625493544 /nfs/dbraw/zinc/49/35/44/625493544.db2.gz KLQHPXUJABGKPS-YMAMQOFZSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001026519470 625495214 /nfs/dbraw/zinc/49/52/14/625495214.db2.gz KKDCQRJIAYYAJJ-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001026610568 625564098 /nfs/dbraw/zinc/56/40/98/625564098.db2.gz MTLLZTLKVFUTSA-UHFFFAOYSA-N 2 0 313.445 2.012 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000969170465 622602833 /nfs/dbraw/zinc/60/28/33/622602833.db2.gz QVWZGBYJQSEEQL-HUUCEWRRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC000970338929 623406804 /nfs/dbraw/zinc/40/68/04/623406804.db2.gz JJGHAVOQSHFKBP-AWEZNQCLSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970450392 623457351 /nfs/dbraw/zinc/45/73/51/623457351.db2.gz BTRACVFSMXKWDG-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575687 623779658 /nfs/dbraw/zinc/77/96/58/623779658.db2.gz MFLWPTIQIHIMMQ-JKSUJKDBSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622369 623847176 /nfs/dbraw/zinc/84/71/76/623847176.db2.gz INVRGKVZQLBSKF-WMZOPIPTSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664295 623920721 /nfs/dbraw/zinc/92/07/21/623920721.db2.gz GXNHWWHDQWLCHE-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681674 623951741 /nfs/dbraw/zinc/95/17/41/623951741.db2.gz IOHPJUUFHDBOCH-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027650674 634388396 /nfs/dbraw/zinc/38/83/96/634388396.db2.gz CXCHNVVVEYKSCS-HNNXBMFYSA-N 2 0 316.449 2.260 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506895 624928012 /nfs/dbraw/zinc/92/80/12/624928012.db2.gz UDJIOKRTTQGBJY-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)CC1 ZINC000893021336 625057102 /nfs/dbraw/zinc/05/71/02/625057102.db2.gz BNCHIKPPDCXXIX-AEFFLSMTSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023380849 625246273 /nfs/dbraw/zinc/24/62/73/625246273.db2.gz ILLWHKSJYOLGOP-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446815 625271338 /nfs/dbraw/zinc/27/13/38/625271338.db2.gz YQUFRWFQNUAGOD-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024469518 625799941 /nfs/dbraw/zinc/79/99/41/625799941.db2.gz SBARDBMMEHPACM-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531387 625847957 /nfs/dbraw/zinc/84/79/57/625847957.db2.gz QPBBSCRRSZPTPJ-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC000978944002 634460110 /nfs/dbraw/zinc/46/01/10/634460110.db2.gz KOHXLMQUCWSHQP-FJIDUMEYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000999350877 634569907 /nfs/dbraw/zinc/56/99/07/634569907.db2.gz BYCJKUSOHZAPJS-RDJZCZTQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000999875934 634697735 /nfs/dbraw/zinc/69/77/35/634697735.db2.gz FEXLXJNNDNTXHM-YMAMQOFZSA-N 2 0 313.873 2.192 20 30 DEEDRP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024692572 632924253 /nfs/dbraw/zinc/92/42/53/632924253.db2.gz OYFHFPNRIZETPJ-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995983823 633154174 /nfs/dbraw/zinc/15/41/74/633154174.db2.gz SERATEORDRIZJI-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996672834 633345907 /nfs/dbraw/zinc/34/59/07/633345907.db2.gz RBDIBBOOIAFMIK-QGZVFWFLSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc3nccn32)CC1 ZINC000997220061 633678844 /nfs/dbraw/zinc/67/88/44/633678844.db2.gz SMTRRPXZVXUSDJ-CQSZACIVSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997225836 633681183 /nfs/dbraw/zinc/68/11/83/633681183.db2.gz VFONABCKVKWRGZ-CQSZACIVSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977456810 633993966 /nfs/dbraw/zinc/99/39/66/633993966.db2.gz VOJXJXZCRFWJQL-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980170328 634873511 /nfs/dbraw/zinc/87/35/11/634873511.db2.gz BNJVCZDRIURUDM-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC001000778984 635308150 /nfs/dbraw/zinc/30/81/50/635308150.db2.gz VDPHRIYIWPZCFI-INIZCTEOSA-N 2 0 314.433 2.085 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001000842088 635312030 /nfs/dbraw/zinc/31/20/30/635312030.db2.gz PTSLOJHOFUXBIU-UHFFFAOYSA-N 2 0 317.477 2.187 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000981122908 635324633 /nfs/dbraw/zinc/32/46/33/635324633.db2.gz OTJWWARBHJMLBU-HUUCEWRRSA-N 2 0 319.474 2.074 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001000851858 635328327 /nfs/dbraw/zinc/32/83/27/635328327.db2.gz PEROKGVMOCYOLQ-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001001006474 635376974 /nfs/dbraw/zinc/37/69/74/635376974.db2.gz GUJPZKPUHNOAIO-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001070029 635396976 /nfs/dbraw/zinc/39/69/76/635396976.db2.gz OIGVHDFOWYOXAR-QGZVFWFLSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001095109 635406511 /nfs/dbraw/zinc/40/65/11/635406511.db2.gz ZNSPEPMQUGGWAI-UHFFFAOYSA-N 2 0 317.433 2.279 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000981297248 635426572 /nfs/dbraw/zinc/42/65/72/635426572.db2.gz PCXQZHFZDKKFFR-GJZGRUSLSA-N 2 0 305.422 2.158 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438050 635483095 /nfs/dbraw/zinc/48/30/95/635483095.db2.gz JELNZJSOWYGHIK-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981926856 635735599 /nfs/dbraw/zinc/73/55/99/635735599.db2.gz BFYGHTMVLXUSMP-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001003223840 635924649 /nfs/dbraw/zinc/92/46/49/635924649.db2.gz ZYCAVMFVIINFQA-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003252510 635928782 /nfs/dbraw/zinc/92/87/82/635928782.db2.gz XJKOPGLGLASJHU-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253690 635963678 /nfs/dbraw/zinc/96/36/78/635963678.db2.gz FGYGREGUTWTBFR-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028253776 635964515 /nfs/dbraw/zinc/96/45/15/635964515.db2.gz GQELXILDLQMQRW-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028335098 636136265 /nfs/dbraw/zinc/13/62/65/636136265.db2.gz NQNLGRXBTGEGHL-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594842 636470437 /nfs/dbraw/zinc/47/04/37/636470437.db2.gz NGEGEUXHGXQAHI-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028767269 636719226 /nfs/dbraw/zinc/71/92/26/636719226.db2.gz MSXNNTLCVVYRGJ-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005504399 636753678 /nfs/dbraw/zinc/75/36/78/636753678.db2.gz QYFAUZVDJSEKEA-SFHVURJKSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005715123 636828087 /nfs/dbraw/zinc/82/80/87/636828087.db2.gz XFNOTDDITLTVNV-UHFFFAOYSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487089 637201677 /nfs/dbraw/zinc/20/16/77/637201677.db2.gz WSMUAZYVZADKST-GJZGRUSLSA-N 2 0 321.490 2.322 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006117229 637215281 /nfs/dbraw/zinc/21/52/81/637215281.db2.gz UYIISXHYUZHAHM-DLBZAZTESA-N 2 0 305.466 2.112 20 30 DEEDRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]CC#Cc3ccccc3)cc2)C1 ZINC000895336494 637941039 /nfs/dbraw/zinc/94/10/39/637941039.db2.gz GSWWPYWSPYBZBN-OAQYLSRUSA-N 2 0 320.436 2.395 20 30 DEEDRP C[NH+]1CCC(C[NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000895746396 638175691 /nfs/dbraw/zinc/17/56/91/638175691.db2.gz MSEZZLYSDSVZCR-UHFFFAOYSA-N 2 0 312.461 2.458 20 30 DEEDRP C#CC[N@@H+](C)C1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000985723423 639600771 /nfs/dbraw/zinc/60/07/71/639600771.db2.gz BOUAKEXSVRCDSL-UHFFFAOYSA-N 2 0 322.412 2.042 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985803577 639644696 /nfs/dbraw/zinc/64/46/96/639644696.db2.gz GKDOGUQWTDBKLU-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C[C@H]1CNC(NN=C2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)=[NH+]1 ZINC000841633320 650527124 /nfs/dbraw/zinc/52/71/24/650527124.db2.gz KOGQLUMFCQIXCX-GUYCJALGSA-N 2 0 311.433 2.279 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989451532 641011507 /nfs/dbraw/zinc/01/15/07/641011507.db2.gz TXYKTVHAHCNLJR-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829542 641243934 /nfs/dbraw/zinc/24/39/34/641243934.db2.gz SWFLBDMQMIFKBX-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990683080 641599790 /nfs/dbraw/zinc/59/97/90/641599790.db2.gz IVEQVLQAJWDPAL-YQVWRLOYSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000900453665 642375407 /nfs/dbraw/zinc/37/54/07/642375407.db2.gz OCFDMUAEQZLKEW-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902745849 643130369 /nfs/dbraw/zinc/13/03/69/643130369.db2.gz XJLCBINTFVZXHN-INIZCTEOSA-N 2 0 315.465 2.022 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000903458912 643352008 /nfs/dbraw/zinc/35/20/08/643352008.db2.gz MXKUMVADNJRSIM-QGZVFWFLSA-N 2 0 324.432 2.062 20 30 DEEDRP N#CC1(CCCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CCC1 ZINC000903746899 643445794 /nfs/dbraw/zinc/44/57/94/643445794.db2.gz NFKIHMJFGQNSQO-INIZCTEOSA-N 2 0 320.481 2.170 20 30 DEEDRP N#Cc1ccc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000903823926 643473504 /nfs/dbraw/zinc/47/35/04/643473504.db2.gz LLGQYLXGHPYGNE-SFHVURJKSA-N 2 0 311.429 2.259 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907862531 644664733 /nfs/dbraw/zinc/66/47/33/644664733.db2.gz XPBURZUIATWWOZ-GOSISDBHSA-N 2 0 315.461 2.133 20 30 DEEDRP CC(C)[N@@H+]1CC[C@H](CNC(NC[C@@H]2CCCO2)=[NH+]C(C)(C)C)C1 ZINC000912506784 646090208 /nfs/dbraw/zinc/09/02/08/646090208.db2.gz BWOAZUOWZRUCII-CVEARBPZSA-N 2 0 324.513 2.229 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829232 646696184 /nfs/dbraw/zinc/69/61/84/646696184.db2.gz HHTMKRYVUXVZNB-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185640 646892500 /nfs/dbraw/zinc/89/25/00/646892500.db2.gz CGKZYVMQGXOLRC-JENIJYKNSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992189913 646894493 /nfs/dbraw/zinc/89/44/93/646894493.db2.gz OASKIXOGXLOGQU-JFIYKMOQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992189918 646894919 /nfs/dbraw/zinc/89/49/19/646894919.db2.gz OASKIXOGXLOGQU-SOLBZPMBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992475492 647050261 /nfs/dbraw/zinc/05/02/61/647050261.db2.gz JTFIJPBYUQNDMO-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818985847 647557835 /nfs/dbraw/zinc/55/78/35/647557835.db2.gz XZQZRUYBZMYWNY-WMZOPIPTSA-N 2 0 301.434 2.302 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993681360 647724972 /nfs/dbraw/zinc/72/49/72/647724972.db2.gz GVCLJJRJYOFWAM-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179738368 648413981 /nfs/dbraw/zinc/41/39/81/648413981.db2.gz BDGRTJWIEPGAIN-OAHLLOKOSA-N 2 0 315.465 2.345 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737355 648935264 /nfs/dbraw/zinc/93/52/64/648935264.db2.gz NXLDKYLNNDOCRG-CVEARBPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867514 648958179 /nfs/dbraw/zinc/95/81/79/648958179.db2.gz COGRXAURZQXDOO-KRWDZBQOSA-N 2 0 324.428 2.188 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941237862 649028902 /nfs/dbraw/zinc/02/89/02/649028902.db2.gz RRGPXZBVWXJXRT-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372258 649096949 /nfs/dbraw/zinc/09/69/49/649096949.db2.gz AMYYYNQNGGFRAV-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558225 649244696 /nfs/dbraw/zinc/24/46/96/649244696.db2.gz TZXUZRRAMKOIJJ-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756598 649423070 /nfs/dbraw/zinc/42/30/70/649423070.db2.gz SAFXXXXZKQADCN-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603666 651957167 /nfs/dbraw/zinc/95/71/67/651957167.db2.gz OAVHIGOMMIBFRP-GOSISDBHSA-N 2 0 301.434 2.398 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000104159747 684058268 /nfs/dbraw/zinc/05/82/68/684058268.db2.gz REKZXDJNCUXBIR-HUUCEWRRSA-N 2 0 318.465 2.475 20 30 DEEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C1 ZINC000104178895 684059118 /nfs/dbraw/zinc/05/91/18/684059118.db2.gz LPOAVEQNFJFMAB-ZIAGYGMSSA-N 2 0 312.527 2.106 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054144969 693862383 /nfs/dbraw/zinc/86/23/83/693862383.db2.gz GBIDCERMYAKERU-IEBWSBKVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054153283 693864042 /nfs/dbraw/zinc/86/40/42/693864042.db2.gz NOJWFVLPTYVWPK-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160004 693866717 /nfs/dbraw/zinc/86/67/17/693866717.db2.gz SJXSVLIGSYBAIM-LJQANCHMSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2C1 ZINC001054259256 693904643 /nfs/dbraw/zinc/90/46/43/693904643.db2.gz RRPRSJIIPHAYFD-GOSISDBHSA-N 2 0 313.445 2.289 20 30 DEEDRP COC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303722588 685233619 /nfs/dbraw/zinc/23/36/19/685233619.db2.gz YJBGIHMTSRSPGS-OAHLLOKOSA-N 2 0 310.486 2.114 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001375515502 1158795726 /nfs/dbraw/zinc/79/57/26/1158795726.db2.gz KYNOTFMQCPOOJV-TUVASFSCSA-N 2 0 313.873 2.096 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1CCC(C#N)CC1 ZINC000930062747 694081437 /nfs/dbraw/zinc/08/14/37/694081437.db2.gz YHTBNGHCPXLAOF-KWXGJIJISA-N 2 0 305.466 2.500 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015840113 687438931 /nfs/dbraw/zinc/43/89/31/687438931.db2.gz TUSFVUSLPRZJGB-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP N#Cc1cc(F)ccc1N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000866704708 687659718 /nfs/dbraw/zinc/65/97/18/687659718.db2.gz XDCAILZHCAEMRY-UHFFFAOYSA-N 2 0 316.424 2.209 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016828051 687711735 /nfs/dbraw/zinc/71/17/35/687711735.db2.gz CEQUQWMCRYYUDY-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550293 687911209 /nfs/dbraw/zinc/91/12/09/687911209.db2.gz WWIKHUDPNRARGQ-XWTMOSNGSA-N 2 0 317.477 2.112 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051884 688039890 /nfs/dbraw/zinc/03/98/90/688039890.db2.gz KWCLUIXEVSSPRE-WNRNVDISSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001018849527 688243130 /nfs/dbraw/zinc/24/31/30/688243130.db2.gz YOHRTLXPNNFURE-AWEZNQCLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001019274938 688317998 /nfs/dbraw/zinc/31/79/98/688317998.db2.gz VQOMSDAKDIUAMB-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468525 688362860 /nfs/dbraw/zinc/36/28/60/688362860.db2.gz YZTRQNMLDQHCLW-GJZGRUSLSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001019810693 688412723 /nfs/dbraw/zinc/41/27/23/688412723.db2.gz FJWDDKQFBGNGFW-INIZCTEOSA-N 2 0 321.852 2.305 20 30 DEEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1=O ZINC000872157757 688941125 /nfs/dbraw/zinc/94/11/25/688941125.db2.gz QUMDZWRPPYEUBC-NJAFHUGGSA-N 2 0 319.493 2.393 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031707239 688983764 /nfs/dbraw/zinc/98/37/64/688983764.db2.gz VAYHJXDSGMLIPP-UHFFFAOYSA-N 2 0 307.463 2.047 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031918193 689020262 /nfs/dbraw/zinc/02/02/62/689020262.db2.gz AGTMHYDWUDUEHU-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001032442714 689152520 /nfs/dbraw/zinc/15/25/20/689152520.db2.gz CPBZTVGMKKVJOL-BZSNNMDCSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001032442715 689152648 /nfs/dbraw/zinc/15/26/48/689152648.db2.gz CPBZTVGMKKVJOL-SQNIBIBYSA-N 2 0 319.493 2.216 20 30 DEEDRP C[C@H]1C[C@H](C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC[NH2+]1 ZINC000873221448 689186742 /nfs/dbraw/zinc/18/67/42/689186742.db2.gz KMHQSPBJEPYFLQ-LSDHHAIUSA-N 2 0 316.424 2.207 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033350440 689473381 /nfs/dbraw/zinc/47/33/81/689473381.db2.gz BFLQBULGZYDZGR-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033898315 689655245 /nfs/dbraw/zinc/65/52/45/689655245.db2.gz PXTNPJPIQCKSJM-QGZVFWFLSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001034027081 689698359 /nfs/dbraw/zinc/69/83/59/689698359.db2.gz AZCIEOXETKFQKL-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238932 689776495 /nfs/dbraw/zinc/77/64/95/689776495.db2.gz OYCSMMFXJOQQBN-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034240957 689777411 /nfs/dbraw/zinc/77/74/11/689777411.db2.gz VHEULQUQZWAHCO-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285369 689794752 /nfs/dbraw/zinc/79/47/52/689794752.db2.gz CMRXWWSEAFSBLN-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397742 689836341 /nfs/dbraw/zinc/83/63/41/689836341.db2.gz LCKGMJUCXVNTPS-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474428 689863850 /nfs/dbraw/zinc/86/38/50/689863850.db2.gz KVLFSHNFFBMHSH-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034538247 689890931 /nfs/dbraw/zinc/89/09/31/689890931.db2.gz KBZWERBIDWVKDA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000876708811 689910924 /nfs/dbraw/zinc/91/09/24/689910924.db2.gz BHJUWFMQETVHLB-ZIAGYGMSSA-N 2 0 313.804 2.015 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000876724703 689915871 /nfs/dbraw/zinc/91/58/71/689915871.db2.gz GKGDLYFYULXAKU-KBPBESRZSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000876737504 689921884 /nfs/dbraw/zinc/92/18/84/689921884.db2.gz RWKNWMPZWBJGAM-AAEUAGOBSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000876777970 689934370 /nfs/dbraw/zinc/93/43/70/689934370.db2.gz UULGNPAOMGMSTD-HNNXBMFYSA-N 2 0 315.889 2.331 20 30 DEEDRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000877266881 690060738 /nfs/dbraw/zinc/06/07/38/690060738.db2.gz LWXGHZIIOJZTLN-KRWDZBQOSA-N 2 0 322.497 2.224 20 30 DEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035257286 690075891 /nfs/dbraw/zinc/07/58/91/690075891.db2.gz VUPIAQWMGSLAGB-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035716929 690159350 /nfs/dbraw/zinc/15/93/50/690159350.db2.gz BDDCKSGGYBMARI-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035725089 690161742 /nfs/dbraw/zinc/16/17/42/690161742.db2.gz FPRPNKKAUXRHLD-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814917 690183796 /nfs/dbraw/zinc/18/37/96/690183796.db2.gz VBOJIWDIBSJLCH-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826547 690186617 /nfs/dbraw/zinc/18/66/17/690186617.db2.gz PGAIKLHHFAUVEF-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035833996 690188625 /nfs/dbraw/zinc/18/86/25/690188625.db2.gz FHGFCUOTDUHNMK-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001036222964 690295146 /nfs/dbraw/zinc/29/51/46/690295146.db2.gz CTMIAPBSFJGMPY-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036852677 690498966 /nfs/dbraw/zinc/49/89/66/690498966.db2.gz HVOJRAWQTBZDNG-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001037904799 690637512 /nfs/dbraw/zinc/63/75/12/690637512.db2.gz LOMGMTFZNNENFM-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCN1CC[C@@H]([N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1=O ZINC000879703365 690710712 /nfs/dbraw/zinc/71/07/12/690710712.db2.gz JRBNMGFQTDORMY-QGZVFWFLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039373351 691091508 /nfs/dbraw/zinc/09/15/08/691091508.db2.gz PIWMSNYMWKLEMR-IXDOHACOSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001039437085 691105804 /nfs/dbraw/zinc/10/58/04/691105804.db2.gz AAUHTYRUKLWDIT-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040230807 691216746 /nfs/dbraw/zinc/21/67/46/691216746.db2.gz GBFYTXKXSUMWCE-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040243821 691219324 /nfs/dbraw/zinc/21/93/24/691219324.db2.gz CBLJQPNKDVAILB-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395885 691242726 /nfs/dbraw/zinc/24/27/26/691242726.db2.gz RCFWFNRYSRUTHN-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040527109 691261885 /nfs/dbraw/zinc/26/18/85/691261885.db2.gz FSTGPRHGIWNCKH-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040735279 691283576 /nfs/dbraw/zinc/28/35/76/691283576.db2.gz MQNZPXIVLPMHPA-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001040774971 691286565 /nfs/dbraw/zinc/28/65/65/691286565.db2.gz RKHFSJPDXIRRTO-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041445372 691376546 /nfs/dbraw/zinc/37/65/46/691376546.db2.gz KHXFBGJTOBANGJ-IBGZPJMESA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042154864 691524301 /nfs/dbraw/zinc/52/43/01/691524301.db2.gz AVWVFNBWUKCGCC-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297554 691560760 /nfs/dbraw/zinc/56/07/60/691560760.db2.gz QMBFOCHVOCYZQS-FUHWJXTLSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001042911640 691659801 /nfs/dbraw/zinc/65/98/01/691659801.db2.gz MEXDDLDBOSLYHP-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630266 691861533 /nfs/dbraw/zinc/86/15/33/691861533.db2.gz UMWRUKKNKJVJOT-KGLIPLIRSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001045478989 691987315 /nfs/dbraw/zinc/98/73/15/691987315.db2.gz LVDWCEFPEUPKOK-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585147 692001288 /nfs/dbraw/zinc/00/12/88/692001288.db2.gz NZJQUVUYFLKXJS-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045948171 692060744 /nfs/dbraw/zinc/06/07/44/692060744.db2.gz WUIWMRGPVLUWPL-MJGOQNOKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761653 692290912 /nfs/dbraw/zinc/29/09/12/692290912.db2.gz ZFPADZXHXQSUNE-IBGZPJMESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048975457 692734608 /nfs/dbraw/zinc/73/46/08/692734608.db2.gz ZKRNSNSDHPLRGF-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001049001317 692740780 /nfs/dbraw/zinc/74/07/80/692740780.db2.gz PAAOKLVZVJNTNU-OKZBNKHCSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049523441 692910738 /nfs/dbraw/zinc/91/07/38/692910738.db2.gz XWGNMEZTGBXWRW-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049525446 692912339 /nfs/dbraw/zinc/91/23/39/692912339.db2.gz QOMJHTMNRNHCIP-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001050068800 693099671 /nfs/dbraw/zinc/09/96/71/693099671.db2.gz JGHAXCFTCVZCDO-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095166 693107067 /nfs/dbraw/zinc/10/70/67/693107067.db2.gz BSAZQGWSJSITMB-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001050536317 693202676 /nfs/dbraw/zinc/20/26/76/693202676.db2.gz KLNCIZKVGAKREE-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001050536865 693202909 /nfs/dbraw/zinc/20/29/09/693202909.db2.gz OZSFBCHJPSOPJG-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001050617998 693217725 /nfs/dbraw/zinc/21/77/25/693217725.db2.gz OJYBKJHQRLHOQP-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001050630081 693218931 /nfs/dbraw/zinc/21/89/31/693218931.db2.gz JZYDXJDQVDJPSS-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050765627 693246951 /nfs/dbraw/zinc/24/69/51/693246951.db2.gz UBXHZQMNIURHJP-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000925843879 693351632 /nfs/dbraw/zinc/35/16/32/693351632.db2.gz HEEXHRVMCLYQOT-OAHLLOKOSA-N 2 0 318.440 2.423 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1 ZINC000925892432 693360989 /nfs/dbraw/zinc/36/09/89/693360989.db2.gz ARXYYLFWTNEOSI-IRXDYDNUSA-N 2 0 313.449 2.123 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052712004 693601115 /nfs/dbraw/zinc/60/11/15/693601115.db2.gz CMGDDFGBVSDTFZ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052859273 693634633 /nfs/dbraw/zinc/63/46/33/693634633.db2.gz KRDAKAYAQCYJAS-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001370667869 1149826446 /nfs/dbraw/zinc/82/64/46/1149826446.db2.gz CBIFBCGOUJYRHE-MJBXVCDLSA-N 2 0 301.862 2.096 20 30 DEEDRP C#CCC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001333095999 1149997148 /nfs/dbraw/zinc/99/71/48/1149997148.db2.gz VSMUNOUXOCCTTC-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)CN(C)CCCN(C)C(=O)C[C@H](C)n1ccnc1 ZINC001402655219 1162430225 /nfs/dbraw/zinc/43/02/25/1162430225.db2.gz LIHFZBNMCRZHTI-AWEZNQCLSA-N 2 0 312.845 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001402709207 1162446740 /nfs/dbraw/zinc/44/67/40/1162446740.db2.gz ZAFPUMYAIUVPQS-UHFFFAOYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001382135997 1153373731 /nfs/dbraw/zinc/37/37/31/1153373731.db2.gz QIJPTUWVJGUJDE-LSDHHAIUSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001389329270 1155311353 /nfs/dbraw/zinc/31/13/53/1155311353.db2.gz VVRXFGQHDRZYIN-CABCVRRESA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001393983716 1158135394 /nfs/dbraw/zinc/13/53/94/1158135394.db2.gz DQGBDHPBFXNKGT-ZIAGYGMSSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001406186458 1164498931 /nfs/dbraw/zinc/49/89/31/1164498931.db2.gz OKWVTQJVNULJKH-LSDHHAIUSA-N 2 0 313.873 2.002 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418441684 1167658033 /nfs/dbraw/zinc/65/80/33/1167658033.db2.gz KJWADTUJXPSDAX-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001419922976 1168935801 /nfs/dbraw/zinc/93/58/01/1168935801.db2.gz QUFUHTRXLPZDAW-HNNXBMFYSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001420087187 1169152495 /nfs/dbraw/zinc/15/24/95/1169152495.db2.gz MILIVWVNDDPYRM-UKRRQHHQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001444827751 1183576735 /nfs/dbraw/zinc/57/67/35/1183576735.db2.gz MJXXZRPBWHXNCZ-UKRRQHHQSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001444880883 1183617485 /nfs/dbraw/zinc/61/74/85/1183617485.db2.gz AJBZHYCZAJVTPI-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001332149085 1149825913 /nfs/dbraw/zinc/82/59/13/1149825913.db2.gz SWKJAEDNUGUHIR-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257048 782384752 /nfs/dbraw/zinc/38/47/52/782384752.db2.gz VGAFUOOZANDJQI-IAGOWNOFSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[N@@H+](C)CCN(C(=O)c1ccn2c(C)cnc2c1)C(C)C ZINC001332706704 1149882340 /nfs/dbraw/zinc/88/23/40/1149882340.db2.gz FZIXCSJKFSUEEZ-UHFFFAOYSA-N 2 0 312.417 2.058 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001333364179 1150040336 /nfs/dbraw/zinc/04/03/36/1150040336.db2.gz FHMGRHAUJLXFIR-UHFFFAOYSA-N 2 0 317.477 2.329 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001333398525 1150045426 /nfs/dbraw/zinc/04/54/26/1150045426.db2.gz AHJQIHNFERVFHO-SJORKVTESA-N 2 0 319.493 2.431 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001106772884 782928773 /nfs/dbraw/zinc/92/87/73/782928773.db2.gz XNQAMUHEUIGBTB-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106776397 782929593 /nfs/dbraw/zinc/92/95/93/782929593.db2.gz KVJDVHLMQIOYRJ-KZNAEPCWSA-N 2 0 321.509 2.060 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106778325 782930951 /nfs/dbraw/zinc/93/09/51/782930951.db2.gz GWNXYUHYUHSFCD-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947473857 783146354 /nfs/dbraw/zinc/14/63/54/783146354.db2.gz OUPFYFIKJWCXBW-HOCLYGCPSA-N 2 0 324.428 2.249 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493166 783159161 /nfs/dbraw/zinc/15/91/61/783159161.db2.gz UOAWKFUXKXMXBM-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385264 777228513 /nfs/dbraw/zinc/22/85/13/777228513.db2.gz LDINGMLBCRQXRP-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388222 777232847 /nfs/dbraw/zinc/23/28/47/777232847.db2.gz MKOKXPNCSIABJR-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573139 777917903 /nfs/dbraw/zinc/91/79/03/777917903.db2.gz JAYAEJHBQMNYAO-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104625644 777973798 /nfs/dbraw/zinc/97/37/98/777973798.db2.gz WQFHSTRWRPMSHX-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167754414 778416429 /nfs/dbraw/zinc/41/64/29/778416429.db2.gz PIAPVIQHOKWWFI-UHFFFAOYSA-N 2 0 316.449 2.213 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559798 778501972 /nfs/dbraw/zinc/50/19/72/778501972.db2.gz KAOXRVNJQRWCBY-HNNXBMFYSA-N 2 0 313.461 2.261 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749643 779437215 /nfs/dbraw/zinc/43/72/15/779437215.db2.gz SSINYOZKAPTJPR-RCCFBDPRSA-N 2 0 319.493 2.242 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999625 779624919 /nfs/dbraw/zinc/62/49/19/779624919.db2.gz UVNRUFFPWREMPE-SQNIBIBYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109673 779706945 /nfs/dbraw/zinc/70/69/45/779706945.db2.gz RQWDATIJLXPABA-IKGGRYGDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000985519302 779884289 /nfs/dbraw/zinc/88/42/89/779884289.db2.gz UBQBKOUXTGMLRT-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088424670 780106993 /nfs/dbraw/zinc/10/69/93/780106993.db2.gz CLDZQDXHFCPINF-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001088429957 780113749 /nfs/dbraw/zinc/11/37/49/780113749.db2.gz DZGSEVHANPTTMP-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203426397 780119583 /nfs/dbraw/zinc/11/95/83/780119583.db2.gz JPYIKCKIVLORMH-JKSUJKDBSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168137007 780211143 /nfs/dbraw/zinc/21/11/43/780211143.db2.gz KYHVGCSJDCTQLX-CVEARBPZSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168200890 780462285 /nfs/dbraw/zinc/46/22/85/780462285.db2.gz XCKCFQAHJCHGBC-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075906556 780533314 /nfs/dbraw/zinc/53/33/14/780533314.db2.gz QBLAMRDYHDWXRI-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091112238 790911054 /nfs/dbraw/zinc/91/10/54/790911054.db2.gz MMVDKIURUHHPOQ-OFLPRAFFSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642053 783313136 /nfs/dbraw/zinc/31/31/36/783313136.db2.gz AELAIWMFSXXULP-BZUAXINKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948554621 783500282 /nfs/dbraw/zinc/50/02/82/783500282.db2.gz XOSBQGRBEFJQDO-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001085225514 783590405 /nfs/dbraw/zinc/59/04/05/783590405.db2.gz ZKSDVUQLZOYUMM-GVDBMIGSSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085638877 783914725 /nfs/dbraw/zinc/91/47/25/783914725.db2.gz CEXZOVYRPOAZDI-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778819 784066805 /nfs/dbraw/zinc/06/68/05/784066805.db2.gz IEXYDOOGEDZXGL-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085783045 784074742 /nfs/dbraw/zinc/07/47/42/784074742.db2.gz LMPLFIMDZSHCLE-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086107499 784414407 /nfs/dbraw/zinc/41/44/07/784414407.db2.gz XQVBTNHAVUMSPL-SOLBZPMBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008299117 785166920 /nfs/dbraw/zinc/16/69/20/785166920.db2.gz NKUDBADGDYBEMK-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828554 785556956 /nfs/dbraw/zinc/55/69/56/785556956.db2.gz SPJZNHVTIBFZPD-BZSNNMDCSA-N 2 0 319.493 2.408 20 30 DEEDRP 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 785796760 /nfs/dbraw/zinc/79/67/60/785796760.db2.gz FWGSZJZMRSRDPM-ICUGJSFKSA-N 2 0 319.493 2.404 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171253412 791144721 /nfs/dbraw/zinc/14/47/21/791144721.db2.gz CUQZNSKVMKJZGB-DLBZAZTESA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533338 786125048 /nfs/dbraw/zinc/12/50/48/786125048.db2.gz HKTMOXCGYFHPIQ-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001112567568 786160748 /nfs/dbraw/zinc/16/07/48/786160748.db2.gz WYCAISARETUGLE-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113271387 786487759 /nfs/dbraw/zinc/48/77/59/786487759.db2.gz OMWDYFAQQNKZIT-UHFFFAOYSA-N 2 0 309.498 2.443 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001158549485 787953114 /nfs/dbraw/zinc/95/31/14/787953114.db2.gz GEKQOMLFYUCWMY-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097398892 788084134 /nfs/dbraw/zinc/08/41/34/788084134.db2.gz NHNDQKYPJRHBJW-XYPHTWIQSA-N 2 0 310.401 2.164 20 30 DEEDRP 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 788195489 /nfs/dbraw/zinc/19/54/89/788195489.db2.gz BGGLHPQRTKRPSE-AVEIZBFRSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097775501 788218702 /nfs/dbraw/zinc/21/87/02/788218702.db2.gz MDSLQYZYMHSPOI-ZACQAIPSSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133069122 788272832 /nfs/dbraw/zinc/27/28/32/788272832.db2.gz OWJBINYNINOHIP-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133084742 788276505 /nfs/dbraw/zinc/27/65/05/788276505.db2.gz XBBHBPPTCMBXFU-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133123043 788287917 /nfs/dbraw/zinc/28/79/17/788287917.db2.gz XYZDCMADVARUMQ-DLBZAZTESA-N 2 0 321.509 2.062 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133245449 788331747 /nfs/dbraw/zinc/33/17/47/788331747.db2.gz FCQJETUUGFZNJJ-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275142 788346460 /nfs/dbraw/zinc/34/64/60/788346460.db2.gz PYDFZMGELREGFD-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369908 788900703 /nfs/dbraw/zinc/90/07/03/788900703.db2.gz USLJCTUUHJXSNB-HZPDHXFCSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170752243 788939771 /nfs/dbraw/zinc/93/97/71/788939771.db2.gz YRUQTEBJPPJLOX-SJORKVTESA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584787 788989429 /nfs/dbraw/zinc/98/94/29/788989429.db2.gz XAXFRIYBGFQREO-STQMWFEESA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783012 789083232 /nfs/dbraw/zinc/08/32/32/789083232.db2.gz KEHWEHWCBNNESJ-JKSUJKDBSA-N 2 0 318.465 2.357 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103177 789198855 /nfs/dbraw/zinc/19/88/55/789198855.db2.gz XJZNNYKNFOUHGE-DLBZAZTESA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135900802 789552608 /nfs/dbraw/zinc/55/26/08/789552608.db2.gz BETPJIGBYPLBNJ-HOTGVXAUSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873449 789952812 /nfs/dbraw/zinc/95/28/12/789952812.db2.gz WNKMOCJKWLEGTQ-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001072798952 790249739 /nfs/dbraw/zinc/24/97/39/790249739.db2.gz CHXSFODGYTYKIS-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072813202 790256572 /nfs/dbraw/zinc/25/65/72/790256572.db2.gz IJMWBUZXMGGLOT-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397763 791278629 /nfs/dbraw/zinc/27/86/29/791278629.db2.gz IWOMPDRRXBOZNN-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146582404 791315594 /nfs/dbraw/zinc/31/55/94/791315594.db2.gz HCMXWVOZFJWWMP-GJZGRUSLSA-N 2 0 303.450 2.421 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146702434 791336250 /nfs/dbraw/zinc/33/62/50/791336250.db2.gz WNQKXUMSAGEWRO-CABCVRRESA-N 2 0 319.449 2.241 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148285351 791729846 /nfs/dbraw/zinc/72/98/46/791729846.db2.gz PZDSXHJXHIMVFD-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748408 791799922 /nfs/dbraw/zinc/79/99/22/791799922.db2.gz RQDIHTMIVVZZHI-QGZVFWFLSA-N 2 0 321.509 2.443 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856491 791894246 /nfs/dbraw/zinc/89/42/46/791894246.db2.gz SYKOXMXCAXOIQR-APWZRJJASA-N 2 0 324.428 2.304 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115872 792101975 /nfs/dbraw/zinc/10/19/75/792101975.db2.gz KWEYCTJJBMBXFW-SJORKVTESA-N 2 0 321.509 2.203 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099236203 792145814 /nfs/dbraw/zinc/14/58/14/792145814.db2.gz WZIYPRDBWPTTJN-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093218235 792293591 /nfs/dbraw/zinc/29/35/91/792293591.db2.gz PDUBNTZVOWJPBG-CRAIPNDOSA-N 2 0 315.461 2.232 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100418642 792638305 /nfs/dbraw/zinc/63/83/05/792638305.db2.gz DGWFPIAFKDCXHZ-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001100848353 792880826 /nfs/dbraw/zinc/88/08/26/792880826.db2.gz INZALSBQADHBOZ-UHFFFAOYSA-N 2 0 319.493 2.169 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101066888 792998697 /nfs/dbraw/zinc/99/86/97/792998697.db2.gz PTZDPRLKUCFBEZ-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400358 793144674 /nfs/dbraw/zinc/14/46/74/793144674.db2.gz SOZUXUTYTJPDFC-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418168 793149481 /nfs/dbraw/zinc/14/94/81/793149481.db2.gz CRFXDVSWXXCAES-LMMKCTJWSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474419 793171843 /nfs/dbraw/zinc/17/18/43/793171843.db2.gz YJGLGLYNJBMCHZ-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001101588528 793252299 /nfs/dbraw/zinc/25/22/99/793252299.db2.gz QNUOFKHRYRSACX-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171922672 793261396 /nfs/dbraw/zinc/26/13/96/793261396.db2.gz ANGWZTIPKPPKCT-AEFFLSMTSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061974 793492185 /nfs/dbraw/zinc/49/21/85/793492185.db2.gz PLFDVHBMEXOLKS-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472191 793625499 /nfs/dbraw/zinc/62/54/99/793625499.db2.gz NIYSVNQSJWXEJF-KURKYZTESA-N 2 0 321.509 2.060 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480066 793628452 /nfs/dbraw/zinc/62/84/52/793628452.db2.gz VOMUHXFHTUMIDI-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515425 793637935 /nfs/dbraw/zinc/63/79/35/793637935.db2.gz SCOCEYURCHDRHH-BRWVUGGUSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001174882788 794083103 /nfs/dbraw/zinc/08/31/03/794083103.db2.gz XHTLQFHYWDXFAB-DLBZAZTESA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439668 794094109 /nfs/dbraw/zinc/09/41/09/794094109.db2.gz NXDVJJBWOMERCB-IAGOWNOFSA-N 2 0 321.509 2.062 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174948381 794108598 /nfs/dbraw/zinc/10/85/98/794108598.db2.gz LGSXIJCLNADJIE-AWEZNQCLSA-N 2 0 315.889 2.345 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001175218885 794161801 /nfs/dbraw/zinc/16/18/01/794161801.db2.gz WVQPHGIKMHMXFF-IAGOWNOFSA-N 2 0 309.498 2.395 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723735 794202656 /nfs/dbraw/zinc/20/26/56/794202656.db2.gz ZRQCRWBOUWKGOJ-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175767763 794284645 /nfs/dbraw/zinc/28/46/45/794284645.db2.gz JJVBBVQUXXFJTP-AWEZNQCLSA-N 2 0 303.878 2.345 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192594 794371723 /nfs/dbraw/zinc/37/17/23/794371723.db2.gz NBQIAZPWUDIOMB-HNNXBMFYSA-N 2 0 316.449 2.049 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164323 794375112 /nfs/dbraw/zinc/37/51/12/794375112.db2.gz AJNNXBGJODDVCJ-GJZGRUSLSA-N 2 0 315.889 2.345 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746896 794486044 /nfs/dbraw/zinc/48/60/44/794486044.db2.gz OXWMCVQAJCGXHS-MRXNPFEDSA-N 2 0 315.461 2.260 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753296 794497588 /nfs/dbraw/zinc/49/75/88/794497588.db2.gz FHHCGACCPAJRNM-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001177341826 794644508 /nfs/dbraw/zinc/64/45/08/794644508.db2.gz CHNASKLXSNJPKN-SFHVURJKSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001115609806 794839971 /nfs/dbraw/zinc/83/99/71/794839971.db2.gz IQDKAWFDFGGPQI-UHFFFAOYSA-N 2 0 324.428 2.298 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760561 794910694 /nfs/dbraw/zinc/91/06/94/794910694.db2.gz NDYMHEZKIUWMFK-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688803 794974983 /nfs/dbraw/zinc/97/49/83/794974983.db2.gz OGEWOUUWUCABNJ-KRWDZBQOSA-N 2 0 309.498 2.417 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178811385 795002301 /nfs/dbraw/zinc/00/23/01/795002301.db2.gz UEARESFVMZLCBD-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178811123 795003048 /nfs/dbraw/zinc/00/30/48/795003048.db2.gz RILQKCYOLCMCML-ZWKOTPCHSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178946998 795036221 /nfs/dbraw/zinc/03/62/21/795036221.db2.gz BAEYSVAIWSZMBT-UHFFFAOYSA-N 2 0 312.417 2.237 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180076700 795236344 /nfs/dbraw/zinc/23/63/44/795236344.db2.gz DMJDITWSIZVJTA-UHFFFAOYSA-N 2 0 316.449 2.051 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180357663 795281463 /nfs/dbraw/zinc/28/14/63/795281463.db2.gz ZYRPGKPOXDUHAT-UHFFFAOYSA-N 2 0 307.482 2.152 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423231 795456883 /nfs/dbraw/zinc/45/68/83/795456883.db2.gz SEYCJLPTORCFID-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120470996 795467325 /nfs/dbraw/zinc/46/73/25/795467325.db2.gz VEPGDOZPGAOTPK-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001120834843 795540012 /nfs/dbraw/zinc/54/00/12/795540012.db2.gz OCXHEXVMDJAGAO-VFIJXHPYSA-N 2 0 319.493 2.452 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121245542 795607089 /nfs/dbraw/zinc/60/70/89/795607089.db2.gz HEWLOUOQNANOPC-RFSHTEQGSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001121835949 795693117 /nfs/dbraw/zinc/69/31/17/795693117.db2.gz ZVQKZRXFHMWCJC-QCAIOMPUSA-N 2 0 316.449 2.324 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589303 795711591 /nfs/dbraw/zinc/71/15/91/795711591.db2.gz BYWAUNJWFULELC-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614140 795722503 /nfs/dbraw/zinc/72/25/03/795722503.db2.gz CBOCNOVSDUBBOA-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001182932588 795785994 /nfs/dbraw/zinc/78/59/94/795785994.db2.gz BMJXQFPRHKSPFL-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121137 796490764 /nfs/dbraw/zinc/49/07/64/796490764.db2.gz DUFYUMZXPOWPDX-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187127697 796491324 /nfs/dbraw/zinc/49/13/24/796491324.db2.gz ZVBGIPJHJQSOBY-MRXNPFEDSA-N 2 0 307.482 2.243 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027105 796513042 /nfs/dbraw/zinc/51/30/42/796513042.db2.gz CMYPBGVGHGJGCP-HZPDHXFCSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921489 796602836 /nfs/dbraw/zinc/60/28/36/796602836.db2.gz JYGHBGZUNVHCLK-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189061761 796762131 /nfs/dbraw/zinc/76/21/31/796762131.db2.gz KYZISDDLPIUCJL-DLBZAZTESA-N 2 0 309.498 2.441 20 30 DEEDRP C=C(Cl)CN1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189892070 796906033 /nfs/dbraw/zinc/90/60/33/796906033.db2.gz XDBOYXQAGAUSMB-LSDHHAIUSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324333 796980455 /nfs/dbraw/zinc/98/04/55/796980455.db2.gz KNRLNCYAFWRDEB-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029471 797125691 /nfs/dbraw/zinc/12/56/91/797125691.db2.gz JCAAIENVNKXGAL-QGZVFWFLSA-N 2 0 316.449 2.017 20 30 DEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167698 797477233 /nfs/dbraw/zinc/47/72/33/797477233.db2.gz QLSWWBRFPHELQC-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001193381943 797556402 /nfs/dbraw/zinc/55/64/02/797556402.db2.gz CLWINHGAMMNSHG-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193488170 797574246 /nfs/dbraw/zinc/57/42/46/797574246.db2.gz LQGRCIXQXJOAJK-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001197158188 798157615 /nfs/dbraw/zinc/15/76/15/798157615.db2.gz KJQCWERMCBUOTH-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ncc[nH]1)C2 ZINC001110511397 798350471 /nfs/dbraw/zinc/35/04/71/798350471.db2.gz BEMBVGUFQOFUBH-KFWWJZLASA-N 2 0 302.422 2.030 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577803 798652883 /nfs/dbraw/zinc/65/28/83/798652883.db2.gz HHSBIWZDXSVTRP-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160500417 798695972 /nfs/dbraw/zinc/69/59/72/798695972.db2.gz NSKICGSZMTYJFC-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400540 798747776 /nfs/dbraw/zinc/74/77/76/798747776.db2.gz RCJYHXLLJGYYEC-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001201378486 798748333 /nfs/dbraw/zinc/74/83/33/798748333.db2.gz MEGATEAMOJWIFZ-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161863442 798951673 /nfs/dbraw/zinc/95/16/73/798951673.db2.gz QFYBMOREVPVMLM-QGZVFWFLSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667843 798954056 /nfs/dbraw/zinc/95/40/56/798954056.db2.gz MRQIQCPKHSTIIH-NCOADZHNSA-N 2 0 305.466 2.014 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409228 799093434 /nfs/dbraw/zinc/09/34/34/799093434.db2.gz IIPHFNDKJWTBSI-VSZNYVQBSA-N 2 0 321.509 2.343 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164501070 799610296 /nfs/dbraw/zinc/61/02/96/799610296.db2.gz QEWPGVZSOBSDLD-KRWDZBQOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554402 799621085 /nfs/dbraw/zinc/62/10/85/799621085.db2.gz BRMWFYYRESJTSF-QGZVFWFLSA-N 2 0 319.493 2.171 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533936 799650369 /nfs/dbraw/zinc/65/03/69/799650369.db2.gz UOWLYXSFCFKZEV-VSZNYVQBSA-N 2 0 317.477 2.301 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606275 799669775 /nfs/dbraw/zinc/66/97/75/799669775.db2.gz ZTTDWLMQCLDXAQ-IKGGRYGDSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001165291819 799698126 /nfs/dbraw/zinc/69/81/26/799698126.db2.gz GKAKGRDYNLCCBL-UHFFFAOYSA-N 2 0 321.490 2.485 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472551 799735658 /nfs/dbraw/zinc/73/56/58/799735658.db2.gz MSDPAYRPUUZRTN-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP 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 799833227 /nfs/dbraw/zinc/83/32/27/799833227.db2.gz JWJOHVJKMSUALP-VQHPVUNQSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203315841 800036624 /nfs/dbraw/zinc/03/66/24/800036624.db2.gz BPDFUYHBZBKSBC-CVEARBPZSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203460871 800051589 /nfs/dbraw/zinc/05/15/89/800051589.db2.gz CNXHOQBGYURUTO-DLBZAZTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518607 800366934 /nfs/dbraw/zinc/36/69/34/800366934.db2.gz DKOFYPYNMMZVSH-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519127 800367938 /nfs/dbraw/zinc/36/79/38/800367938.db2.gz WOGPMDDHUUMARC-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP CSc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1C#N ZINC001205627576 800390125 /nfs/dbraw/zinc/39/01/25/800390125.db2.gz QXQVFGPOIXQZAY-OLZOCXBDSA-N 2 0 304.463 2.482 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206176245 800484828 /nfs/dbraw/zinc/48/48/28/800484828.db2.gz JJNOJPVARPEJGK-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547112 800552008 /nfs/dbraw/zinc/55/20/08/800552008.db2.gz CZXVUQIOGSGIEB-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206928940 800631603 /nfs/dbraw/zinc/63/16/03/800631603.db2.gz NZIMHCUWXRHXDW-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206929184 800631687 /nfs/dbraw/zinc/63/16/87/800631687.db2.gz XWTVPPVIHZPTTA-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950182 800639138 /nfs/dbraw/zinc/63/91/38/800639138.db2.gz FEYGDPWISIIXIO-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968666 800643236 /nfs/dbraw/zinc/64/32/36/800643236.db2.gz SRYMJQSVALKACD-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCOCc1ncn2c1C[N@H+](CC1CC[NH+](C)CC1)CCC2 ZINC001207396757 800743425 /nfs/dbraw/zinc/74/34/25/800743425.db2.gz STUBFZGVTQVVIC-UHFFFAOYSA-N 2 0 318.465 2.133 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567847 800781225 /nfs/dbraw/zinc/78/12/25/800781225.db2.gz CHJZVPPHUGKSIG-BFYDXBDKSA-N 2 0 307.482 2.262 20 30 DEEDRP CC[NH+]1CCC(C[NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001208601944 801025191 /nfs/dbraw/zinc/02/51/91/801025191.db2.gz UHRSFKCQKQQDNW-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208747524 801061864 /nfs/dbraw/zinc/06/18/64/801061864.db2.gz CHWLDMATDCPQAL-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208768113 801066047 /nfs/dbraw/zinc/06/60/47/801066047.db2.gz DJUQSIZDCZZINW-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP CC[NH+](CC)CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208920756 801093604 /nfs/dbraw/zinc/09/36/04/801093604.db2.gz OPVFQUNXJLOBJC-UHFFFAOYSA-N 2 0 314.477 2.060 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209206128 801151354 /nfs/dbraw/zinc/15/13/54/801151354.db2.gz YAIDKWKZBABBND-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCC(C)(C)OC)CC1 ZINC001209409634 801186111 /nfs/dbraw/zinc/18/61/11/801186111.db2.gz QEEJGTTYQDXTDK-UHFFFAOYSA-N 2 0 309.498 2.093 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209950267 801312099 /nfs/dbraw/zinc/31/20/99/801312099.db2.gz DMKZEYRUMIWQDB-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001230141582 801365472 /nfs/dbraw/zinc/36/54/72/801365472.db2.gz BFPTZOBEWMVOQF-APWZRJJASA-N 2 0 319.493 2.408 20 30 DEEDRP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262832 801378790 /nfs/dbraw/zinc/37/87/90/801378790.db2.gz UXOPLHCONFBPPZ-INIZCTEOSA-N 2 0 309.498 2.489 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230618402 801438122 /nfs/dbraw/zinc/43/81/22/801438122.db2.gz MMDDBBIYZXLFBS-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211233272 801534406 /nfs/dbraw/zinc/53/44/06/801534406.db2.gz ANYDUCYLXKHSAL-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350006 801550717 /nfs/dbraw/zinc/55/07/17/801550717.db2.gz MHMNJMCTARRIBY-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367098 801555551 /nfs/dbraw/zinc/55/55/51/801555551.db2.gz NXVCZWKMJKJLEA-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211375838 801556824 /nfs/dbraw/zinc/55/68/24/801556824.db2.gz AWKSDPXNHVOWKK-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752424 802021940 /nfs/dbraw/zinc/02/19/40/802021940.db2.gz OFPFYTXGOWKBJG-BRWVUGGUSA-N 2 0 309.498 2.345 20 30 DEEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001219112879 802284003 /nfs/dbraw/zinc/28/40/03/802284003.db2.gz YKTYEZDMEDRHSK-HNNXBMFYSA-N 2 0 320.412 2.440 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962674 802629654 /nfs/dbraw/zinc/62/96/54/802629654.db2.gz PHYLWPPAKDQSDY-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001223024152 802759495 /nfs/dbraw/zinc/75/94/95/802759495.db2.gz SULSIZDEPZMHPP-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223472881 802792851 /nfs/dbraw/zinc/79/28/51/802792851.db2.gz XIVFYLBHQVDZPT-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500932 802796204 /nfs/dbraw/zinc/79/62/04/802796204.db2.gz ZIAKJRBCTUWZRV-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227329 802848762 /nfs/dbraw/zinc/84/87/62/802848762.db2.gz HVLZNHMPLLFQAK-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225168025 802941389 /nfs/dbraw/zinc/94/13/89/802941389.db2.gz JXLUKCQRRINVSN-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225463445 802969918 /nfs/dbraw/zinc/96/99/18/802969918.db2.gz FMFHGPRVHFEFJY-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703944 803268418 /nfs/dbraw/zinc/26/84/18/803268418.db2.gz OXIIJCGTZNNWQQ-KURKYZTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227833167 803286049 /nfs/dbraw/zinc/28/60/49/803286049.db2.gz UXVJSOXBMZNVEX-HNNXBMFYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001228834530 803419583 /nfs/dbraw/zinc/41/95/83/803419583.db2.gz MXMIIKNJUNTYIN-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001331226192 1149399511 /nfs/dbraw/zinc/39/95/11/1149399511.db2.gz OSPKZBLMGKZCKH-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001327252413 1148405219 /nfs/dbraw/zinc/40/52/19/1148405219.db2.gz OXDQLTCNGHZGTQ-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCC1 ZINC001500094606 1058487343 /nfs/dbraw/zinc/48/73/43/1058487343.db2.gz DAHIFWXVGAWRMP-KRWDZBQOSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001500131181 1058513595 /nfs/dbraw/zinc/51/35/95/1058513595.db2.gz KRIKJVWFANYRKA-ROUUACIJSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001500163265 1058535197 /nfs/dbraw/zinc/53/51/97/1058535197.db2.gz UOFXGAUVXHCHPQ-LJQANCHMSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001500347413 1058713656 /nfs/dbraw/zinc/71/36/56/1058713656.db2.gz FRLGDGNGXUPTPT-LZLYRXPVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001500501533 1058858806 /nfs/dbraw/zinc/85/88/06/1058858806.db2.gz BFFSWPFYKLFOOL-GOSISDBHSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001501182076 1059357072 /nfs/dbraw/zinc/35/70/72/1059357072.db2.gz ZZUJHVUVJSTWNF-BZSNNMDCSA-N 2 0 321.509 2.108 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001502829014 1060335493 /nfs/dbraw/zinc/33/54/93/1060335493.db2.gz LXCKVTXGDKRHBF-HOTGVXAUSA-N 2 0 309.498 2.365 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001505784506 1060959872 /nfs/dbraw/zinc/95/98/72/1060959872.db2.gz LVFLEDHKLPCDPZ-VYMRPNJYSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479519467 1061487646 /nfs/dbraw/zinc/48/76/46/1061487646.db2.gz LPWYCBWUGWORRD-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479739276 1061668853 /nfs/dbraw/zinc/66/88/53/1061668853.db2.gz WNDLUXKWVOEKBL-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001506377126 1061908157 /nfs/dbraw/zinc/90/81/57/1061908157.db2.gz AQDYVROZGOTZNF-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479981325 1062141820 /nfs/dbraw/zinc/14/18/20/1062141820.db2.gz OJXNPXDFMIURAU-ZACQAIPSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480267876 1062572125 /nfs/dbraw/zinc/57/21/25/1062572125.db2.gz STARFOSSLCVIBV-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001506990764 1062642624 /nfs/dbraw/zinc/64/26/24/1062642624.db2.gz UCDFRSVJHGQBLA-YESZJQIVSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507014923 1062676799 /nfs/dbraw/zinc/67/67/99/1062676799.db2.gz KKLJFBSMIZBGSS-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507015857 1062678494 /nfs/dbraw/zinc/67/84/94/1062678494.db2.gz OLQGICXWDLYDNW-INIZCTEOSA-N 2 0 305.466 2.018 20 30 DEEDRP 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 1062798012 /nfs/dbraw/zinc/79/80/12/1062798012.db2.gz QZCPPOWEYVQDOE-NNPSNHGLSA-N 2 0 319.493 2.119 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001327271666 1148509229 /nfs/dbraw/zinc/50/92/29/1148509229.db2.gz RWXWGQWQLAWPOE-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001507399595 1063228806 /nfs/dbraw/zinc/22/88/06/1063228806.db2.gz AYYKIQKRSOVGDT-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001507442781 1063289427 /nfs/dbraw/zinc/28/94/27/1063289427.db2.gz JQELIPAKHMIDAU-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001508120470 1063564375 /nfs/dbraw/zinc/56/43/75/1063564375.db2.gz KFMIQVMOUNUDOK-UHFFFAOYSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508231300 1063624433 /nfs/dbraw/zinc/62/44/33/1063624433.db2.gz XSMDMLRUCDGFQD-SFHVURJKSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001493381046 1063759126 /nfs/dbraw/zinc/75/91/26/1063759126.db2.gz MBBUUGUXMRSBBF-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494136429 1064135146 /nfs/dbraw/zinc/13/51/46/1064135146.db2.gz DDAYKLLONRBFHB-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001567571215 1064259446 /nfs/dbraw/zinc/25/94/46/1064259446.db2.gz PPCJGBNIFFJLRV-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001494567024 1064320967 /nfs/dbraw/zinc/32/09/67/1064320967.db2.gz NRVKDWGCZWBSSY-KRWDZBQOSA-N 2 0 309.498 2.489 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001567666000 1064327260 /nfs/dbraw/zinc/32/72/60/1064327260.db2.gz PTYRBEIWRFHGSG-ROUUACIJSA-N 2 0 315.461 2.043 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001568008090 1064591619 /nfs/dbraw/zinc/59/16/19/1064591619.db2.gz LTVGPDGWLNVZRC-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCCC1 ZINC001568344206 1064793409 /nfs/dbraw/zinc/79/34/09/1064793409.db2.gz WXWXOGGULFYJND-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001495388553 1064874144 /nfs/dbraw/zinc/87/41/44/1064874144.db2.gz RKVKRWPCETWCEE-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001495397502 1064880204 /nfs/dbraw/zinc/88/02/04/1064880204.db2.gz RETVFCUWAVTSCN-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568535575 1064947195 /nfs/dbraw/zinc/94/71/95/1064947195.db2.gz FQRVDRHVOACOAB-HZPDHXFCSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001495521433 1064963641 /nfs/dbraw/zinc/96/36/41/1064963641.db2.gz VGCQPIVHGBLMRF-UHFFFAOYSA-N 2 0 319.493 2.267 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001496350406 1065420955 /nfs/dbraw/zinc/42/09/55/1065420955.db2.gz HRWJCIRTCHLPOG-KSSFIOAISA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386058 1065482623 /nfs/dbraw/zinc/48/26/23/1065482623.db2.gz IYGASXUBDZCEMX-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001569448983 1065512554 /nfs/dbraw/zinc/51/25/54/1065512554.db2.gz PJRROSOXERQYGH-SJORKVTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001569481202 1065533604 /nfs/dbraw/zinc/53/36/04/1065533604.db2.gz QJQCTEDBRPPDDO-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001569609697 1065620725 /nfs/dbraw/zinc/62/07/25/1065620725.db2.gz KPHZFDMFBMVCEC-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001569821897 1065742863 /nfs/dbraw/zinc/74/28/63/1065742863.db2.gz UCDNQTKBYCBQRF-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001496903821 1065790631 /nfs/dbraw/zinc/79/06/31/1065790631.db2.gz JJALYZRVAWJZED-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001569920497 1065824010 /nfs/dbraw/zinc/82/40/10/1065824010.db2.gz QXTREOWRIUUURN-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570014048 1065882897 /nfs/dbraw/zinc/88/28/97/1065882897.db2.gz XDQDHJPAHCMGBJ-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001570106923 1065927335 /nfs/dbraw/zinc/92/73/35/1065927335.db2.gz MUNOGXAIHFEYCL-MRXNPFEDSA-N 2 0 305.466 2.208 20 30 DEEDRP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001570184940 1065960442 /nfs/dbraw/zinc/96/04/42/1065960442.db2.gz BAKCQUYLKQITKM-SFHVURJKSA-N 2 0 321.509 2.493 20 30 DEEDRP C=CCCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497210694 1065964293 /nfs/dbraw/zinc/96/42/93/1065964293.db2.gz WEPKWPCLQQHIFQ-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001628586158 1078299796 /nfs/dbraw/zinc/29/97/96/1078299796.db2.gz VOYOKLFJINWJOF-HOCLYGCPSA-N 2 0 321.490 2.365 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001499370849 1067199744 /nfs/dbraw/zinc/19/97/44/1067199744.db2.gz CQRALZBSTIFYTK-MRXNPFEDSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267107666 1078584914 /nfs/dbraw/zinc/58/49/14/1078584914.db2.gz IUVNSKCPZNOURS-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001483615251 1078628027 /nfs/dbraw/zinc/62/80/27/1078628027.db2.gz LLJQKDWWNXIREW-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001570620202 1068040472 /nfs/dbraw/zinc/04/04/72/1068040472.db2.gz BRMQIFFAFNVBMF-HOTGVXAUSA-N 2 0 317.477 2.463 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571152692 1068187695 /nfs/dbraw/zinc/18/76/95/1068187695.db2.gz QDFZABGIGVUQOA-ZOBUZTSGSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001571326489 1068222879 /nfs/dbraw/zinc/22/28/79/1068222879.db2.gz VRLYNGKUHIDHDM-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001571352705 1068242559 /nfs/dbraw/zinc/24/25/59/1068242559.db2.gz YBKKDUMAYPZQMA-AEFFLSMTSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001571390573 1068270319 /nfs/dbraw/zinc/27/03/19/1068270319.db2.gz JIUCKHSHGGODHR-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001571413538 1068283014 /nfs/dbraw/zinc/28/30/14/1068283014.db2.gz VUPCNBFVNKGFEX-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001267254114 1078699932 /nfs/dbraw/zinc/69/99/32/1078699932.db2.gz DKJZKELXSYKRJC-GOSISDBHSA-N 2 0 315.461 2.141 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001571549625 1068414390 /nfs/dbraw/zinc/41/43/90/1068414390.db2.gz FBXBEWJUYIKAHA-IAGOWNOFSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001571565297 1068423656 /nfs/dbraw/zinc/42/36/56/1068423656.db2.gz WBWLMFQAZKSMNE-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001279631648 1078728377 /nfs/dbraw/zinc/72/83/77/1078728377.db2.gz ZVNGWHIPECVKPF-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267293144 1078739639 /nfs/dbraw/zinc/73/96/39/1078739639.db2.gz MNMHDLRKPWFTAK-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001267308971 1078754905 /nfs/dbraw/zinc/75/49/05/1078754905.db2.gz IEVYPRHMIKFXDS-SFHVURJKSA-N 2 0 315.461 2.133 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001267328192 1078767918 /nfs/dbraw/zinc/76/79/18/1078767918.db2.gz NEPLWDWWDSPTCB-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001267334870 1078773366 /nfs/dbraw/zinc/77/33/66/1078773366.db2.gz TYPPQNZPXCZPML-ZWKOTPCHSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001521462342 1069244150 /nfs/dbraw/zinc/24/41/50/1069244150.db2.gz DCMWMXWDYGQHBJ-QAPCUYQASA-N 2 0 315.461 2.233 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC001574835655 1069274664 /nfs/dbraw/zinc/27/46/64/1069274664.db2.gz DBFZRYCSTQHLRR-CQSZACIVSA-N 2 0 301.434 2.477 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272477701 1078912216 /nfs/dbraw/zinc/91/22/16/1078912216.db2.gz AFHYQBHQWDPEKP-SFHVURJKSA-N 2 0 309.498 2.443 20 30 DEEDRP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484058942 1079274968 /nfs/dbraw/zinc/27/49/68/1079274968.db2.gz ZILPVZWELQLLPZ-XYJFISCASA-N 2 0 307.482 2.264 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001646514880 1074466507 /nfs/dbraw/zinc/46/65/07/1074466507.db2.gz QTKPEQZMQBTJMZ-IBGZPJMESA-N 2 0 322.412 2.245 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2ccnc2)C1 ZINC001484074647 1079288353 /nfs/dbraw/zinc/28/83/53/1079288353.db2.gz TWMKCBBOBQWQCB-QGZVFWFLSA-N 2 0 306.454 2.434 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420077935 1079327856 /nfs/dbraw/zinc/32/78/56/1079327856.db2.gz CKZUTEUDXAPONN-ZIAGYGMSSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566122301 1075231258 /nfs/dbraw/zinc/23/12/58/1075231258.db2.gz SJNPHLNQBUTPHQ-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001566553506 1075279208 /nfs/dbraw/zinc/27/92/08/1075279208.db2.gz WHUIDGVVERWCIA-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566625477 1075299822 /nfs/dbraw/zinc/29/98/22/1075299822.db2.gz JWJLQNBIAPAZPV-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001566878166 1075371749 /nfs/dbraw/zinc/37/17/49/1075371749.db2.gz NBSVGMBQECXAMI-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566966333 1075403007 /nfs/dbraw/zinc/40/30/07/1075403007.db2.gz UFNQJXCYUDWBIB-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001566990942 1075409825 /nfs/dbraw/zinc/40/98/25/1075409825.db2.gz BECFUJAOYCERDK-GTPINHCMSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267745679 1079445469 /nfs/dbraw/zinc/44/54/69/1079445469.db2.gz BDOPVGSAIMSCTH-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267769180 1079474674 /nfs/dbraw/zinc/47/46/74/1079474674.db2.gz AUOIDIKXXGAINT-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CCNC(=O)Cn2ccnc2C)CC1 ZINC001267948854 1079627197 /nfs/dbraw/zinc/62/71/97/1079627197.db2.gz WPOCDQDQEKHHEM-UHFFFAOYSA-N 2 0 318.465 2.376 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001484527748 1079641337 /nfs/dbraw/zinc/64/13/37/1079641337.db2.gz XXWJXGNDVRMNLS-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001484568286 1079665320 /nfs/dbraw/zinc/66/53/20/1079665320.db2.gz HMOUEZPFQOZQFP-BZSNNMDCSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001484663011 1079716518 /nfs/dbraw/zinc/71/65/18/1079716518.db2.gz DIANBJFDGUVHPW-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCCC)CC2)CC1 ZINC001484928676 1079859554 /nfs/dbraw/zinc/85/95/54/1079859554.db2.gz YNHHCGWGMBACKB-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP CC(C)(C)[NH+]1CCC([NH2+]CCNc2ncccc2C#N)CC1 ZINC001653287939 1079923956 /nfs/dbraw/zinc/92/39/56/1079923956.db2.gz MCMZMYGJXVKWSQ-UHFFFAOYSA-N 2 0 301.438 2.218 20 30 DEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001485045473 1079928469 /nfs/dbraw/zinc/92/84/69/1079928469.db2.gz YRRSXYVTTWWMLU-IEBWSBKVSA-N 2 0 315.461 2.276 20 30 DEEDRP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001485034351 1079929561 /nfs/dbraw/zinc/92/95/61/1079929561.db2.gz XAOSKBPUUNFOGW-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001485067179 1079943887 /nfs/dbraw/zinc/94/38/87/1079943887.db2.gz IZMWMCCRRNOFST-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481489335 1079947417 /nfs/dbraw/zinc/94/74/17/1079947417.db2.gz PKXLNUFMMITTSY-IRXDYDNUSA-N 2 0 309.498 2.319 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001268173973 1080164266 /nfs/dbraw/zinc/16/42/66/1080164266.db2.gz GOOVSDKAPGCNCF-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001485434131 1080205078 /nfs/dbraw/zinc/20/50/78/1080205078.db2.gz JXXHHDKOCUOBAO-ROUUACIJSA-N 2 0 321.509 2.203 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268286531 1080265588 /nfs/dbraw/zinc/26/55/88/1080265588.db2.gz KZVIJPOZYKZEHR-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001485658364 1080350759 /nfs/dbraw/zinc/35/07/59/1080350759.db2.gz SFDJAPGYLUMQDQ-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC001485657720 1080359440 /nfs/dbraw/zinc/35/94/40/1080359440.db2.gz NASGZRTYKYZDMY-ULQDDVLXSA-N 2 0 316.449 2.066 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC001485657719 1080359582 /nfs/dbraw/zinc/35/95/82/1080359582.db2.gz NASGZRTYKYZDMY-GVDBMIGSSA-N 2 0 316.449 2.066 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494054526 1080371059 /nfs/dbraw/zinc/37/10/59/1080371059.db2.gz KMNPSTYBGUGCIQ-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001485702570 1080384549 /nfs/dbraw/zinc/38/45/49/1080384549.db2.gz WTNUUILRJZDOHN-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001485740143 1080402292 /nfs/dbraw/zinc/40/22/92/1080402292.db2.gz HYQVTDYIMRZOLD-SJORKVTESA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001661235832 1080460308 /nfs/dbraw/zinc/46/03/08/1080460308.db2.gz PPDYHPYKWUDKJM-GOSISDBHSA-N 2 0 319.493 2.056 20 30 DEEDRP 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 1080464807 /nfs/dbraw/zinc/46/48/07/1080464807.db2.gz ZJIIKLWMTNWINW-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001661496387 1080486945 /nfs/dbraw/zinc/48/69/45/1080486945.db2.gz VYYYVPOGULSVLU-IYARVYRRSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001661929671 1080546666 /nfs/dbraw/zinc/54/66/66/1080546666.db2.gz ISKYVHXPYPLVFW-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001481900299 1080590909 /nfs/dbraw/zinc/59/09/09/1080590909.db2.gz SYUNKLWEFJWQEB-IRXDYDNUSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001481910687 1080599438 /nfs/dbraw/zinc/59/94/38/1080599438.db2.gz WHCCIMISIAQUSP-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001662690652 1080634798 /nfs/dbraw/zinc/63/47/98/1080634798.db2.gz JDBGCINLUQAZSI-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001663507695 1080762680 /nfs/dbraw/zinc/76/26/80/1080762680.db2.gz CBLNYZIPADRNDL-INIZCTEOSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482061231 1080765793 /nfs/dbraw/zinc/76/57/93/1080765793.db2.gz XDWZSLXGPLDASR-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001664467140 1080913754 /nfs/dbraw/zinc/91/37/54/1080913754.db2.gz FUCLLZWURDFWRG-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001664677398 1080940328 /nfs/dbraw/zinc/94/03/28/1080940328.db2.gz ADYAVHMFAXAHAM-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664818265 1080966140 /nfs/dbraw/zinc/96/61/40/1080966140.db2.gz RKFXCOMRHKPMER-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001665731375 1081072436 /nfs/dbraw/zinc/07/24/36/1081072436.db2.gz LFZWVEXMUFAANN-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001665810083 1081084718 /nfs/dbraw/zinc/08/47/18/1081084718.db2.gz OFPLXGNIRSEHDZ-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001667129228 1081213985 /nfs/dbraw/zinc/21/39/85/1081213985.db2.gz CXYVPINRYHLEDY-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001667215755 1081226222 /nfs/dbraw/zinc/22/62/22/1081226222.db2.gz AMYLYNLQVQKAQC-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222461 1081259874 /nfs/dbraw/zinc/25/98/74/1081259874.db2.gz LRBKJSKSPAYODY-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667648195 1081271750 /nfs/dbraw/zinc/27/17/50/1081271750.db2.gz YCRGLMIYRVIHFT-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111309717 1081293061 /nfs/dbraw/zinc/29/30/61/1081293061.db2.gz WDAPJCQEGMBXEA-VQHPVUNQSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001269570705 1081293189 /nfs/dbraw/zinc/29/31/89/1081293189.db2.gz QGLIMBYLWPSKTH-ALOPSCKCSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CCCCCC1 ZINC001269611577 1081309629 /nfs/dbraw/zinc/30/96/29/1081309629.db2.gz MXVCCBALIFWRCZ-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(NC(=O)Cn2ccnc2)CCCC[C@H]1C ZINC001269678226 1081330932 /nfs/dbraw/zinc/33/09/32/1081330932.db2.gz ZYAWCTUSZQLPMM-WBVHZDCISA-N 2 0 304.438 2.114 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001668321109 1081341281 /nfs/dbraw/zinc/34/12/81/1081341281.db2.gz WRQUUJMURYLQHE-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001269867005 1081385733 /nfs/dbraw/zinc/38/57/33/1081385733.db2.gz OIMPJEQZIQWSPT-MRXNPFEDSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001270118301 1081454589 /nfs/dbraw/zinc/45/45/89/1081454589.db2.gz LWWBDCZAXYOGHA-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482283066 1081509892 /nfs/dbraw/zinc/50/98/92/1081509892.db2.gz CDOPKQOIIAWEAU-KBPBESRZSA-N 2 0 301.862 2.048 20 30 DEEDRP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC)CC1 ZINC001671504185 1081520045 /nfs/dbraw/zinc/52/00/45/1081520045.db2.gz QWTUORFOOWDJQZ-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001671569751 1081523961 /nfs/dbraw/zinc/52/39/61/1081523961.db2.gz MZJRCGMSZPGFGN-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001673651410 1081788446 /nfs/dbraw/zinc/78/84/46/1081788446.db2.gz VEPOFFVJFAKTGV-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001673997006 1081822226 /nfs/dbraw/zinc/82/22/26/1081822226.db2.gz HDILTIFRMOLAPU-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674685910 1081905351 /nfs/dbraw/zinc/90/53/51/1081905351.db2.gz BJQNNUOYFDGNJX-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251637 1081917932 /nfs/dbraw/zinc/91/79/32/1081917932.db2.gz DTNNUOAYKIEJPF-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001271460006 1082053951 /nfs/dbraw/zinc/05/39/51/1082053951.db2.gz YCYRRMHAWBWHKW-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001266494801 1082074399 /nfs/dbraw/zinc/07/43/99/1082074399.db2.gz AEAUVAGEQWSQOS-ZWKOTPCHSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266513973 1082095564 /nfs/dbraw/zinc/09/55/64/1082095564.db2.gz JTJRODFFMVJMTI-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271653942 1082100750 /nfs/dbraw/zinc/10/07/50/1082100750.db2.gz AQZZCQKXAREHLT-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283297351 1082469200 /nfs/dbraw/zinc/46/92/00/1082469200.db2.gz XZTLMYSIBMIIOA-NVXWUHKLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482864271 1082535096 /nfs/dbraw/zinc/53/50/96/1082535096.db2.gz HZAJIOZKYULMAC-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001276858691 1083649921 /nfs/dbraw/zinc/64/99/21/1083649921.db2.gz LVHLVWRBOVZWKR-KDURUIRLSA-N 2 0 312.461 2.077 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001490902007 1083874357 /nfs/dbraw/zinc/87/43/57/1083874357.db2.gz BFFVDKDLCZLRPS-QBPKDAKJSA-N 2 0 305.466 2.206 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001272762593 1083957544 /nfs/dbraw/zinc/95/75/44/1083957544.db2.gz AJBBKGBVHNSYDB-IYARVYRRSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001277592274 1084048243 /nfs/dbraw/zinc/04/82/43/1084048243.db2.gz XZHUYLDDCCQHBB-SJORKVTESA-N 2 0 307.482 2.003 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001277662739 1084082655 /nfs/dbraw/zinc/08/26/55/1084082655.db2.gz NFKJLGXASLPSPD-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001491361192 1084257049 /nfs/dbraw/zinc/25/70/49/1084257049.db2.gz NKHIHSMMRBLWNH-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001078768855 1084863966 /nfs/dbraw/zinc/86/39/66/1084863966.db2.gz XNPMERWCJOQEHK-IRXDYDNUSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001486129614 1085078770 /nfs/dbraw/zinc/07/87/70/1085078770.db2.gz NKVBHEJKDVOUJL-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001486166793 1085101705 /nfs/dbraw/zinc/10/17/05/1085101705.db2.gz NLQCKFTUVRDLJJ-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486211002 1085143319 /nfs/dbraw/zinc/14/33/19/1085143319.db2.gz SENXHDLWCNCTIG-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000964030679 1085153732 /nfs/dbraw/zinc/15/37/32/1085153732.db2.gz UWGSAMSRHKMUME-VIIJNVHASA-N 2 0 317.477 2.206 20 30 DEEDRP CC#CCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966075279 1085780621 /nfs/dbraw/zinc/78/06/21/1085780621.db2.gz KEUIACUVOFUYQP-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001273143220 1086664609 /nfs/dbraw/zinc/66/46/09/1086664609.db2.gz DEJXMMURIBEQHY-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957644806 1088490509 /nfs/dbraw/zinc/49/05/09/1088490509.db2.gz IQOCUYIFUBQRQM-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001204372315 1088633223 /nfs/dbraw/zinc/63/32/23/1088633223.db2.gz BRKDAAGUNMHMIM-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114835711 1088962751 /nfs/dbraw/zinc/96/27/51/1088962751.db2.gz OUQXCKZKJITSLK-VXNCWWDNSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080456174 1088968406 /nfs/dbraw/zinc/96/84/06/1088968406.db2.gz RDWRDPJPGNDJLL-CRAIPNDOSA-N 2 0 315.461 2.027 20 30 DEEDRP 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 ZINC001114840423 1089028719 /nfs/dbraw/zinc/02/87/19/1089028719.db2.gz KLZMGOJWHIOXBY-LISAXSMJSA-N 2 0 321.509 2.365 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001080999723 1089272643 /nfs/dbraw/zinc/27/26/43/1089272643.db2.gz FOZVCKJAZWQOBA-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476378 1090308373 /nfs/dbraw/zinc/30/83/73/1090308373.db2.gz WAORNWKAMTXAKG-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084768015 1090433010 /nfs/dbraw/zinc/43/30/10/1090433010.db2.gz SEHQGKCIWWQBEF-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853208 1090476458 /nfs/dbraw/zinc/47/64/58/1090476458.db2.gz VPPBSVUUQJJPHB-KZNAEPCWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001084953533 1090543589 /nfs/dbraw/zinc/54/35/89/1090543589.db2.gz SJMWAGKOGQSGDB-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001410319071 1090549603 /nfs/dbraw/zinc/54/96/03/1090549603.db2.gz XQRNPGYHGDYACP-CABCVRRESA-N 2 0 315.889 2.152 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032403 1090606572 /nfs/dbraw/zinc/60/65/72/1090606572.db2.gz FEQBGWQJSNJXBZ-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274369464 1091210977 /nfs/dbraw/zinc/21/09/77/1091210977.db2.gz QMNDMMPBUACVBW-OZSKJFCKSA-N 2 0 311.445 2.037 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001274412534 1091230838 /nfs/dbraw/zinc/23/08/38/1091230838.db2.gz GUAUBQSKJWWEBE-JTGQJZMRSA-N 2 0 307.482 2.478 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001274434308 1091242640 /nfs/dbraw/zinc/24/26/40/1091242640.db2.gz CZLVBZIFBSILOP-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001274841611 1091445094 /nfs/dbraw/zinc/44/50/94/1091445094.db2.gz WXCRUGNRWLKXFV-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP COCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001274981325 1091498938 /nfs/dbraw/zinc/49/89/38/1091498938.db2.gz BGJLUQXBOJBOJB-ZWKOTPCHSA-N 2 0 316.449 2.068 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275042840 1091528073 /nfs/dbraw/zinc/52/80/73/1091528073.db2.gz RNMUFNPUGVTKIK-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275144330 1091581703 /nfs/dbraw/zinc/58/17/03/1091581703.db2.gz XVLCRUOQSCZICZ-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001275179642 1091603368 /nfs/dbraw/zinc/60/33/68/1091603368.db2.gz JSRNGYOFWPTDSQ-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001275309917 1091663887 /nfs/dbraw/zinc/66/38/87/1091663887.db2.gz QTWMZAKPHXCZAV-WMLDXEAASA-N 2 0 313.461 2.259 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001275624194 1091917864 /nfs/dbraw/zinc/91/78/64/1091917864.db2.gz IZSDPAAPYAAOLE-ABHNRTSZSA-N 2 0 321.509 2.489 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001273572195 1091930184 /nfs/dbraw/zinc/93/01/84/1091930184.db2.gz VUBVTSSXTAJMQR-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001275928560 1092324034 /nfs/dbraw/zinc/32/40/34/1092324034.db2.gz OCIGKKRDIVAGMZ-WMLDXEAASA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001275928559 1092324996 /nfs/dbraw/zinc/32/49/96/1092324996.db2.gz OCIGKKRDIVAGMZ-RHSMWYFYSA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001275928016 1092331856 /nfs/dbraw/zinc/33/18/56/1092331856.db2.gz CDJWJMUKXKHVQC-GDBMZVCRSA-N 2 0 318.465 2.157 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001488621701 1092668591 /nfs/dbraw/zinc/66/85/91/1092668591.db2.gz JOLKZKKNVMMLMM-KURKYZTESA-N 2 0 319.493 2.147 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001488993085 1092872090 /nfs/dbraw/zinc/87/20/90/1092872090.db2.gz VXVXOPSTKMTYJP-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001489239636 1093001092 /nfs/dbraw/zinc/00/10/92/1093001092.db2.gz GXBSNZMLRQECKI-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001274165572 1093831473 /nfs/dbraw/zinc/83/14/73/1093831473.db2.gz ZJSJYLGROKCNGR-KJPDOMRESA-N 2 0 305.466 2.232 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691738525 1138257858 /nfs/dbraw/zinc/25/78/58/1138257858.db2.gz KMLNDYZEZIQNKH-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236491252 1138367989 /nfs/dbraw/zinc/36/79/89/1138367989.db2.gz CJKVNNLIXCUSIJ-UHFFFAOYSA-N 2 0 305.441 2.464 20 30 DEEDRP N#Cc1cc(-c2cccc(N3CC[NH2+]CC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240345637 1139341609 /nfs/dbraw/zinc/34/16/09/1139341609.db2.gz NAQVYFIENCMMQU-UHFFFAOYSA-N 2 0 318.424 2.322 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319122498 1140508274 /nfs/dbraw/zinc/50/82/74/1140508274.db2.gz KQZSOSFQLAXCGF-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001319378569 1140559257 /nfs/dbraw/zinc/55/92/57/1140559257.db2.gz DHQQCPMRPYDLBO-DLBZAZTESA-N 2 0 317.477 2.045 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001319617422 1140625087 /nfs/dbraw/zinc/62/50/87/1140625087.db2.gz BLSSTUGLASPNIF-WMZOPIPTSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001319786768 1140714943 /nfs/dbraw/zinc/71/49/43/1140714943.db2.gz BOCOZLCIWQXZPZ-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP CC#CC[NH2+]CCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001322579526 1141635205 /nfs/dbraw/zinc/63/52/05/1141635205.db2.gz BYOXPUDNOAGUGB-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001323642348 1141873117 /nfs/dbraw/zinc/87/31/17/1141873117.db2.gz MGRBFFKOKDPHAU-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001323832222 1141891141 /nfs/dbraw/zinc/89/11/41/1141891141.db2.gz LUZBSYYGMUEYNN-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001323858751 1141893756 /nfs/dbraw/zinc/89/37/56/1141893756.db2.gz QZVSNHUZVUXFGZ-ZHALLVOQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001323860715 1141894339 /nfs/dbraw/zinc/89/43/39/1141894339.db2.gz UNNDZHWOWJOUIK-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001278582959 1142241896 /nfs/dbraw/zinc/24/18/96/1142241896.db2.gz SMHYWYFZMGODPS-LJQANCHMSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001278622601 1142368560 /nfs/dbraw/zinc/36/85/60/1142368560.db2.gz LTXCZYQWKVXRKF-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252119632 1142648696 /nfs/dbraw/zinc/64/86/96/1142648696.db2.gz CFDRPIUMZXUPTI-SFHVURJKSA-N 2 0 313.530 2.325 20 30 DEEDRP C=CCOC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001252470207 1142723817 /nfs/dbraw/zinc/72/38/17/1142723817.db2.gz IWOKXSPABFIJPR-RTBURBONSA-N 2 0 318.461 2.004 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252481968 1142730060 /nfs/dbraw/zinc/73/00/60/1142730060.db2.gz GZEIXSMEBZLBKM-IBGZPJMESA-N 2 0 318.461 2.052 20 30 DEEDRP C=C[C@](C)(O)C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001252552531 1142760115 /nfs/dbraw/zinc/76/01/15/1142760115.db2.gz XKFFASVYKZBENP-SFHVURJKSA-N 2 0 315.461 2.307 20 30 DEEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001253606112 1142883903 /nfs/dbraw/zinc/88/39/03/1142883903.db2.gz ZVKMDAZKCLSLCC-KRWDZBQOSA-N 2 0 313.445 2.311 20 30 DEEDRP C[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254635631 1143290841 /nfs/dbraw/zinc/29/08/41/1143290841.db2.gz HFZCWYBDOKLHLS-QFBILLFUSA-N 2 0 312.461 2.216 20 30 DEEDRP C[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254635629 1143292771 /nfs/dbraw/zinc/29/27/71/1143292771.db2.gz HFZCWYBDOKLHLS-APWZRJJASA-N 2 0 312.461 2.216 20 30 DEEDRP CN1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255421587 1143612136 /nfs/dbraw/zinc/61/21/36/1143612136.db2.gz LMBAZEQOIJODBJ-GUDVDZBRSA-N 2 0 312.461 2.334 20 30 DEEDRP CN1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255423019 1143613047 /nfs/dbraw/zinc/61/30/47/1143613047.db2.gz WPCGHYSNALCBRN-GUDVDZBRSA-N 2 0 312.461 2.334 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)CCC[NH2+]1 ZINC001342761837 1143834930 /nfs/dbraw/zinc/83/49/30/1143834930.db2.gz OSHQYPSHHCLIEJ-MAUKXSAKSA-N 2 0 305.466 2.052 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001280814341 1143869568 /nfs/dbraw/zinc/86/95/68/1143869568.db2.gz MXHKEUPFMMJPRF-GVDBMIGSSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001257106141 1143888330 /nfs/dbraw/zinc/88/83/30/1143888330.db2.gz LXYLCJUPNFKGQV-ROUUACIJSA-N 2 0 321.509 2.234 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001258727253 1144036008 /nfs/dbraw/zinc/03/60/08/1144036008.db2.gz CXKZDEOMQXVIAG-NCOADZHNSA-N 2 0 303.454 2.027 20 30 DEEDRP C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001263190905 1144360440 /nfs/dbraw/zinc/36/04/40/1144360440.db2.gz UOHDMLJHGGKRBC-HDICACEKSA-N 2 0 317.477 2.182 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001263259137 1144363883 /nfs/dbraw/zinc/36/38/83/1144363883.db2.gz OGLSXILVRIRZTG-MRXNPFEDSA-N 2 0 301.434 2.151 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001263993375 1144438810 /nfs/dbraw/zinc/43/88/10/1144438810.db2.gz CHHNDGLBBIQYRN-SQNIBIBYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001265684259 1144727309 /nfs/dbraw/zinc/72/73/09/1144727309.db2.gz QUYMCUVVCIRZKZ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001265708365 1144732343 /nfs/dbraw/zinc/73/23/43/1144732343.db2.gz NCDGPWQQPZDKRJ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001266189496 1144812640 /nfs/dbraw/zinc/81/26/40/1144812640.db2.gz GEHYSYQOMONNDZ-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281568734 1144897955 /nfs/dbraw/zinc/89/79/55/1144897955.db2.gz XTZZHRJQEHPCFB-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001282215048 1145014453 /nfs/dbraw/zinc/01/44/53/1145014453.db2.gz PHHKSTDXMVTJPX-GJZGRUSLSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001282311157 1145032660 /nfs/dbraw/zinc/03/26/60/1145032660.db2.gz YRQNRFJJGAJVFO-QGZVFWFLSA-N 2 0 321.509 2.206 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001282567162 1145087914 /nfs/dbraw/zinc/08/79/14/1145087914.db2.gz HDFWILJFQCODPN-SFHVURJKSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001282616564 1145098693 /nfs/dbraw/zinc/09/86/93/1145098693.db2.gz XMGYCNYCZVNFAT-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCCC1 ZINC001282627286 1145101325 /nfs/dbraw/zinc/10/13/25/1145101325.db2.gz KDITWPMZWLNCTF-KRWDZBQOSA-N 2 0 305.466 2.067 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001282667256 1145117946 /nfs/dbraw/zinc/11/79/46/1145117946.db2.gz PHOOMLPDRXMQJM-HOTGVXAUSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001282996174 1145229441 /nfs/dbraw/zinc/22/94/41/1145229441.db2.gz KCDMEKPIBVGRAL-HDICACEKSA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001283316728 1145358859 /nfs/dbraw/zinc/35/88/59/1145358859.db2.gz GPGLCKVTYKBWCA-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)c(F)c1 ZINC001285004278 1146006532 /nfs/dbraw/zinc/00/65/32/1146006532.db2.gz MESPYDUVHZNONR-UHFFFAOYSA-N 2 0 319.424 2.202 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001491829147 1146906065 /nfs/dbraw/zinc/90/60/65/1146906065.db2.gz GCCANKWMAGOMHT-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001492154734 1147102297 /nfs/dbraw/zinc/10/22/97/1147102297.db2.gz SKJHYUSSQKZYMJ-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366424581 1147264721 /nfs/dbraw/zinc/26/47/21/1147264721.db2.gz HBUJSMDOMTXXJF-UONOGXRCSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366424570 1147265207 /nfs/dbraw/zinc/26/52/07/1147265207.db2.gz HBUJSMDOMTXXJF-KBPBESRZSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001316758925 1147594761 /nfs/dbraw/zinc/59/47/61/1147594761.db2.gz QOPCDJSGGSVKBG-KSZLIROESA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316773874 1147596953 /nfs/dbraw/zinc/59/69/53/1147596953.db2.gz YKODSFOUUGLKNM-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317064109 1147655256 /nfs/dbraw/zinc/65/52/56/1147655256.db2.gz OCSYKNFSDMNRQH-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001317149577 1147666943 /nfs/dbraw/zinc/66/69/43/1147666943.db2.gz JQDIAAUPPJMXSY-HNNXBMFYSA-N 2 0 304.438 2.137 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001317434518 1147707642 /nfs/dbraw/zinc/70/76/42/1147707642.db2.gz JCJVMLDMXUPZFE-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317464780 1147712587 /nfs/dbraw/zinc/71/25/87/1147712587.db2.gz FDRTWIKRYYTNEM-UHFFFAOYSA-N 2 0 303.450 2.376 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001324943424 1147861150 /nfs/dbraw/zinc/86/11/50/1147861150.db2.gz HYMCLAURPNMLHD-SFHVURJKSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001325418791 1147905282 /nfs/dbraw/zinc/90/52/82/1147905282.db2.gz SCYNBNWVJQWHQU-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001325707894 1147987103 /nfs/dbraw/zinc/98/71/03/1147987103.db2.gz GGEXSEDIVIKGCY-GOSISDBHSA-N 2 0 315.461 2.133 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001325766275 1147997050 /nfs/dbraw/zinc/99/70/50/1147997050.db2.gz KDXZUYUEPXOPCB-HDICACEKSA-N 2 0 319.493 2.075 20 30 DEEDRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C1=CC[N@H+](C)CC1 ZINC001325880730 1148013077 /nfs/dbraw/zinc/01/30/77/1148013077.db2.gz SYXWKFTUTVPWBJ-CQSZACIVSA-N 2 0 312.417 2.127 20 30 DEEDRP CCc1ccc(CNC(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)=[NH+]C)s1 ZINC000261754287 529638376 /nfs/dbraw/zinc/63/83/76/529638376.db2.gz MFQKARMQEANYRO-BLLLJJGKSA-N 2 0 320.506 2.458 20 30 DEEDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000181467882 199301896 /nfs/dbraw/zinc/30/18/96/199301896.db2.gz CGWZPUWBWPPHLS-HNNXBMFYSA-N 2 0 300.450 2.235 20 30 DEEDRP C[N@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000262505059 529852838 /nfs/dbraw/zinc/85/28/38/529852838.db2.gz BDOOHSSLIHVXFJ-MRXNPFEDSA-N 2 0 316.449 2.289 20 30 DEEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCC#N)CC2)CC1 ZINC000377266667 529878642 /nfs/dbraw/zinc/87/86/42/529878642.db2.gz LTEKWEOWOYSVQD-UHFFFAOYSA-N 2 0 306.498 2.418 20 30 DEEDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000181697148 199339961 /nfs/dbraw/zinc/33/99/61/199339961.db2.gz VEHCTZCLYBYPHE-MRXNPFEDSA-N 2 0 314.477 2.482 20 30 DEEDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(C#N)c1 ZINC000181697328 199339718 /nfs/dbraw/zinc/33/97/18/199339718.db2.gz UWMHJVFYPGRRCI-INIZCTEOSA-N 2 0 314.477 2.482 20 30 DEEDRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000277046031 213259916 /nfs/dbraw/zinc/25/99/16/213259916.db2.gz CCKCWHFGSVMJCK-KRWDZBQOSA-N 2 0 314.433 2.303 20 30 DEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC000073780467 354981864 /nfs/dbraw/zinc/98/18/64/354981864.db2.gz GPGDJNIMUHTHGR-CQSZACIVSA-N 2 0 308.857 2.299 20 30 DEEDRP CCCNC(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091537612 355600452 /nfs/dbraw/zinc/60/04/52/355600452.db2.gz YNADHHVQCLUDGN-UHFFFAOYSA-N 2 0 318.465 2.018 20 30 DEEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)CC1 ZINC000589341647 357465777 /nfs/dbraw/zinc/46/57/77/357465777.db2.gz CBXBJHRGDOCDAZ-YLJYHZDGSA-N 2 0 324.472 2.304 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)nc1 ZINC000591570800 357736594 /nfs/dbraw/zinc/73/65/94/357736594.db2.gz PNGSHMUEUBTJHF-IAGOWNOFSA-N 2 0 313.449 2.172 20 30 DEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000591573423 357736936 /nfs/dbraw/zinc/73/69/36/357736936.db2.gz VCOYEHUPRJQMNZ-HYVNUMGLSA-N 2 0 319.836 2.458 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000595295122 358414652 /nfs/dbraw/zinc/41/46/52/358414652.db2.gz FLZBBHFWETZOTP-UHFFFAOYSA-N 2 0 313.445 2.145 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000595893102 358574227 /nfs/dbraw/zinc/57/42/27/358574227.db2.gz PFEIHUYLBVSICR-RBUKOAKNSA-N 2 0 313.445 2.319 20 30 DEEDRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000598719819 359304082 /nfs/dbraw/zinc/30/40/82/359304082.db2.gz JHCYVKUGJZIIDP-MRXNPFEDSA-N 2 0 319.449 2.017 20 30 DEEDRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602515999 360413989 /nfs/dbraw/zinc/41/39/89/360413989.db2.gz FWVVCGPWEHEIGD-UHFFFAOYSA-N 2 0 310.401 2.183 20 30 DEEDRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449132695 240099571 /nfs/dbraw/zinc/09/95/71/240099571.db2.gz VSPXQMGGIIPNKK-UHFFFAOYSA-N 2 0 306.498 2.322 20 30 DEEDRP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000268953760 207119745 /nfs/dbraw/zinc/11/97/45/207119745.db2.gz FPENTORKPFHHDB-RTBURBONSA-N 2 0 313.445 2.416 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000564826184 292113539 /nfs/dbraw/zinc/11/35/39/292113539.db2.gz DXKZRYUEHNBNLP-CKUJCDMFSA-N 2 0 300.406 2.113 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(C#N)ccc1F ZINC000374427063 148245765 /nfs/dbraw/zinc/24/57/65/148245765.db2.gz HAHCVRUQYTWUAA-NXHRZFHOSA-N 2 0 317.408 2.381 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000126868932 401711402 /nfs/dbraw/zinc/71/14/02/401711402.db2.gz SMHGPZPAGLSEQC-QGZVFWFLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000236667033 402372689 /nfs/dbraw/zinc/37/26/89/402372689.db2.gz HIMOSHODQBGTOE-SJORKVTESA-N 2 0 319.493 2.191 20 30 DEEDRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000185891929 402386543 /nfs/dbraw/zinc/38/65/43/402386543.db2.gz KVQSDTKKWFTHRJ-UHFFFAOYSA-N 2 0 306.479 2.125 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000186598246 402446032 /nfs/dbraw/zinc/44/60/32/402446032.db2.gz XHPGOUQMIVBENH-CVEARBPZSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727351 402754090 /nfs/dbraw/zinc/75/40/90/402754090.db2.gz LZCRCEYUOVFZAE-MRXNPFEDSA-N 2 0 300.450 2.189 20 30 DEEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000271908216 402885477 /nfs/dbraw/zinc/88/54/77/402885477.db2.gz XFWZYIVHFSQCRH-QAPCUYQASA-N 2 0 301.434 2.446 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(CC#N)cc1 ZINC000342724058 403323117 /nfs/dbraw/zinc/32/31/17/403323117.db2.gz DFFUGWGLOJTWMF-QYZOEREBSA-N 2 0 313.445 2.436 20 30 DEEDRP C=CCN1CCC([NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286334496 403502045 /nfs/dbraw/zinc/50/20/45/403502045.db2.gz YBTBAPBJAGFWMD-CYBMUJFWSA-N 2 0 315.417 2.319 20 30 DEEDRP CC(C)c1cccc(NC(=[NH2+])NCCCN(C)CC[NH+](C)C)c1 ZINC000288633552 403760436 /nfs/dbraw/zinc/76/04/36/403760436.db2.gz BJVLKUWUCDKQRO-UHFFFAOYSA-N 2 0 319.497 2.420 20 30 DEEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000343941397 403802104 /nfs/dbraw/zinc/80/21/04/403802104.db2.gz SYEXRQCNRHSVFI-ZBFHGGJFSA-N 2 0 302.422 2.194 20 30 DEEDRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424126953 405015703 /nfs/dbraw/zinc/01/57/03/405015703.db2.gz CIVQDZWMSRDSFM-LSDHHAIUSA-N 2 0 322.478 2.268 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000417059881 405023581 /nfs/dbraw/zinc/02/35/81/405023581.db2.gz IXWMQLVAMBWAQW-GVDBMIGSSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)C(C)C ZINC000417063859 405024916 /nfs/dbraw/zinc/02/49/16/405024916.db2.gz NWVGEJGFBZDHQV-IRXDYDNUSA-N 2 0 322.497 2.078 20 30 DEEDRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424157163 405025481 /nfs/dbraw/zinc/02/54/81/405025481.db2.gz PKXCWAZFXHGCLT-KRWDZBQOSA-N 2 0 316.449 2.164 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000424079577 404998039 /nfs/dbraw/zinc/99/80/39/404998039.db2.gz RHVVLSZJDLTHHD-INIZCTEOSA-N 2 0 320.481 2.313 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)C(C)C ZINC000426417744 405358616 /nfs/dbraw/zinc/35/86/16/405358616.db2.gz CCCJILJLKIALAG-QZTJIDSGSA-N 2 0 319.493 2.428 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439844178 405294280 /nfs/dbraw/zinc/29/42/80/405294280.db2.gz TZFYNSURQWYMFK-QGZVFWFLSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)C(C)C ZINC000515654270 406074493 /nfs/dbraw/zinc/07/44/93/406074493.db2.gz KTXGJEIPMARVRQ-SJORKVTESA-N 2 0 307.482 2.333 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000645264952 407255811 /nfs/dbraw/zinc/25/58/11/407255811.db2.gz QDRXSLLKIGGUTP-QGZVFWFLSA-N 2 0 322.497 2.153 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897802 782029347 /nfs/dbraw/zinc/02/93/47/782029347.db2.gz XYISSGGORFDWBO-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000651746389 425145638 /nfs/dbraw/zinc/14/56/38/425145638.db2.gz PELHMKQPQMDRSH-ZACQAIPSSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC1([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)CCCC1 ZINC000661847954 425514029 /nfs/dbraw/zinc/51/40/29/425514029.db2.gz GHDWPTDAGLFDQZ-UHFFFAOYSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC[NH2+]1 ZINC000662804378 425739336 /nfs/dbraw/zinc/73/93/36/425739336.db2.gz FEYCJBXPETXFTH-HHXXYDBFSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC[NH2+]1 ZINC000662804382 425739590 /nfs/dbraw/zinc/73/95/90/425739590.db2.gz FEYCJBXPETXFTH-SZVBFZGTSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662678363 425711227 /nfs/dbraw/zinc/71/12/27/425711227.db2.gz FSTPHSHWFPHXIW-FUHWJXTLSA-N 2 0 319.424 2.243 20 30 DEEDRP C=CC[C@]1(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000662695976 425715156 /nfs/dbraw/zinc/71/51/56/425715156.db2.gz RSJINNMWRNHOKJ-YFHUEUNASA-N 2 0 307.482 2.167 20 30 DEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000186596064 278231652 /nfs/dbraw/zinc/23/16/52/278231652.db2.gz YHGATLYJWNSNGZ-HOTGVXAUSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000186596124 279263940 /nfs/dbraw/zinc/26/39/40/279263940.db2.gz YHGATLYJWNSNGZ-HZPDHXFCSA-N 2 0 300.450 2.235 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001329759961 1148988539 /nfs/dbraw/zinc/98/85/39/1148988539.db2.gz FAFDPOWFDSJONN-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001378694878 1152417267 /nfs/dbraw/zinc/41/72/67/1152417267.db2.gz SUDSWXKKKGFDQB-UHFFFAOYSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001378930291 1152495048 /nfs/dbraw/zinc/49/50/48/1152495048.db2.gz WJOGQRZEQUFGJD-DZGCQCFKSA-N 2 0 315.889 2.297 20 30 DEEDRP C[NH+]=C(NCC1CCSCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262750652 526352687 /nfs/dbraw/zinc/35/26/87/526352687.db2.gz BVYLNIDJPBFGJY-INIZCTEOSA-N 2 0 324.538 2.123 20 30 DEEDRP C[NH+]=C(NCC1CCOCC1)NCC1([NH+](C)C)CCCCCC1 ZINC000262767654 526352803 /nfs/dbraw/zinc/35/28/03/526352803.db2.gz GSQGTCVHKBIRPX-UHFFFAOYSA-N 2 0 324.513 2.233 20 30 DEEDRP CCNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000267429228 528942202 /nfs/dbraw/zinc/94/22/02/528942202.db2.gz MGTFVRQWPRFIHI-UHFFFAOYSA-N 2 0 308.857 2.476 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761788 625427604 /nfs/dbraw/zinc/42/76/04/625427604.db2.gz JJDAJYBPJLUNED-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001026547329 625513614 /nfs/dbraw/zinc/51/36/14/625513614.db2.gz KAMCRKAFIDXBJT-GTPINHCMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000969152253 622593663 /nfs/dbraw/zinc/59/36/63/622593663.db2.gz JLJGOGOVADGPCS-OAHLLOKOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000969675571 622880809 /nfs/dbraw/zinc/88/08/09/622880809.db2.gz VQOMSDAKDIUAMB-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970316462 623395693 /nfs/dbraw/zinc/39/56/93/623395693.db2.gz DCLIUJFIXVFPJE-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575684 623780129 /nfs/dbraw/zinc/78/01/29/623780129.db2.gz MFLWPTIQIHIMMQ-CVEARBPZSA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972156504 624871839 /nfs/dbraw/zinc/87/18/39/624871839.db2.gz MSQZUSOXPHXKKH-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP 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 625135607 /nfs/dbraw/zinc/13/56/07/625135607.db2.gz SPQOHEWPBIDSPH-SFFUCWETSA-N 2 0 317.477 2.016 20 30 DEEDRP 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 625135702 /nfs/dbraw/zinc/13/57/02/625135702.db2.gz SPQOHEWPBIDSPH-IECFSIQFSA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442647 625778015 /nfs/dbraw/zinc/77/80/15/625778015.db2.gz UHAWCXXAHGVDFD-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615269 625864415 /nfs/dbraw/zinc/86/44/15/625864415.db2.gz HBSWICWKWCJMDU-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999036304 634464743 /nfs/dbraw/zinc/46/47/43/634464743.db2.gz SEHUWJGQIIWCMI-JCYILVPMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC000999318740 634559075 /nfs/dbraw/zinc/55/90/75/634559075.db2.gz NDMYPVHVASDOIL-UHFFFAOYSA-N 2 0 305.422 2.110 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974577856 633156096 /nfs/dbraw/zinc/15/60/96/633156096.db2.gz OFHDHZKPFOBONT-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996310721 633234865 /nfs/dbraw/zinc/23/48/65/633234865.db2.gz OUPIJJJCGRQRPC-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686889 633236057 /nfs/dbraw/zinc/23/60/57/633236057.db2.gz YJRKMNUVAXDHDJ-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975045061 633397552 /nfs/dbraw/zinc/39/75/52/633397552.db2.gz YIFUUWMJZFCIHC-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921527868 633615411 /nfs/dbraw/zinc/61/54/11/633615411.db2.gz CBDXBRRBHDCDLL-QGZVFWFLSA-N 2 0 314.477 2.291 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997132541 633617599 /nfs/dbraw/zinc/61/75/99/633617599.db2.gz OHIPRHBISOGUIX-AEFFLSMTSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472635 633854507 /nfs/dbraw/zinc/85/45/07/633854507.db2.gz VGDJTZBFYOWQNE-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588037 633887797 /nfs/dbraw/zinc/88/77/97/633887797.db2.gz URCXDKVPMMRKHL-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CN2CCC(C)CC2)C(C)(C)C1 ZINC000977383731 633965103 /nfs/dbraw/zinc/96/51/03/633965103.db2.gz FNFLLTOXXZFVTD-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000998190029 634164330 /nfs/dbraw/zinc/16/43/30/634164330.db2.gz RZXWMPGVISCYSN-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001027609986 634279480 /nfs/dbraw/zinc/27/94/80/634279480.db2.gz HLRQUYPHYLXPGU-HOCLYGCPSA-N 2 0 304.438 2.087 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978421031 634312189 /nfs/dbraw/zinc/31/21/89/634312189.db2.gz CJOAGDNTQIRXAY-NNZMDNLPSA-N 2 0 324.428 2.208 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027647287 634376965 /nfs/dbraw/zinc/37/69/65/634376965.db2.gz MUPAAYNIGMNPTN-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980479170 635016827 /nfs/dbraw/zinc/01/68/27/635016827.db2.gz UEMCYFKYOLXVPJ-KRWDZBQOSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404149 635487952 /nfs/dbraw/zinc/48/79/52/635487952.db2.gz GZABJMDKRJMXEL-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000981800497 635655654 /nfs/dbraw/zinc/65/56/54/635655654.db2.gz GUMPSXRRNBWZOL-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000922384562 636151408 /nfs/dbraw/zinc/15/14/08/636151408.db2.gz DFXUSAMUWSPCJC-QBPKDAKJSA-N 2 0 319.474 2.189 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595371 636342316 /nfs/dbraw/zinc/34/23/16/636342316.db2.gz WBHAUMDACDJPCZ-ZJPYXAASSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004615912 636501723 /nfs/dbraw/zinc/50/17/23/636501723.db2.gz JMVHDOUYXHWFRT-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001005390845 636730343 /nfs/dbraw/zinc/73/03/43/636730343.db2.gz MQCOKXBRKIETFZ-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011649 636951819 /nfs/dbraw/zinc/95/18/19/636951819.db2.gz BQAMWBXVTASTNI-OAHLLOKOSA-N 2 0 319.449 2.359 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000986483155 639908378 /nfs/dbraw/zinc/90/83/78/639908378.db2.gz SVVCPALBWFBRNE-WFASDCNBSA-N 2 0 318.808 2.279 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000987122185 640092687 /nfs/dbraw/zinc/09/26/87/640092687.db2.gz CHZJVPUDQIPLSI-HIFRSBDPSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000764462596 640640185 /nfs/dbraw/zinc/64/01/85/640640185.db2.gz SAQMTNQDCJSLAC-OAHLLOKOSA-N 2 0 321.490 2.194 20 30 DEEDRP N#Cc1ccc(C2=CCN(C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000767732037 641015814 /nfs/dbraw/zinc/01/58/14/641015814.db2.gz MZZPTGCNASAKFP-LJQANCHMSA-N 2 0 311.429 2.104 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000989664063 641191458 /nfs/dbraw/zinc/19/14/58/641191458.db2.gz FDYJEOWFUFNZCZ-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989825579 641248667 /nfs/dbraw/zinc/24/86/67/641248667.db2.gz HRXBSGFHDXJMAX-RHSMWYFYSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000899926765 642212893 /nfs/dbraw/zinc/21/28/93/642212893.db2.gz JPSPJOUBIJJBPH-UHFFFAOYSA-N 2 0 315.461 2.275 20 30 DEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722521 643438992 /nfs/dbraw/zinc/43/89/92/643438992.db2.gz MAFQYMPBIMMYMY-MOPGFXCFSA-N 2 0 316.445 2.452 20 30 DEEDRP N#Cc1ccc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000903823925 643473225 /nfs/dbraw/zinc/47/32/25/643473225.db2.gz LLGQYLXGHPYGNE-GOSISDBHSA-N 2 0 311.429 2.259 20 30 DEEDRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H](C)c2cccc(C#N)c2)cnn1C ZINC000903950821 643526786 /nfs/dbraw/zinc/52/67/86/643526786.db2.gz RNFXNHZVCFXXIN-CZUORRHYSA-N 2 0 311.433 2.068 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000912774160 646162848 /nfs/dbraw/zinc/16/28/48/646162848.db2.gz NNITZGPUUKLXLM-UHFFFAOYSA-N 2 0 324.428 2.371 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913100096 646269111 /nfs/dbraw/zinc/26/91/11/646269111.db2.gz PMWUPVBDOGKSSI-MAUKXSAKSA-N 2 0 315.461 2.131 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000170906375 646674594 /nfs/dbraw/zinc/67/45/94/646674594.db2.gz WHVGMWOGXSPMSX-UHFFFAOYSA-N 2 0 318.465 2.364 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992120370 646861276 /nfs/dbraw/zinc/86/12/76/646861276.db2.gz BMMJVDYTQGTTRM-LSTDLKDCSA-N 2 0 319.493 2.406 20 30 DEEDRP CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(C[NH+](C)C)cc1 ZINC000814885648 646939780 /nfs/dbraw/zinc/93/97/80/646939780.db2.gz GARCPCSNZVQORI-IRXDYDNUSA-N 2 0 313.449 2.332 20 30 DEEDRP CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cccc(C[NH+](C)C)c1 ZINC000814885590 646940467 /nfs/dbraw/zinc/94/04/67/646940467.db2.gz DZGCBWVHSSWUBO-IAGOWNOFSA-N 2 0 313.449 2.332 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC000992930734 647322891 /nfs/dbraw/zinc/32/28/91/647322891.db2.gz HOKKTALIWWSFCU-OKZBNKHCSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941164856 649011352 /nfs/dbraw/zinc/01/13/52/649011352.db2.gz XZGZOHXKPDOKLH-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372255 649096821 /nfs/dbraw/zinc/09/68/21/649096821.db2.gz AMYYYNQNGGFRAV-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945092268 649611409 /nfs/dbraw/zinc/61/14/09/649611409.db2.gz QCZOEXONTYFAGN-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000849026932 651586923 /nfs/dbraw/zinc/58/69/23/651586923.db2.gz NIILVPHYAAHXBB-INIZCTEOSA-N 2 0 316.449 2.350 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000304804522 685261899 /nfs/dbraw/zinc/26/18/99/685261899.db2.gz BHAORACPBXILOW-UHFFFAOYSA-N 2 0 324.513 2.220 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054197909 693878663 /nfs/dbraw/zinc/87/86/63/693878663.db2.gz LNUKSHSIIQTEKC-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054197884 693879211 /nfs/dbraw/zinc/87/92/11/693879211.db2.gz KVMVPRJCVKDBAY-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000303877669 685236268 /nfs/dbraw/zinc/23/62/68/685236268.db2.gz FMYSXLPBUNEIHA-HOTGVXAUSA-N 2 0 302.466 2.396 20 30 DEEDRP CC[NH+](CC)[C@@H](C[NH+]=C(N(C)C)N(C)C)Cc1ccccc1 ZINC000303901266 685238896 /nfs/dbraw/zinc/23/88/96/685238896.db2.gz SPCNHMISKOXROY-QGZVFWFLSA-N 2 0 304.482 2.419 20 30 DEEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000303990568 685242780 /nfs/dbraw/zinc/24/27/80/685242780.db2.gz YWCLLWTYWDPPAZ-UHFFFAOYSA-N 2 0 318.421 2.059 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001054929409 694074038 /nfs/dbraw/zinc/07/40/38/694074038.db2.gz FZUJYWBACPODNJ-MAUKXSAKSA-N 2 0 315.461 2.027 20 30 DEEDRP C[NH+](C)C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1C[NH+](C)C ZINC000866012585 687408752 /nfs/dbraw/zinc/40/87/52/687408752.db2.gz JTQQTHAXNYTDSH-ZIAGYGMSSA-N 2 0 320.868 2.387 20 30 DEEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590243 687622638 /nfs/dbraw/zinc/62/26/38/687622638.db2.gz PHALOJXRIVIWQP-MRXNPFEDSA-N 2 0 312.461 2.331 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016618217 687666113 /nfs/dbraw/zinc/66/61/13/687666113.db2.gz QUBVPJIYPULHBN-HZPDHXFCSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016805913 687707524 /nfs/dbraw/zinc/70/75/24/687707524.db2.gz DOYVLYHCACJRJZ-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C(C)C ZINC000870864080 688670889 /nfs/dbraw/zinc/67/08/89/688670889.db2.gz TXXIZGVBQYIOTL-BBWFWOEESA-N 2 0 307.482 2.319 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032118707 689066647 /nfs/dbraw/zinc/06/66/47/689066647.db2.gz QDDPFQULVAURFD-UHFFFAOYSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423462 689495641 /nfs/dbraw/zinc/49/56/41/689495641.db2.gz RMKUMDDTCYHUCH-SFHVURJKSA-N 2 0 315.461 2.123 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825981 689627942 /nfs/dbraw/zinc/62/79/42/689627942.db2.gz LCIKDDMSHFBBPX-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825588 689627982 /nfs/dbraw/zinc/62/79/82/689627982.db2.gz FPPNHQBFHDUGDJ-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034439261 689851119 /nfs/dbraw/zinc/85/11/19/689851119.db2.gz SSRAQDNSZFCMRK-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000876723815 689915821 /nfs/dbraw/zinc/91/58/21/689915821.db2.gz XVRZEMCPDUDVSE-KGLIPLIRSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000876723741 689915947 /nfs/dbraw/zinc/91/59/47/689915947.db2.gz GNBGQKNMTQUSIL-INIZCTEOSA-N 2 0 321.852 2.021 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000876724336 689916137 /nfs/dbraw/zinc/91/61/37/689916137.db2.gz UKHKKRZKZPHNDJ-AWEZNQCLSA-N 2 0 301.862 2.037 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000876742213 689924005 /nfs/dbraw/zinc/92/40/05/689924005.db2.gz ZVZLYJDSXWRDOK-CJNGLKHVSA-N 2 0 321.852 2.019 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035187149 690053548 /nfs/dbraw/zinc/05/35/48/690053548.db2.gz SFIKIRNKCMVEFR-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035794664 690178119 /nfs/dbraw/zinc/17/81/19/690178119.db2.gz IPRPFOBTLMRFOD-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035795684 690178203 /nfs/dbraw/zinc/17/82/03/690178203.db2.gz XOKGKEYTBDJVOX-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001036092371 690257933 /nfs/dbraw/zinc/25/79/33/690257933.db2.gz DBQUYXDAXJMMCU-CXAGYDPISA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001036094534 690258828 /nfs/dbraw/zinc/25/88/28/690258828.db2.gz QCHXIUKHMRZWMV-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001036109848 690263819 /nfs/dbraw/zinc/26/38/19/690263819.db2.gz CRDYAVQCKVTDGI-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001036306746 690315936 /nfs/dbraw/zinc/31/59/36/690315936.db2.gz YMDQEUCDJZQORH-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[C@@H]1[N@H+](CC(=O)NC2CC[NH+](C)CC2)CCCC1(C)C ZINC000878515817 690429497 /nfs/dbraw/zinc/42/94/97/690429497.db2.gz IOCKLKRWESPXNA-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810154 690481197 /nfs/dbraw/zinc/48/11/97/690481197.db2.gz WPVTVSPMVBWZNO-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820582 690485958 /nfs/dbraw/zinc/48/59/58/690485958.db2.gz LHKYGCIBNGHRFR-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Br)CN(CCOC)CC1CC[NH+](C)CC1 ZINC000879123953 690572819 /nfs/dbraw/zinc/57/28/19/690572819.db2.gz NHIGGCJEOQJDTR-UHFFFAOYSA-N 2 0 305.260 2.185 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037925086 690641815 /nfs/dbraw/zinc/64/18/15/690641815.db2.gz JYVGBQLCMHQSCJ-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038440878 690823962 /nfs/dbraw/zinc/82/39/62/690823962.db2.gz CCVULFNUVYFKBB-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038624896 690879225 /nfs/dbraw/zinc/87/92/25/690879225.db2.gz OWZSKTVQRGWZBF-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159453 691035470 /nfs/dbraw/zinc/03/54/70/691035470.db2.gz OHJFSZMROBODFH-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401971 691098794 /nfs/dbraw/zinc/09/87/94/691098794.db2.gz YVLUMQYPMKOREB-CVEARBPZSA-N 2 0 310.401 2.199 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039448175 691108454 /nfs/dbraw/zinc/10/84/54/691108454.db2.gz ZIOBKNOYKQGDEW-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040391647 691241664 /nfs/dbraw/zinc/24/16/64/691241664.db2.gz QUSUAHYPOQCRNB-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948306 691300340 /nfs/dbraw/zinc/30/03/40/691300340.db2.gz OCSRBCCPWBWYRW-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041647634 691404999 /nfs/dbraw/zinc/40/49/99/691404999.db2.gz ZUARFIPDHLYSRN-AEFFLSMTSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041675726 691408651 /nfs/dbraw/zinc/40/86/51/691408651.db2.gz RQQFFWVQBUPGHQ-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844298 691443477 /nfs/dbraw/zinc/44/34/77/691443477.db2.gz GDPXKISEUOYQKN-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCCO1 ZINC000883207624 691457159 /nfs/dbraw/zinc/45/71/59/691457159.db2.gz PVSAYPOCRLIMRM-WJFTUGDTSA-N 2 0 322.493 2.468 20 30 DEEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000886021558 691985431 /nfs/dbraw/zinc/98/54/31/691985431.db2.gz YUUZCYPBUMFQBD-SJORKVTESA-N 2 0 305.466 2.239 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045619198 692006505 /nfs/dbraw/zinc/00/65/05/692006505.db2.gz CFFCFWAXMKXDML-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)CN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046314246 692149382 /nfs/dbraw/zinc/14/93/82/692149382.db2.gz ABWKSMHAUQZLLB-HOCLYGCPSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001048511255 692634319 /nfs/dbraw/zinc/63/43/19/692634319.db2.gz XYBFRDUDDBKTEC-YVSFHVDLSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048912731 692721519 /nfs/dbraw/zinc/72/15/19/692721519.db2.gz PGRXIGXTZMGMNV-KSZLIROESA-N 2 0 319.493 2.073 20 30 DEEDRP 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 692741901 /nfs/dbraw/zinc/74/19/01/692741901.db2.gz VVRWXSKCFXJZMZ-XLAORIBOSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049518111 692908614 /nfs/dbraw/zinc/90/86/14/692908614.db2.gz QFDXBJNLPGHJQN-CVEARBPZSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049717293 692973416 /nfs/dbraw/zinc/97/34/16/692973416.db2.gz HYBYTWRSQRSYPS-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001049919242 693046701 /nfs/dbraw/zinc/04/67/01/693046701.db2.gz OFXJAUUMUUFSLA-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050550464 693205066 /nfs/dbraw/zinc/20/50/66/693205066.db2.gz LNMNUUPJQUIFGM-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052446298 693537298 /nfs/dbraw/zinc/53/72/98/693537298.db2.gz YNNLKVBNIOHOJQ-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052528657 693559340 /nfs/dbraw/zinc/55/93/40/693559340.db2.gz NQQQKMKDQQWZLR-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716309 693602180 /nfs/dbraw/zinc/60/21/80/693602180.db2.gz LNCTWFZEAVGGGC-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052955331 693655950 /nfs/dbraw/zinc/65/59/50/693655950.db2.gz DAERJEDVUCHZEJ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001343375723 1150738533 /nfs/dbraw/zinc/73/85/33/1150738533.db2.gz JLBYLSHOKFKTFF-HZPDHXFCSA-N 2 0 307.413 2.228 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001343429494 1150741486 /nfs/dbraw/zinc/74/14/86/1150741486.db2.gz AVMISQZOAFKBRS-NVXWUHKLSA-N 2 0 303.450 2.307 20 30 DEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200718 1153265103 /nfs/dbraw/zinc/26/51/03/1153265103.db2.gz XMDOESCLKZTDMR-WBAXXEDZSA-N 2 0 301.434 2.254 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001382139515 1153374904 /nfs/dbraw/zinc/37/49/04/1153374904.db2.gz FRRPOGZDOMDAQL-CQSZACIVSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001370963460 1155653705 /nfs/dbraw/zinc/65/37/05/1155653705.db2.gz NBCCTOTXMQWCNJ-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)CN(CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001372715244 1156696295 /nfs/dbraw/zinc/69/62/95/1156696295.db2.gz WRGUNZFQMUNTBB-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001401230879 1161899503 /nfs/dbraw/zinc/89/95/03/1161899503.db2.gz ZFUMUAXJLJZVQN-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001418256269 1167523513 /nfs/dbraw/zinc/52/35/13/1167523513.db2.gz KQFVISBUSCXTPZ-CQSZACIVSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422213962 1172399272 /nfs/dbraw/zinc/39/92/72/1172399272.db2.gz SMMYWJHMPCKGIL-QLFBSQMISA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001424724491 1173888146 /nfs/dbraw/zinc/88/81/46/1173888146.db2.gz HNBLIOSEFHJZBE-YMAMQOFZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001437836870 1180022832 /nfs/dbraw/zinc/02/28/32/1180022832.db2.gz AUWCWYJSOYZLBS-UKRRQHHQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001438401724 1180391845 /nfs/dbraw/zinc/39/18/45/1180391845.db2.gz JSXBFCIDCLTHGJ-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001444715855 1183524915 /nfs/dbraw/zinc/52/49/15/1183524915.db2.gz FPJDISBQBNUNRT-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001406186452 1164498952 /nfs/dbraw/zinc/49/89/52/1164498952.db2.gz OKWVTQJVNULJKH-CABCVRRESA-N 2 0 313.873 2.002 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886527 790289047 /nfs/dbraw/zinc/28/90/47/790289047.db2.gz VHYAPEKCYYSVSE-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383154 783060694 /nfs/dbraw/zinc/06/06/94/783060694.db2.gz WVUVNMPSDQFJEA-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089443171 783111954 /nfs/dbraw/zinc/11/19/54/783111954.db2.gz YQPPILMBWADKJO-INIZCTEOSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492247 783156863 /nfs/dbraw/zinc/15/68/63/783156863.db2.gz GCJBJVCLOGZUNB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492248 783157439 /nfs/dbraw/zinc/15/74/39/783157439.db2.gz GCJBJVCLOGZUNB-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601777 777310905 /nfs/dbraw/zinc/31/09/05/777310905.db2.gz QTMZWZHIBVDHSI-UHFFFAOYSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104420399 777359100 /nfs/dbraw/zinc/35/91/00/777359100.db2.gz MTTALBJGVCCQSV-HUUCEWRRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001207391679 777630862 /nfs/dbraw/zinc/63/08/62/777630862.db2.gz LTMOZDJNKTWOOV-UHFFFAOYSA-N 2 0 321.465 2.049 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301603 777750754 /nfs/dbraw/zinc/75/07/54/777750754.db2.gz FRUTUBRDSRFMKB-IKGGRYGDSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087318431 777782500 /nfs/dbraw/zinc/78/25/00/777782500.db2.gz XSZRMDHDVBGTAO-KBAYOESNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947589 777807782 /nfs/dbraw/zinc/80/77/82/777807782.db2.gz PXHUYUSOBDIAAP-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832748 778203992 /nfs/dbraw/zinc/20/39/92/778203992.db2.gz RERXWRRFRFYSFB-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104936388 778264165 /nfs/dbraw/zinc/26/41/65/778264165.db2.gz QZHHSDDXPJTIJA-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064313 778320265 /nfs/dbraw/zinc/32/02/65/778320265.db2.gz JAKSFTYRMYZYHL-UKRRQHHQSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572637 779357634 /nfs/dbraw/zinc/35/76/34/779357634.db2.gz ZJVBUYFXYWKDMV-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001088000255 779624182 /nfs/dbraw/zinc/62/41/82/779624182.db2.gz WZXIOVCAVHCXPL-SQNIBIBYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088424669 780106761 /nfs/dbraw/zinc/10/67/61/780106761.db2.gz CLDZQDXHFCPINF-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001088430898 780119262 /nfs/dbraw/zinc/11/92/62/780119262.db2.gz AUJPKQDYBJBVEM-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088653772 780690981 /nfs/dbraw/zinc/69/09/81/780690981.db2.gz GYUHDDDOTBDWNT-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001105559179 780762778 /nfs/dbraw/zinc/76/27/78/780762778.db2.gz MBRKRHLSSRWYHE-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576651 780772678 /nfs/dbraw/zinc/77/26/78/780772678.db2.gz KAAKYYRRQPLQAC-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692931 780828389 /nfs/dbraw/zinc/82/83/89/780828389.db2.gz DSVXJJJLNPBRPB-IKGGRYGDSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898822 783235884 /nfs/dbraw/zinc/23/58/84/783235884.db2.gz RIACXHUHVCBPMF-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948365555 783440818 /nfs/dbraw/zinc/44/08/18/783440818.db2.gz QHPSZRJTFBKSLF-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001212336076 783466424 /nfs/dbraw/zinc/46/64/24/783466424.db2.gz UAQBBOHRRHQMSW-HNNXBMFYSA-N 2 0 303.341 2.050 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647179 783548885 /nfs/dbraw/zinc/54/88/85/783548885.db2.gz FHQIOKDGZNTWST-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001085245251 783601464 /nfs/dbraw/zinc/60/14/64/783601464.db2.gz QIPCZQPWSASPIO-KFWWJZLASA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968378448 784341038 /nfs/dbraw/zinc/34/10/38/784341038.db2.gz PXVDAUNBTCPXBM-JKSUJKDBSA-N 2 0 318.465 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119659 784420195 /nfs/dbraw/zinc/42/01/95/784420195.db2.gz VZFDREUMDXKIFS-YYIAUSFCSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008751160 785294423 /nfs/dbraw/zinc/29/44/23/785294423.db2.gz ZARATFKEWRJPLH-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614537 785494175 /nfs/dbraw/zinc/49/41/75/785494175.db2.gz XOPBTVYAVHJKSU-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP 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 785531817 /nfs/dbraw/zinc/53/18/17/785531817.db2.gz IGHAMINPOACPIR-JYJNAYRXSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247582 791122361 /nfs/dbraw/zinc/12/23/61/791122361.db2.gz MKYSYJCVSCUEQI-UKRRQHHQSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109560530 785927442 /nfs/dbraw/zinc/92/74/42/785927442.db2.gz FUJPVMPNJAQRMY-PMPSAXMXSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001109717609 785995395 /nfs/dbraw/zinc/99/53/95/785995395.db2.gz YFNDRUGEMQPEQM-NCOADZHNSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109718406 785995501 /nfs/dbraw/zinc/99/55/01/785995501.db2.gz GNQSECKGZLLKBV-NCOADZHNSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC001170047883 786157154 /nfs/dbraw/zinc/15/71/54/786157154.db2.gz UMFVQHLSZZFGPN-MSOLQXFVSA-N 2 0 301.434 2.410 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112584203 786165279 /nfs/dbraw/zinc/16/52/79/786165279.db2.gz GNXXEHWWYSMCMS-HKUYNNGSSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001112857351 786259494 /nfs/dbraw/zinc/25/94/94/786259494.db2.gz HGILIOJTFLHYGP-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001158549486 787952742 /nfs/dbraw/zinc/95/27/42/787952742.db2.gz GEKQOMLFYUCWMY-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP 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 787981647 /nfs/dbraw/zinc/98/16/47/787981647.db2.gz RIXITVGELXEKFV-JJTUDDRGSA-N 2 0 305.466 2.014 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266336 787997241 /nfs/dbraw/zinc/99/72/41/787997241.db2.gz WXMXTCTUXNIYQJ-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 788182986 /nfs/dbraw/zinc/18/29/86/788182986.db2.gz KGJLUIYWXATARA-MLHJIOFPSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973364 788240244 /nfs/dbraw/zinc/24/02/44/788240244.db2.gz KMNNPKBVCCDEAZ-ZBFHGGJFSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133069124 788272861 /nfs/dbraw/zinc/27/28/61/788272861.db2.gz OWJBINYNINOHIP-SJORKVTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133181866 788308899 /nfs/dbraw/zinc/30/88/99/788308899.db2.gz JXUCZRFLJWAPGG-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345362 788375790 /nfs/dbraw/zinc/37/57/90/788375790.db2.gz BDLKUNZLCHVDLB-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001133403834 788402347 /nfs/dbraw/zinc/40/23/47/788402347.db2.gz LNKXQORMKBRWML-UHFFFAOYSA-N 2 0 323.868 2.396 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790802 789087949 /nfs/dbraw/zinc/08/79/49/789087949.db2.gz ITZMMFQDOUXUIS-CABCVRRESA-N 2 0 307.482 2.146 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081967 789193606 /nfs/dbraw/zinc/19/36/06/789193606.db2.gz VXFNMIMRSQDUSN-HOTGVXAUSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100603 789198406 /nfs/dbraw/zinc/19/84/06/789198406.db2.gz DRLJONCTWFMVNO-JKSUJKDBSA-N 2 0 317.477 2.463 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481804 789359081 /nfs/dbraw/zinc/35/90/81/789359081.db2.gz XSFQQQQJBOVRHH-IRXDYDNUSA-N 2 0 317.477 2.220 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001170869048 789562032 /nfs/dbraw/zinc/56/20/32/789562032.db2.gz ZWROGLYRLBNVLB-QGZVFWFLSA-N 2 0 303.450 2.351 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071607423 789810572 /nfs/dbraw/zinc/81/05/72/789810572.db2.gz PIYBROLOGUPWHP-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071628172 789825787 /nfs/dbraw/zinc/82/57/87/789825787.db2.gz NWZAALUJDZITPI-GDBMZVCRSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071871191 789951255 /nfs/dbraw/zinc/95/12/55/789951255.db2.gz GNHFXKDQULXWCX-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071996823 790004468 /nfs/dbraw/zinc/00/44/68/790004468.db2.gz VHEFUGGEBBHMEC-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146700875 791335686 /nfs/dbraw/zinc/33/56/86/791335686.db2.gz ISOPMAKUDPVEKG-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147466496 791541911 /nfs/dbraw/zinc/54/19/11/791541911.db2.gz NFZNVKOGSOKICG-KRWDZBQOSA-N 2 0 303.450 2.351 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724652 791605749 /nfs/dbraw/zinc/60/57/49/791605749.db2.gz LRLCJPQNLSRUNL-MRXNPFEDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725726 791607444 /nfs/dbraw/zinc/60/74/44/791607444.db2.gz YZFQKLOYLHTSPT-RDJZCZTQSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148657587 791789974 /nfs/dbraw/zinc/78/99/74/791789974.db2.gz ZCXBNYZNOCLDBQ-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098945144 791995006 /nfs/dbraw/zinc/99/50/06/791995006.db2.gz UIRZXOJNGOXSSO-LPHOPBHVSA-N 2 0 324.428 2.495 20 30 DEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115352 792102304 /nfs/dbraw/zinc/10/23/04/792102304.db2.gz GXNKWPQSXHIYRP-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP 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 792236971 /nfs/dbraw/zinc/23/69/71/792236971.db2.gz WMXJZJBSOZAIMJ-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001100345121 792602581 /nfs/dbraw/zinc/60/25/81/792602581.db2.gz QKIHJGGKPQVYCE-SJJHQCBESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418240 792910188 /nfs/dbraw/zinc/91/01/88/792910188.db2.gz OBTUHZRJDGQAFZ-DODZYUBVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101024676 792969824 /nfs/dbraw/zinc/96/98/24/792969824.db2.gz BWRRWYBYWWMRPZ-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094577283 792990486 /nfs/dbraw/zinc/99/04/86/792990486.db2.gz FECJPSXLVXOJSN-ZHALLVOQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101440980 793161951 /nfs/dbraw/zinc/16/19/51/793161951.db2.gz FCWCMJAYYMKGQY-MJGOQNOKSA-N 2 0 321.509 2.465 20 30 DEEDRP 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 793174026 /nfs/dbraw/zinc/17/40/26/793174026.db2.gz ZRNJLABXSFBLBU-LMMKCTJWSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101567750 793236832 /nfs/dbraw/zinc/23/68/32/793236832.db2.gz BSWFUJJJEXPFKU-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001094955231 793510663 /nfs/dbraw/zinc/51/06/63/793510663.db2.gz UJKOANSAMKFYKP-UAGQMJEPSA-N 2 0 324.428 2.493 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312794 793569612 /nfs/dbraw/zinc/56/96/12/793569612.db2.gz OBURJKHFGRBONV-SOLBZPMBSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001095031102 793597107 /nfs/dbraw/zinc/59/71/07/793597107.db2.gz WELZEWQWQMWJHS-JQHSSLGASA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140000 793954403 /nfs/dbraw/zinc/95/44/03/793954403.db2.gz IIPNUFRFYKLGES-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103754479 794213235 /nfs/dbraw/zinc/21/32/35/794213235.db2.gz GXLIHZHLUIVROB-UKRRQHHQSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185961 794414522 /nfs/dbraw/zinc/41/45/22/794414522.db2.gz RHSZCUGFJHDRMX-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCCC)CC1 ZINC001176737863 794484069 /nfs/dbraw/zinc/48/40/69/794484069.db2.gz NQZVRKNIMOXBNF-QGZVFWFLSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540428 794814824 /nfs/dbraw/zinc/81/48/24/794814824.db2.gz KGXKAUKEKKSKOT-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730724 794899006 /nfs/dbraw/zinc/89/90/06/794899006.db2.gz QOXJSLAGIJNSBX-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736264 794987114 /nfs/dbraw/zinc/98/71/14/794987114.db2.gz RUHLIVIRUDVKTQ-LUKYLMHMSA-N 2 0 307.482 2.262 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179234415 795081233 /nfs/dbraw/zinc/08/12/33/795081233.db2.gz NHOLISLLCAVYAL-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546626 795135403 /nfs/dbraw/zinc/13/54/03/795135403.db2.gz ZHFSMVKIBMRRAU-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179586437 795137291 /nfs/dbraw/zinc/13/72/91/795137291.db2.gz OQAWXXYEYJQFRU-SJORKVTESA-N 2 0 309.498 2.417 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580319 795144829 /nfs/dbraw/zinc/14/48/29/795144829.db2.gz DNCUDTKSAFIGFA-OAHLLOKOSA-N 2 0 315.889 2.489 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788173 795176626 /nfs/dbraw/zinc/17/66/26/795176626.db2.gz PPCISGKUKLKWIP-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180061164 795233805 /nfs/dbraw/zinc/23/38/05/795233805.db2.gz ZENCWUIMSHMINF-IRXDYDNUSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001180372615 795292803 /nfs/dbraw/zinc/29/28/03/795292803.db2.gz DUZNZAOGUFETJQ-GOSISDBHSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120147901 795412678 /nfs/dbraw/zinc/41/26/78/795412678.db2.gz VFYYFSBLQGWBQU-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120448886 795461764 /nfs/dbraw/zinc/46/17/64/795461764.db2.gz HYPPAFYAWXUTCH-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294543 795613088 /nfs/dbraw/zinc/61/30/88/795613088.db2.gz CAMPORBNOFGBPD-LMBQMVEXSA-N 2 0 305.466 2.064 20 30 DEEDRP 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 795661770 /nfs/dbraw/zinc/66/17/70/795661770.db2.gz DNFNPCFXKVYPDM-VUHPKUFZSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122242557 795739246 /nfs/dbraw/zinc/73/92/46/795739246.db2.gz IUZBBXGFKNRCAL-UHFFFAOYSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001183091596 795798953 /nfs/dbraw/zinc/79/89/53/795798953.db2.gz JRJYAPGHRQJFFZ-UHFFFAOYSA-N 2 0 305.466 2.149 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185053780 796171152 /nfs/dbraw/zinc/17/11/52/796171152.db2.gz VIXZOBFTRAWVCD-IRXDYDNUSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001186075499 796353203 /nfs/dbraw/zinc/35/32/03/796353203.db2.gz VSGBGJSYSKTUFF-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186355469 796393143 /nfs/dbraw/zinc/39/31/43/796393143.db2.gz AOPQKIHFHXBEKW-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001187004707 796470577 /nfs/dbraw/zinc/47/05/77/796470577.db2.gz UXAGUVQWQFCKGY-MJGOQNOKSA-N 2 0 315.461 2.230 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161219520 796693177 /nfs/dbraw/zinc/69/31/77/796693177.db2.gz JBCUGBBDDVULFO-KRWDZBQOSA-N 2 0 319.493 2.433 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189913545 796901589 /nfs/dbraw/zinc/90/15/89/796901589.db2.gz TZPJYPNXCAFXLF-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654190 797048910 /nfs/dbraw/zinc/04/89/10/797048910.db2.gz IABYZIXDXQNOEX-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190653545 797049240 /nfs/dbraw/zinc/04/92/40/797049240.db2.gz DIESDHJGBCVYEC-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654189 797050429 /nfs/dbraw/zinc/05/04/29/797050429.db2.gz IABYZIXDXQNOEX-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144173 797154196 /nfs/dbraw/zinc/15/41/96/797154196.db2.gz JROXPYNDJBVBHH-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561733 797227768 /nfs/dbraw/zinc/22/77/68/797227768.db2.gz SMNRAMJUKVAZSX-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368115 797329065 /nfs/dbraw/zinc/32/90/65/797329065.db2.gz JWTRFRPDVFAMEP-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192655852 797424016 /nfs/dbraw/zinc/42/40/16/797424016.db2.gz PHEXWCLAKOXIEJ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178453 797480265 /nfs/dbraw/zinc/48/02/65/797480265.db2.gz JPUMKYZHMSDJOU-CQSZACIVSA-N 2 0 300.406 2.351 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455463 797538683 /nfs/dbraw/zinc/53/86/83/797538683.db2.gz RJIFEJXUPPWQBC-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425558 797565847 /nfs/dbraw/zinc/56/58/47/797565847.db2.gz YVBMMTBOOSAVGC-SFHVURJKSA-N 2 0 321.509 2.445 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203781261 797587247 /nfs/dbraw/zinc/58/72/47/797587247.db2.gz JVWMFQBFUKALBK-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194265255 797702214 /nfs/dbraw/zinc/70/22/14/797702214.db2.gz COLPZFQJJBOCAK-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001195284272 797870825 /nfs/dbraw/zinc/87/08/25/797870825.db2.gz STRQCIJZULYCAA-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156342064 797979272 /nfs/dbraw/zinc/97/92/72/797979272.db2.gz TYJULGNIKFAVQX-VQIMIIECSA-N 2 0 317.477 2.476 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001196163017 798014197 /nfs/dbraw/zinc/01/41/97/798014197.db2.gz FBVLDSLWBIMQGN-WBVHZDCISA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001196917102 798121615 /nfs/dbraw/zinc/12/16/15/798121615.db2.gz CNZFBRFAFSEYOW-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973595 798319230 /nfs/dbraw/zinc/31/92/30/798319230.db2.gz KHVTXAURFSYBTI-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158913964 798489367 /nfs/dbraw/zinc/48/93/67/798489367.db2.gz IAGYUDMHVRQQPJ-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200841709 798686230 /nfs/dbraw/zinc/68/62/30/798686230.db2.gz UYMNHGCPJBSDHT-INIZCTEOSA-N 2 0 313.461 2.213 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3ccc(C#N)cc3O)cc[nH+]2)CC1 ZINC001201667788 798780504 /nfs/dbraw/zinc/78/05/04/798780504.db2.gz KGZRLESXIHQWMN-UHFFFAOYSA-N 2 0 309.373 2.154 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161621819 798898147 /nfs/dbraw/zinc/89/81/47/798898147.db2.gz ADBXPLBQNKOHKU-UHFFFAOYSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161862745 798952212 /nfs/dbraw/zinc/95/22/12/798952212.db2.gz JGVGOPDYUNFQPR-WMZOPIPTSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110738728 799002467 /nfs/dbraw/zinc/00/24/67/799002467.db2.gz QNGUMGHROTUOPL-OAGGEKHMSA-N 2 0 307.482 2.404 20 30 DEEDRP N#Cc1c(Cl)cc(Cl)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162294746 799052505 /nfs/dbraw/zinc/05/25/05/799052505.db2.gz VTLZSSXXHRAEGM-UHFFFAOYSA-N 2 0 316.236 2.391 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165456103 799733344 /nfs/dbraw/zinc/73/33/44/799733344.db2.gz RCZZPEAKPGXEHU-MRXNPFEDSA-N 2 0 307.482 2.026 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793581 799952063 /nfs/dbraw/zinc/95/20/63/799952063.db2.gz VHKBCZHSTZFWSE-QGZVFWFLSA-N 2 0 319.493 2.008 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203312883 800034976 /nfs/dbraw/zinc/03/49/76/800034976.db2.gz KBJTWDHXVVRQDV-SFHVURJKSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420791 800044947 /nfs/dbraw/zinc/04/49/47/800044947.db2.gz XDVYDXQMZXQFEM-LSDHHAIUSA-N 2 0 307.482 2.167 20 30 DEEDRP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203698760 800107795 /nfs/dbraw/zinc/10/77/95/800107795.db2.gz AJTPZOQONZDUGY-MRXNPFEDSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420444 800354852 /nfs/dbraw/zinc/35/48/52/800354852.db2.gz UPXHIODICWMJMS-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001206884197 800615289 /nfs/dbraw/zinc/61/52/89/800615289.db2.gz AZQRRHRHJYJKJD-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331601 800956585 /nfs/dbraw/zinc/95/65/85/800956585.db2.gz UWUOBZQSNDYRSR-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208340992 800959545 /nfs/dbraw/zinc/95/95/45/800959545.db2.gz SPPJILYYDHGLJY-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208747845 801062028 /nfs/dbraw/zinc/06/20/28/801062028.db2.gz DDLQPIZHMDXCME-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759818 801064823 /nfs/dbraw/zinc/06/48/23/801064823.db2.gz VGEWGRQUFMNGBF-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208768112 801065334 /nfs/dbraw/zinc/06/53/34/801065334.db2.gz DJUQSIZDCZZINW-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP N#Cc1ncc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1Cl ZINC001210262984 801361616 /nfs/dbraw/zinc/36/16/16/801361616.db2.gz PAPUDPRKLZGDQA-UHFFFAOYSA-N 2 0 314.780 2.155 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211257309 801537448 /nfs/dbraw/zinc/53/74/48/801537448.db2.gz QJOPJWYFIJBTST-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335601 801704464 /nfs/dbraw/zinc/70/44/64/801704464.db2.gz CVWVVAXZVPDPOK-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846628 802033432 /nfs/dbraw/zinc/03/34/32/802033432.db2.gz QKUMQSUGBFUCIR-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1ncc[nH]1 ZINC001234011194 802265361 /nfs/dbraw/zinc/26/53/61/802265361.db2.gz JFIOBQXTRSFIMP-HUUCEWRRSA-N 2 0 304.438 2.230 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234265709 802336798 /nfs/dbraw/zinc/33/67/98/802336798.db2.gz KYYUBBWSWZHPPQ-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222088135 802640225 /nfs/dbraw/zinc/64/02/25/802640225.db2.gz SDWRCQQUHSQFQZ-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001223507849 802796265 /nfs/dbraw/zinc/79/62/65/802796265.db2.gz XBAWVSKZSZADQR-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001226767756 803155745 /nfs/dbraw/zinc/15/57/45/803155745.db2.gz WEUCEDCXDVMQDQ-KZNAEPCWSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001330822547 1149307435 /nfs/dbraw/zinc/30/74/35/1149307435.db2.gz UCMCLWBBAMTUCB-SOUVJXGZSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001331199913 1149395929 /nfs/dbraw/zinc/39/59/29/1149395929.db2.gz NPEWIUQDQVCZAP-ZWKOTPCHSA-N 2 0 321.509 2.415 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001368866127 1148730491 /nfs/dbraw/zinc/73/04/91/1148730491.db2.gz ICBKFLQFVNEPNW-CHWSQXEVSA-N 2 0 301.862 2.096 20 30 DEEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCCCC[NH3+] ZINC001575081398 1069358593 /nfs/dbraw/zinc/35/85/93/1069358593.db2.gz FVBQNCJKZCFTNT-CQSZACIVSA-N 2 0 302.422 2.336 20 30 DEEDRP CC(C)(C#N)c1ccccc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001575100387 1069365975 /nfs/dbraw/zinc/36/59/75/1069365975.db2.gz PVTGCLSWHKSNOO-UHFFFAOYSA-N 2 0 313.445 2.442 20 30 DEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001460800130 1058507754 /nfs/dbraw/zinc/50/77/54/1058507754.db2.gz IBOOZGJSSXPVIP-BEFAXECRSA-N 2 0 322.412 2.197 20 30 DEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001460800136 1058510497 /nfs/dbraw/zinc/51/04/97/1058510497.db2.gz IBOOZGJSSXPVIP-DNVCBOLYSA-N 2 0 322.412 2.197 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500400998 1058750525 /nfs/dbraw/zinc/75/05/25/1058750525.db2.gz BJCUXNQWLLSSIL-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001500405416 1058756672 /nfs/dbraw/zinc/75/66/72/1058756672.db2.gz WKXIVJAEDMCNCF-SFHVURJKSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001500505031 1058864261 /nfs/dbraw/zinc/86/42/61/1058864261.db2.gz HSIDFXGMTQECEO-KRWDZBQOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501637230 1059594791 /nfs/dbraw/zinc/59/47/91/1059594791.db2.gz FETWOJDGHUJLBZ-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001502126514 1059965262 /nfs/dbraw/zinc/96/52/62/1059965262.db2.gz ZZVSXJNXLVNZOM-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001502147130 1060000066 /nfs/dbraw/zinc/00/00/66/1060000066.db2.gz CURCSKUTAIZSRK-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001502953280 1060409279 /nfs/dbraw/zinc/40/92/79/1060409279.db2.gz VLYDHACQSGWOIW-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001505660719 1060832656 /nfs/dbraw/zinc/83/26/56/1060832656.db2.gz NYMJNBHRPKDPJJ-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329091172 1148864514 /nfs/dbraw/zinc/86/45/14/1148864514.db2.gz RXWPSMZMNHFDTO-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCC)CCCCC2)CC1 ZINC001506534384 1062095552 /nfs/dbraw/zinc/09/55/52/1062095552.db2.gz XSTXVEFAEVUSCD-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001479971192 1062130598 /nfs/dbraw/zinc/13/05/98/1062130598.db2.gz MDMKYBALJKFYLZ-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480089059 1062307392 /nfs/dbraw/zinc/30/73/92/1062307392.db2.gz HLNBNOONMYYWIT-SFHVURJKSA-N 2 0 319.493 2.056 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480287984 1062590408 /nfs/dbraw/zinc/59/04/08/1062590408.db2.gz YOGLJSXKRRCPQK-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480317464 1062637012 /nfs/dbraw/zinc/63/70/12/1062637012.db2.gz VPXMRBSHKUMPFY-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001480408734 1062819407 /nfs/dbraw/zinc/81/94/07/1062819407.db2.gz UEEYMLRSZVTCPP-UHFFFAOYSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001507355848 1063147961 /nfs/dbraw/zinc/14/79/61/1063147961.db2.gz NIAJVWSRAAYNFS-AEFFLSMTSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480695632 1063201532 /nfs/dbraw/zinc/20/15/32/1063201532.db2.gz DAJGFXVHSAXNCT-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001508162392 1063587405 /nfs/dbraw/zinc/58/74/05/1063587405.db2.gz NABVKBZEHXPJIS-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001494134039 1064134621 /nfs/dbraw/zinc/13/46/21/1064134621.db2.gz CXZUYXFYSHPMCF-OKZBNKHCSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494178400 1064159502 /nfs/dbraw/zinc/15/95/02/1064159502.db2.gz IYFVQPOYDXJICZ-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001567409686 1064187500 /nfs/dbraw/zinc/18/75/00/1064187500.db2.gz MKCVURTVJKXWOZ-MRXNPFEDSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001567666001 1064329003 /nfs/dbraw/zinc/32/90/03/1064329003.db2.gz PTYRBEIWRFHGSG-ZWKOTPCHSA-N 2 0 315.461 2.043 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001568117767 1064654686 /nfs/dbraw/zinc/65/46/86/1064654686.db2.gz WLDUOAPRUZMGBG-HNNXBMFYSA-N 2 0 309.841 2.177 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC(=C)C)C(C)C)CC1 ZINC001568470727 1064892771 /nfs/dbraw/zinc/89/27/71/1064892771.db2.gz UIFHBYFUWQMYQE-GOSISDBHSA-N 2 0 319.493 2.028 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001496316112 1065404676 /nfs/dbraw/zinc/40/46/76/1065404676.db2.gz YBWSQAIVNHCFLX-ZWKOTPCHSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCCC1 ZINC001496320324 1065405850 /nfs/dbraw/zinc/40/58/50/1065405850.db2.gz KIQXVARZKRWDCU-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569376281 1065473130 /nfs/dbraw/zinc/47/31/30/1065473130.db2.gz IJXVDFXEVKDKBY-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386855 1065484356 /nfs/dbraw/zinc/48/43/56/1065484356.db2.gz WZDXBBSGTCDAPE-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001569436662 1065505517 /nfs/dbraw/zinc/50/55/17/1065505517.db2.gz KKYFRHBPPYFZAI-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001569563813 1065597227 /nfs/dbraw/zinc/59/72/27/1065597227.db2.gz XNLUJWHJINVCEC-WMZOPIPTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001569702150 1065680251 /nfs/dbraw/zinc/68/02/51/1065680251.db2.gz QGEJCJZKMRTJAU-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001569914381 1065818778 /nfs/dbraw/zinc/81/87/78/1065818778.db2.gz DVULTBZZBNHNNL-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001626536309 1078257222 /nfs/dbraw/zinc/25/72/22/1078257222.db2.gz FMMYKMRVOZUBAW-IBGZPJMESA-N 2 0 315.461 2.133 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001569985653 1065861876 /nfs/dbraw/zinc/86/18/76/1065861876.db2.gz VOBJDFACMLJHIS-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001570005676 1065877995 /nfs/dbraw/zinc/87/79/95/1065877995.db2.gz MJSAIPSICNNBBW-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001570373139 1066037747 /nfs/dbraw/zinc/03/77/47/1066037747.db2.gz KWTSBPLPMDDKCR-MRXNPFEDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001570373896 1066038326 /nfs/dbraw/zinc/03/83/26/1066038326.db2.gz DIRVMIALDRLJRB-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001570375008 1066039215 /nfs/dbraw/zinc/03/92/15/1066039215.db2.gz HQJFKJNFAOVFOC-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498317912 1066630731 /nfs/dbraw/zinc/63/07/31/1066630731.db2.gz VEWYPVOZQTVBCA-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001576639295 1066652338 /nfs/dbraw/zinc/65/23/38/1066652338.db2.gz ZXXJUAMFKHUYSO-ZDUSSCGKSA-N 2 0 314.389 2.430 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001498770663 1066877986 /nfs/dbraw/zinc/87/79/86/1066877986.db2.gz PSMUKXCCLKVNFL-IAGOWNOFSA-N 2 0 305.466 2.064 20 30 DEEDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC001578626659 1067141653 /nfs/dbraw/zinc/14/16/53/1067141653.db2.gz DVSCKSJWHZGQRH-OAHLLOKOSA-N 2 0 311.433 2.409 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001499514940 1067241579 /nfs/dbraw/zinc/24/15/79/1067241579.db2.gz KQODQBVXBBYKQP-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001499523092 1067245438 /nfs/dbraw/zinc/24/54/38/1067245438.db2.gz ZMTUICNUPRKWTA-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1F ZINC001580075965 1067490652 /nfs/dbraw/zinc/49/06/52/1067490652.db2.gz LZYJJAYWFCOQRM-SJORKVTESA-N 2 0 317.408 2.416 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267163862 1078628325 /nfs/dbraw/zinc/62/83/25/1078628325.db2.gz BGOFYHFUWSDXRN-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001570570790 1068012703 /nfs/dbraw/zinc/01/27/03/1068012703.db2.gz OBJYUJFVEDOMBD-CGZBRXJRSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267169298 1078633643 /nfs/dbraw/zinc/63/36/43/1078633643.db2.gz MWOWUPOMXAKAAL-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267172200 1078637154 /nfs/dbraw/zinc/63/71/54/1078637154.db2.gz YNDXAZJODACJLL-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001571157600 1068187726 /nfs/dbraw/zinc/18/77/26/1068187726.db2.gz WBXGVURBFZHPDK-SAABIXHNSA-N 2 0 315.461 2.075 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001571534894 1068402902 /nfs/dbraw/zinc/40/29/02/1068402902.db2.gz USPYMALPHFPTOM-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001571611800 1068439978 /nfs/dbraw/zinc/43/99/78/1068439978.db2.gz MSGJDONVFCVJNG-QGZVFWFLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001571683583 1068478147 /nfs/dbraw/zinc/47/81/47/1068478147.db2.gz KDQRWCYGFSIRBW-WBVHZDCISA-N 2 0 305.466 2.184 20 30 DEEDRP C=C(C)CC[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001267314625 1078759794 /nfs/dbraw/zinc/75/97/94/1078759794.db2.gz MJOIWBBWJGQFHE-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001574852420 1069278187 /nfs/dbraw/zinc/27/81/87/1069278187.db2.gz SGQNIOXPEHPECG-QWHCGFSZSA-N 2 0 311.813 2.003 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267496194 1078921527 /nfs/dbraw/zinc/92/15/27/1078921527.db2.gz OOZIJYPORQTOQQ-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001566534198 1072618682 /nfs/dbraw/zinc/61/86/82/1072618682.db2.gz RZNGTSSKLHJUFW-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001483849490 1079149437 /nfs/dbraw/zinc/14/94/37/1079149437.db2.gz WXCQDALDPJKFAQ-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267603580 1079164359 /nfs/dbraw/zinc/16/43/59/1079164359.db2.gz VALKZPREDMLJOS-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481125061 1079222676 /nfs/dbraw/zinc/22/26/76/1079222676.db2.gz AOWOTAWILOFOMO-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483975524 1079221821 /nfs/dbraw/zinc/22/18/21/1079221821.db2.gz LVHLPRZGZGRHRP-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001484002320 1079237798 /nfs/dbraw/zinc/23/77/98/1079237798.db2.gz URYGMZLCOHXIPN-ZWKOTPCHSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267618866 1079276735 /nfs/dbraw/zinc/27/67/35/1079276735.db2.gz UGSMXAODOQHZDC-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)CN1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001484061738 1079280775 /nfs/dbraw/zinc/28/07/75/1079280775.db2.gz PCNAIWVDPNLOTM-MRXNPFEDSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001481194530 1079322992 /nfs/dbraw/zinc/32/29/92/1079322992.db2.gz KTZYNOHPRRWGOJ-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001565835646 1075193430 /nfs/dbraw/zinc/19/34/30/1075193430.db2.gz QSIXKMRENLCGDB-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001566610792 1075296470 /nfs/dbraw/zinc/29/64/70/1075296470.db2.gz MVVGGWRUKQOUMV-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267700944 1079388546 /nfs/dbraw/zinc/38/85/46/1079388546.db2.gz KQEIDQBHPWVEHM-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566740578 1075332184 /nfs/dbraw/zinc/33/21/84/1075332184.db2.gz ZJXNORUZBAZKBI-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001267709324 1079396132 /nfs/dbraw/zinc/39/61/32/1079396132.db2.gz RCICCJYCBDYROD-PMPSAXMXSA-N 2 0 305.466 2.111 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001566953714 1075397907 /nfs/dbraw/zinc/39/79/07/1075397907.db2.gz ILMXRGMTDPQLAL-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267733374 1079425892 /nfs/dbraw/zinc/42/58/92/1079425892.db2.gz MGSNVZIPJQGQDC-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267745678 1079445431 /nfs/dbraw/zinc/44/54/31/1079445431.db2.gz BDOPVGSAIMSCTH-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001329460268 1148897514 /nfs/dbraw/zinc/89/75/14/1148897514.db2.gz PXMCDTBADKYQIE-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001484563002 1079662331 /nfs/dbraw/zinc/66/23/31/1079662331.db2.gz IOINFBYQEXXSPL-MRXNPFEDSA-N 2 0 315.461 2.317 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001484571048 1079668486 /nfs/dbraw/zinc/66/84/86/1079668486.db2.gz KDHBOZCWOQWQPA-BZSNNMDCSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001484771962 1079787930 /nfs/dbraw/zinc/78/79/30/1079787930.db2.gz JDFKJSUOKKWKDQ-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001484901590 1079845104 /nfs/dbraw/zinc/84/51/04/1079845104.db2.gz GMWMRPJZBBRIFB-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001485067177 1079944924 /nfs/dbraw/zinc/94/49/24/1079944924.db2.gz IZMWMCCRRNOFST-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481504019 1079963669 /nfs/dbraw/zinc/96/36/69/1079963669.db2.gz KFYDAKWQWJCWKU-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001481510581 1079973333 /nfs/dbraw/zinc/97/33/33/1079973333.db2.gz YZYOTECHKBCPSK-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]CC1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001485104869 1079983900 /nfs/dbraw/zinc/98/39/00/1079983900.db2.gz IXWPJPXNPXTEAU-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001268124223 1080091954 /nfs/dbraw/zinc/09/19/54/1080091954.db2.gz RROXTUPRFWXZQI-ROUUACIJSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653187 1080109883 /nfs/dbraw/zinc/10/98/83/1080109883.db2.gz WHOCMRUURDJGAF-NXHRZFHOSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001656909920 1080138016 /nfs/dbraw/zinc/13/80/16/1080138016.db2.gz SOIHSQYVGVFMFQ-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268161812 1080139656 /nfs/dbraw/zinc/13/96/56/1080139656.db2.gz QVPHEEBYYKJGIS-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001268201851 1080189299 /nfs/dbraw/zinc/18/92/99/1080189299.db2.gz ZTBQTBBOPDBCKY-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001485437659 1080207327 /nfs/dbraw/zinc/20/73/27/1080207327.db2.gz JKFXOVUDMNJGTP-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001658472603 1080208298 /nfs/dbraw/zinc/20/82/98/1080208298.db2.gz OUPCXBXGFZLRJJ-QGZVFWFLSA-N 2 0 315.380 2.396 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001485458358 1080226205 /nfs/dbraw/zinc/22/62/05/1080226205.db2.gz YZSBPDBGETVNQS-CQSZACIVSA-N 2 0 304.438 2.183 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001485518971 1080277029 /nfs/dbraw/zinc/27/70/29/1080277029.db2.gz GFZSUSCQLPRLFT-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661235802 1080460351 /nfs/dbraw/zinc/46/03/51/1080460351.db2.gz PCTCFPALHMBUAH-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCN1CCC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272715937 1080482343 /nfs/dbraw/zinc/48/23/43/1080482343.db2.gz AKQPUQYVEPZRSO-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106997506 1080505375 /nfs/dbraw/zinc/50/53/75/1080505375.db2.gz GCXZFNCQLNXERK-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001662108193 1080570240 /nfs/dbraw/zinc/57/02/40/1080570240.db2.gz AFKHLXOVXOLUSI-JCYILVPMSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662675005 1080632203 /nfs/dbraw/zinc/63/22/03/1080632203.db2.gz DHIUMFGVWAUHHW-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001482026821 1080702004 /nfs/dbraw/zinc/70/20/04/1080702004.db2.gz RCANVZUKIGLJAT-SHTZXODSSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001664467142 1080913706 /nfs/dbraw/zinc/91/37/06/1080913706.db2.gz FUCLLZWURDFWRG-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268704958 1080943554 /nfs/dbraw/zinc/94/35/54/1080943554.db2.gz BNAAUGXJGPTKAC-JQHSSLGASA-N 2 0 315.461 2.002 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269046693 1081096384 /nfs/dbraw/zinc/09/63/84/1081096384.db2.gz YLLNTWHXLQFSJO-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001665940258 1081100515 /nfs/dbraw/zinc/10/05/15/1081100515.db2.gz PBMNTVZFJDHRCS-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001666152567 1081128473 /nfs/dbraw/zinc/12/84/73/1081128473.db2.gz QRLGNPCWRBLFAX-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001666323452 1081144006 /nfs/dbraw/zinc/14/40/06/1081144006.db2.gz PFRHFBGBZGMXBH-DSPLQEQRSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001666323454 1081144195 /nfs/dbraw/zinc/14/41/95/1081144195.db2.gz PFRHFBGBZGMXBH-QBPKDAKJSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001666403582 1081150487 /nfs/dbraw/zinc/15/04/87/1081150487.db2.gz NFDLXMIDGKNLDR-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001666425392 1081151701 /nfs/dbraw/zinc/15/17/01/1081151701.db2.gz ZRJHEGSFVYIVGK-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001269254644 1081185405 /nfs/dbraw/zinc/18/54/05/1081185405.db2.gz CWXKENOJPACXRX-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001667133847 1081215029 /nfs/dbraw/zinc/21/50/29/1081215029.db2.gz ACVWXIVINDFFAP-MSOLQXFVSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001667351606 1081241393 /nfs/dbraw/zinc/24/13/93/1081241393.db2.gz FWYYVEQTDUWNIE-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001269489273 1081263741 /nfs/dbraw/zinc/26/37/41/1081263741.db2.gz LVCMKTOFVBTHLZ-KRWDZBQOSA-N 2 0 311.445 2.013 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001667695305 1081275801 /nfs/dbraw/zinc/27/58/01/1081275801.db2.gz VZNCGDHBYYKUNB-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001269738493 1081352348 /nfs/dbraw/zinc/35/23/48/1081352348.db2.gz RPBVGRFMICZFDN-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001668464648 1081358914 /nfs/dbraw/zinc/35/89/14/1081358914.db2.gz WEVRGQWAODPEIO-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668883794 1081406711 /nfs/dbraw/zinc/40/67/11/1081406711.db2.gz SZYDLQGBHBBEIR-KEGWNNHHSA-N 2 0 319.493 2.479 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668883795 1081407089 /nfs/dbraw/zinc/40/70/89/1081407089.db2.gz SZYDLQGBHBBEIR-OSJSJHBBSA-N 2 0 319.493 2.479 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001672419531 1081594390 /nfs/dbraw/zinc/59/43/90/1081594390.db2.gz LJPMGEJNWKHSRY-WCXIOVBPSA-N 2 0 307.482 2.072 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001673238641 1081748770 /nfs/dbraw/zinc/74/87/70/1081748770.db2.gz WXMRPRCJCSNELJ-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001673450129 1081771671 /nfs/dbraw/zinc/77/16/71/1081771671.db2.gz PJSCJWWQKAMATB-UHFFFAOYSA-N 2 0 300.406 2.223 20 30 DEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001674352681 1081864008 /nfs/dbraw/zinc/86/40/08/1081864008.db2.gz GSEJHOFZRGWLKN-SFHVURJKSA-N 2 0 321.509 2.156 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001270991912 1081866955 /nfs/dbraw/zinc/86/69/55/1081866955.db2.gz QWOVWKWLSNRIDS-AEFFLSMTSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271016790 1081876553 /nfs/dbraw/zinc/87/65/53/1081876553.db2.gz JFHLMFCZRDHTMH-LJQANCHMSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001674595619 1081892543 /nfs/dbraw/zinc/89/25/43/1081892543.db2.gz TTWHJBRGGVHTST-UHFFFAOYSA-N 2 0 319.493 2.169 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001271578002 1082084279 /nfs/dbraw/zinc/08/42/79/1082084279.db2.gz ZJVJNYXCBQLIGE-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271653939 1082100998 /nfs/dbraw/zinc/10/09/98/1082100998.db2.gz AQZZCQKXAREHLT-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001271770381 1082149941 /nfs/dbraw/zinc/14/99/41/1082149941.db2.gz NKGCXBZITGBRJD-BZSNNMDCSA-N 2 0 321.509 2.108 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001266617668 1082220113 /nfs/dbraw/zinc/22/01/13/1082220113.db2.gz SCBGIOYXXQFPQX-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266874436 1082422160 /nfs/dbraw/zinc/42/21/60/1082422160.db2.gz LOJDLTPWEYACGN-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001671678842 1082442244 /nfs/dbraw/zinc/44/22/44/1082442244.db2.gz PJMLYMRZOXHTHA-GOSISDBHSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482685329 1082481153 /nfs/dbraw/zinc/48/11/53/1082481153.db2.gz OILVGCAVZYQRGL-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]21 ZINC001496862291 1083053772 /nfs/dbraw/zinc/05/37/72/1083053772.db2.gz IWPVJWOHCWAXQI-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001276609177 1083513331 /nfs/dbraw/zinc/51/33/31/1083513331.db2.gz VKNBSGAZSQXLJS-OAHLLOKOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001276839506 1083639994 /nfs/dbraw/zinc/63/99/94/1083639994.db2.gz JPUQZFVSWHEPKU-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001277200396 1083843951 /nfs/dbraw/zinc/84/39/51/1083843951.db2.gz IAWYXXLDPZXGLO-AWEZNQCLSA-N 2 0 321.490 2.321 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281557314 1084088142 /nfs/dbraw/zinc/08/81/42/1084088142.db2.gz OKNFZJMSVOMYBB-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001491356432 1084252559 /nfs/dbraw/zinc/25/25/59/1084252559.db2.gz OILIORQJEXLRNN-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCN(CC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1)C(=O)OCC ZINC001235232041 1084353953 /nfs/dbraw/zinc/35/39/53/1084353953.db2.gz GONMYRNOJICUOY-QGZVFWFLSA-N 2 0 323.481 2.485 20 30 DEEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277937456 1084388518 /nfs/dbraw/zinc/38/85/18/1084388518.db2.gz FCNCTDVRAJSVBM-PBHICJAKSA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001078757171 1084850645 /nfs/dbraw/zinc/85/06/45/1084850645.db2.gz QBSCGVGBSSHQCY-DLBZAZTESA-N 2 0 319.493 2.311 20 30 DEEDRP 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 1085281367 /nfs/dbraw/zinc/28/13/67/1085281367.db2.gz YIIZNLWUZFVMEX-HRCADAONSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000965347886 1085595525 /nfs/dbraw/zinc/59/55/25/1085595525.db2.gz RRSINDNHVTVGSX-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000965933068 1085700416 /nfs/dbraw/zinc/70/04/16/1085700416.db2.gz LMIAWDSWCQPADF-ANUBTTBHSA-N 2 0 305.466 2.062 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961413015 1085723461 /nfs/dbraw/zinc/72/34/61/1085723461.db2.gz WREFQBZFCNZUKZ-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000963366761 1086428243 /nfs/dbraw/zinc/42/82/43/1086428243.db2.gz MTQFITHVFHJYGT-WBVHZDCISA-N 2 0 316.449 2.231 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000963385862 1086437816 /nfs/dbraw/zinc/43/78/16/1086437816.db2.gz NPSGYKPLQDVGKU-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001114724947 1088295234 /nfs/dbraw/zinc/29/52/34/1088295234.db2.gz WAFZVPPJIJGIAU-WNRNVDISSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084471823 1090299027 /nfs/dbraw/zinc/29/90/27/1090299027.db2.gz OBXQCHNUGWXFLX-CRAIPNDOSA-N 2 0 324.428 2.365 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084598709 1090343406 /nfs/dbraw/zinc/34/34/06/1090343406.db2.gz BGHOTJDGQJEIAB-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 1090592825 /nfs/dbraw/zinc/59/28/25/1090592825.db2.gz NUAVCNRLMLGHMJ-MHORFTMASA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001274434307 1091242516 /nfs/dbraw/zinc/24/25/16/1091242516.db2.gz CZLVBZIFBSILOP-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001273426641 1091349477 /nfs/dbraw/zinc/34/94/77/1091349477.db2.gz CKDAAJSPQLYKOA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCC[N@H+]1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274974658 1091497650 /nfs/dbraw/zinc/49/76/50/1091497650.db2.gz OMOZTAXVYDCWBY-SFHVURJKSA-N 2 0 309.498 2.071 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275109241 1091563692 /nfs/dbraw/zinc/56/36/92/1091563692.db2.gz YDHPUHFKZYVLMM-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001671084527 1091762919 /nfs/dbraw/zinc/76/29/19/1091762919.db2.gz CELXLBDVXOZWBZ-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775638 1091928492 /nfs/dbraw/zinc/92/84/92/1091928492.db2.gz NOTPFKBURTZYLV-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCN1c2ccccc2[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711734 1092008805 /nfs/dbraw/zinc/00/88/05/1092008805.db2.gz HDLPOIICRUWITN-LJQANCHMSA-N 2 0 313.445 2.114 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001273795738 1092054707 /nfs/dbraw/zinc/05/47/07/1092054707.db2.gz MVHLIAHLZHWYQQ-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001488947183 1092843857 /nfs/dbraw/zinc/84/38/57/1092843857.db2.gz KXSDEDSLSQYWOW-RCCFBDPRSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490311479 1093302956 /nfs/dbraw/zinc/30/29/56/1093302956.db2.gz XMHNQDWXGFFXQE-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490447882 1093362510 /nfs/dbraw/zinc/36/25/10/1093362510.db2.gz JWBYOVNJQHVDHS-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001278168610 1138812601 /nfs/dbraw/zinc/81/26/01/1138812601.db2.gz FCEMHSIXCDEXFE-FUHWJXTLSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316664270 1140039491 /nfs/dbraw/zinc/03/94/91/1140039491.db2.gz NNUFWTPETSXFDV-GVDBMIGSSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001491604050 1140243827 /nfs/dbraw/zinc/24/38/27/1140243827.db2.gz XUEFPGWVRHALAW-KGLIPLIRSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001319000132 1140488979 /nfs/dbraw/zinc/48/89/79/1140488979.db2.gz KRDQGEOAISPUQX-MRXNPFEDSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001319019374 1140490663 /nfs/dbraw/zinc/49/06/63/1140490663.db2.gz KXFKVFHBRBXRMI-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001319918468 1140803618 /nfs/dbraw/zinc/80/36/18/1140803618.db2.gz PJPKSAXGSQYFPK-IAGOWNOFSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001320184435 1140836111 /nfs/dbraw/zinc/83/61/11/1140836111.db2.gz AASHTEYKPRSSEO-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C[C@@H]1CC[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]1 ZINC001246364916 1140888920 /nfs/dbraw/zinc/88/89/20/1140888920.db2.gz XBPTZJMVFZDBNQ-DNVCBOLYSA-N 2 0 312.461 2.253 20 30 DEEDRP CCCCCCC[C@H](C)[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246624046 1141009230 /nfs/dbraw/zinc/00/92/30/1141009230.db2.gz DGPJHBRVNYLNOR-YJBOKZPZSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246730683 1141046202 /nfs/dbraw/zinc/04/62/02/1141046202.db2.gz AEHLSSKYPSUMFG-JZXOWHBKSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001324260799 1142042323 /nfs/dbraw/zinc/04/23/23/1142042323.db2.gz LEOJMNJLILLTTD-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001324340195 1142057972 /nfs/dbraw/zinc/05/79/72/1142057972.db2.gz QWBCBRICLILLJA-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324556753 1142099099 /nfs/dbraw/zinc/09/90/99/1142099099.db2.gz LLBSSEJJTLDFEX-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001278662479 1142694436 /nfs/dbraw/zinc/69/44/36/1142694436.db2.gz CGZYRANESALAND-RDJZCZTQSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001252481978 1142729738 /nfs/dbraw/zinc/72/97/38/1142729738.db2.gz GZEIXSMEBZLBKM-LJQANCHMSA-N 2 0 318.461 2.052 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001252492372 1142734059 /nfs/dbraw/zinc/73/40/59/1142734059.db2.gz YCYHDUZNBZCINA-GOSISDBHSA-N 2 0 310.482 2.184 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C[C@H]2CCOC2)C1 ZINC001338380437 1142852308 /nfs/dbraw/zinc/85/23/08/1142852308.db2.gz CCVGFBMEPRAVQZ-HZPDHXFCSA-N 2 0 324.513 2.089 20 30 DEEDRP C=CCCCCCC[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001253249715 1142857165 /nfs/dbraw/zinc/85/71/65/1142857165.db2.gz NOXBXHUPFUQJCE-SFHVURJKSA-N 2 0 312.498 2.168 20 30 DEEDRP C#CCN1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC001338504710 1142860231 /nfs/dbraw/zinc/86/02/31/1142860231.db2.gz JSFVKFWZDWPZAS-INIZCTEOSA-N 2 0 310.800 2.200 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC001340041174 1143244185 /nfs/dbraw/zinc/24/41/85/1143244185.db2.gz GDRYCJHAQNQLMG-ZACQAIPSSA-N 2 0 307.482 2.047 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCOC(C)(C)C2)CC1 ZINC001255551789 1143746757 /nfs/dbraw/zinc/74/67/57/1143746757.db2.gz PJTNGQUSTKBNMX-GOSISDBHSA-N 2 0 321.509 2.236 20 30 DEEDRP C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001342535154 1143822554 /nfs/dbraw/zinc/82/25/54/1143822554.db2.gz HBDGEWMNMOCBSH-BHYGNILZSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256627134 1143858389 /nfs/dbraw/zinc/85/83/89/1143858389.db2.gz ZSGYRZKXJBLRGB-VUXNLXKLSA-N 2 0 320.477 2.438 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC001263130054 1144357534 /nfs/dbraw/zinc/35/75/34/1144357534.db2.gz JCCOGKSYBJUGAJ-ZACQAIPSSA-N 2 0 319.424 2.153 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001263993374 1144439082 /nfs/dbraw/zinc/43/90/82/1144439082.db2.gz CHHNDGLBBIQYRN-KURKYZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC001264176552 1144494597 /nfs/dbraw/zinc/49/45/97/1144494597.db2.gz GHYQOILQQKTIOX-BPQIPLTHSA-N 2 0 315.461 2.444 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001264185816 1144501869 /nfs/dbraw/zinc/50/18/69/1144501869.db2.gz KRWDJRFNAQLSRL-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265114817 1144647966 /nfs/dbraw/zinc/64/79/66/1144647966.db2.gz PLJYAGISHAUBQH-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cn2ccnc2)CC1 ZINC001265201110 1144665038 /nfs/dbraw/zinc/66/50/38/1144665038.db2.gz IHNJVINGLJGZJU-OAHLLOKOSA-N 2 0 304.438 2.161 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001265306047 1144688855 /nfs/dbraw/zinc/68/88/55/1144688855.db2.gz ISTGIHVYJHMEHE-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001265374498 1144699463 /nfs/dbraw/zinc/69/94/63/1144699463.db2.gz NTCLXELOLPTGJU-DLBZAZTESA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001265670288 1144725232 /nfs/dbraw/zinc/72/52/32/1144725232.db2.gz MXQZGNSEDOFRRI-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266099369 1144805169 /nfs/dbraw/zinc/80/51/69/1144805169.db2.gz FDIXOXALSNPMJP-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266112853 1144806640 /nfs/dbraw/zinc/80/66/40/1144806640.db2.gz BMIJIRNBPJYAOD-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001280769716 1144854098 /nfs/dbraw/zinc/85/40/98/1144854098.db2.gz KFGOQXXMSOFJPW-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001281035448 1144869486 /nfs/dbraw/zinc/86/94/86/1144869486.db2.gz ATRKRJJMPVNLHS-INIZCTEOSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001281049878 1144870515 /nfs/dbraw/zinc/87/05/15/1144870515.db2.gz NDTMSROOVIPACQ-CALCHBBNSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001281830666 1144915575 /nfs/dbraw/zinc/91/55/75/1144915575.db2.gz LDMYRZKVMYBKPA-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001282015884 1144928476 /nfs/dbraw/zinc/92/84/76/1144928476.db2.gz QCYBWOBMBRMSKW-JCYILVPMSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001282644464 1145108714 /nfs/dbraw/zinc/10/87/14/1145108714.db2.gz YXHUSFJXGDTTJD-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001284072796 1145785978 /nfs/dbraw/zinc/78/59/78/1145785978.db2.gz WCNDLVSEVWDNGX-JFIYKMOQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001284604537 1145877974 /nfs/dbraw/zinc/87/79/74/1145877974.db2.gz QNRJHMYKMRTOGP-JKSUJKDBSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001316638436 1146077733 /nfs/dbraw/zinc/07/77/33/1146077733.db2.gz VZIDSBKCXOKOIO-XSLAGTTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001491857147 1146922918 /nfs/dbraw/zinc/92/29/18/1146922918.db2.gz XSFKMWQGGGAODI-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001317199434 1147272940 /nfs/dbraw/zinc/27/29/40/1147272940.db2.gz KSYHMTBHHVDGDE-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317205024 1147274913 /nfs/dbraw/zinc/27/49/13/1147274913.db2.gz OTKLNPDYFPJMNU-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001317503477 1147536064 /nfs/dbraw/zinc/53/60/64/1147536064.db2.gz NXOYPGGZGYIDFT-HNNXBMFYSA-N 2 0 304.438 2.083 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317045054 1147581191 /nfs/dbraw/zinc/58/11/91/1147581191.db2.gz OHTUUYMZJJFUPJ-SFHVURJKSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001316996987 1147646692 /nfs/dbraw/zinc/64/66/92/1147646692.db2.gz BPBGZPFOIZSXAD-HOTGVXAUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317064511 1147655316 /nfs/dbraw/zinc/65/53/16/1147655316.db2.gz RWZXJIOGYSRMDM-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317158472 1147667949 /nfs/dbraw/zinc/66/79/49/1147667949.db2.gz UOVHJXBUVDJBHM-INIZCTEOSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001317203860 1147676109 /nfs/dbraw/zinc/67/61/09/1147676109.db2.gz APIQINQMPZNLOM-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(Cl)CN(C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001367539451 1147712200 /nfs/dbraw/zinc/71/22/00/1147712200.db2.gz ZYUTYRJXCLDCOR-UHFFFAOYSA-N 2 0 303.878 2.107 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001317708474 1147746169 /nfs/dbraw/zinc/74/61/69/1147746169.db2.gz CJNXVCHKTXUQLS-IAGOWNOFSA-N 2 0 307.482 2.099 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001317723398 1147747536 /nfs/dbraw/zinc/74/75/36/1147747536.db2.gz GNHOHVSAXHGBFG-SJLPKXTDSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001317879930 1147760042 /nfs/dbraw/zinc/76/00/42/1147760042.db2.gz NJGGQZXDASTGPT-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001318225264 1147801097 /nfs/dbraw/zinc/80/10/97/1147801097.db2.gz WFFBKWGYHCOSRV-ULQDDVLXSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[C@@H](C)n1ccnc1 ZINC001325701663 1147985667 /nfs/dbraw/zinc/98/56/67/1147985667.db2.gz NPWSDDITNZGXGK-QGZVFWFLSA-N 2 0 324.428 2.086 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001326899379 1148284769 /nfs/dbraw/zinc/28/47/69/1148284769.db2.gz OASHIFZTLVLXRZ-CVEARBPZSA-N 2 0 305.466 2.208 20 30 DEEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192747200 282971374 /nfs/dbraw/zinc/97/13/74/282971374.db2.gz GEKHSCNTVADCBW-WBVHZDCISA-N 2 0 313.449 2.005 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181500667 356083268 /nfs/dbraw/zinc/08/32/68/356083268.db2.gz PPIXBTVNCCDQMA-HZPDHXFCSA-N 2 0 300.450 2.235 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181500610 356083897 /nfs/dbraw/zinc/08/38/97/356083897.db2.gz PPIXBTVNCCDQMA-HOTGVXAUSA-N 2 0 300.450 2.235 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662689118 540333732 /nfs/dbraw/zinc/33/37/32/540333732.db2.gz DYRDWVDQPDADDI-HKUYNNGSSA-N 2 0 315.461 2.412 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc(C#N)cc1 ZINC000595388246 358436982 /nfs/dbraw/zinc/43/69/82/358436982.db2.gz DLDIUDQMTCHEKL-CEXWTWQISA-N 2 0 313.445 2.284 20 30 DEEDRP COCC#CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000682533825 542315068 /nfs/dbraw/zinc/31/50/68/542315068.db2.gz LNUMAQMGZRNXDK-IAGOWNOFSA-N 2 0 300.446 2.382 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NCc1cccc(C[NH+](C)C)c1 ZINC000103337843 402185422 /nfs/dbraw/zinc/18/54/22/402185422.db2.gz XDRZMJGEVCZTTN-UHFFFAOYSA-N 2 0 300.406 2.206 20 30 DEEDRP CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000177383483 402396757 /nfs/dbraw/zinc/39/67/57/402396757.db2.gz FZFVPLDAZMONHJ-UHFFFAOYSA-N 2 0 300.450 2.016 20 30 DEEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000170913178 402541459 /nfs/dbraw/zinc/54/14/59/402541459.db2.gz ZRTYOGFNQMKKRU-QGZVFWFLSA-N 2 0 318.465 2.383 20 30 DEEDRP CCC[N@@H+](CC#Cc1ccccc1)CCN1CC[NH+](CC)CC1 ZINC000344126286 403927094 /nfs/dbraw/zinc/92/70/94/403927094.db2.gz GVIJKMQXKUXNON-UHFFFAOYSA-N 2 0 313.489 2.388 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351902677 403996577 /nfs/dbraw/zinc/99/65/77/403996577.db2.gz VRFLCFBPMDPCAE-HNNXBMFYSA-N 2 0 322.497 2.009 20 30 DEEDRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238306 403999713 /nfs/dbraw/zinc/99/97/13/403999713.db2.gz ISJYEPNJMIBFIJ-KMFMINBZSA-N 2 0 316.424 2.206 20 30 DEEDRP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000350725399 404450918 /nfs/dbraw/zinc/45/09/18/404450918.db2.gz WLBZBAPWBUVGCM-XMTFNYHQSA-N 2 0 308.466 2.084 20 30 DEEDRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424154380 405024009 /nfs/dbraw/zinc/02/40/09/405024009.db2.gz LSFWELCAKWTGPE-GOEBONIOSA-N 2 0 316.449 2.253 20 30 DEEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000490924195 406507962 /nfs/dbraw/zinc/50/79/62/406507962.db2.gz OERYGLOCNGBVKB-QGZVFWFLSA-N 2 0 321.509 2.204 20 30 DEEDRP CN(C)C(=[NH+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000261965841 225260806 /nfs/dbraw/zinc/26/08/06/225260806.db2.gz BDXKHOBZILZQHV-KRWDZBQOSA-N 2 0 302.466 2.030 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000662707894 425719264 /nfs/dbraw/zinc/71/92/64/425719264.db2.gz OHCKMQJBBOOEOT-SFHVURJKSA-N 2 0 305.466 2.162 20 30 DEEDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000246271972 276387797 /nfs/dbraw/zinc/38/77/97/276387797.db2.gz BKNYTWVBMMXLFW-APWZRJJASA-N 2 0 312.461 2.331 20 30 DEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000374175768 277036289 /nfs/dbraw/zinc/03/62/89/277036289.db2.gz RMZACXWQSRMIRO-GOSISDBHSA-N 2 0 313.445 2.399 20 30 DEEDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000362032553 290017887 /nfs/dbraw/zinc/01/78/87/290017887.db2.gz NLRZCSUMCAGKGX-MAUKXSAKSA-N 2 0 312.461 2.377 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001329759431 1148988512 /nfs/dbraw/zinc/98/85/12/1148988512.db2.gz CAVGQOIEUSWDNC-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000189391568 340535062 /nfs/dbraw/zinc/53/50/62/340535062.db2.gz YFGCLTOHEAQDNL-UHFFFAOYSA-N 2 0 310.486 2.010 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCCCCC2)N1 ZINC000262478455 533991095 /nfs/dbraw/zinc/99/10/95/533991095.db2.gz CNXFUWQAYUPHHL-HNNXBMFYSA-N 2 0 300.450 2.500 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)N1 ZINC000262628008 533989717 /nfs/dbraw/zinc/98/97/17/533989717.db2.gz DXHWMFQSWIZYGT-CABCVRRESA-N 2 0 300.450 2.356 20 30 DEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N(C)C[C@@H]1CCOC1 ZINC000261640062 526350772 /nfs/dbraw/zinc/35/07/72/526350772.db2.gz KSJGRAJNDXDAKU-INIZCTEOSA-N 2 0 324.513 2.185 20 30 DEEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N(C)C[C@H]1CCOC1 ZINC000261626093 526378371 /nfs/dbraw/zinc/37/83/71/526378371.db2.gz IPIGORJUEWULRT-JZXOWHBKSA-N 2 0 324.513 2.041 20 30 DEEDRP C=CCOc1cccc(C[NH2+]CC2(COC)CC[NH2+]CC2)c1 ZINC000414953783 526901236 /nfs/dbraw/zinc/90/12/36/526901236.db2.gz KCBIOJYVRATLOI-UHFFFAOYSA-N 2 0 304.434 2.357 20 30 DEEDRP C#Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000377656267 527433594 /nfs/dbraw/zinc/43/35/94/527433594.db2.gz RVDMMUDUVNPGRY-YLJYHZDGSA-N 2 0 311.473 2.126 20 30 DEEDRP CC[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)N1CCSC(C)(C)C1 ZINC000262033539 528809841 /nfs/dbraw/zinc/80/98/41/528809841.db2.gz XLRCQCGMMUYGNW-AWEZNQCLSA-N 2 0 312.527 2.120 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(Cl)cccc1OC ZINC000191151842 529075104 /nfs/dbraw/zinc/07/51/04/529075104.db2.gz YQVKFVDZCGWCFD-GFCCVEGCSA-N 2 0 324.856 2.237 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001379462021 1152628192 /nfs/dbraw/zinc/62/81/92/1152628192.db2.gz AFIJLFWZVFGPRI-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023464098 625282538 /nfs/dbraw/zinc/28/25/38/625282538.db2.gz CGDHUJZEFVJNDP-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001025253907 625309515 /nfs/dbraw/zinc/30/95/15/625309515.db2.gz YGEXKWPOHQQKBJ-IRXDYDNUSA-N 2 0 316.449 2.223 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023561422 625325476 /nfs/dbraw/zinc/32/54/76/625325476.db2.gz ZYEWNNQQGBKJHR-OAHLLOKOSA-N 2 0 319.449 2.359 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000972701068 625469112 /nfs/dbraw/zinc/46/91/12/625469112.db2.gz SHKLFFROWAXICQ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001026571864 625531659 /nfs/dbraw/zinc/53/16/59/625531659.db2.gz QFCIXZNCLOKVAX-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026592600 625549481 /nfs/dbraw/zinc/54/94/81/625549481.db2.gz HYXJNIZWWJQVSU-NFOMZHRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001020748837 623107428 /nfs/dbraw/zinc/10/74/28/623107428.db2.gz GOQQFCGANOIJEQ-QAQDUYKDSA-N 2 0 301.434 2.175 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970717057 623638224 /nfs/dbraw/zinc/63/82/24/623638224.db2.gz VNHHSLBUHQYXOJ-HNNXBMFYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021633777 623867661 /nfs/dbraw/zinc/86/76/61/623867661.db2.gz TYIIIYZCWHDSLG-QAPCUYQASA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021698883 623981368 /nfs/dbraw/zinc/98/13/68/623981368.db2.gz FEJQXGZLYZKJKF-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000998770007 634399842 /nfs/dbraw/zinc/39/98/42/634399842.db2.gz NASRSGDXTWWVPH-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001022588074 624763670 /nfs/dbraw/zinc/76/36/70/624763670.db2.gz CILBHKVFFZYGAG-UXLLHSPISA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[C@H]1CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000934459024 624881860 /nfs/dbraw/zinc/88/18/60/624881860.db2.gz AWDAZCDLBYIGPE-DLBZAZTESA-N 2 0 301.434 2.056 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972189611 624882274 /nfs/dbraw/zinc/88/22/74/624882274.db2.gz SNXIWJDNDAMYFR-OAHLLOKOSA-N 2 0 305.422 2.064 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506453 624927047 /nfs/dbraw/zinc/92/70/47/624927047.db2.gz QFUDRPGRWNPUKV-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001022807705 624937572 /nfs/dbraw/zinc/93/75/72/624937572.db2.gz LPHWPSLUKJTSJM-KFWWJZLASA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000998868705 634429339 /nfs/dbraw/zinc/42/93/39/634429339.db2.gz XQHXXQYGZCVDET-YMAMQOFZSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972479152 625113993 /nfs/dbraw/zinc/11/39/93/625113993.db2.gz RYAMQONVJSVFMG-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001024440524 625777650 /nfs/dbraw/zinc/77/76/50/625777650.db2.gz QOVRLBOBXQDKEB-QGZVFWFLSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557229 625876876 /nfs/dbraw/zinc/87/68/76/625876876.db2.gz OXNXWNKHELBBKT-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999574264 634634609 /nfs/dbraw/zinc/63/46/09/634634609.db2.gz MRXSLIWGUMFJEI-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996194257 633210310 /nfs/dbraw/zinc/21/03/10/633210310.db2.gz GMTDWAIUUFNROM-JYJNAYRXSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C(C)(C)C1 ZINC000974882538 633351825 /nfs/dbraw/zinc/35/18/25/633351825.db2.gz JYFSZULMIZOAPZ-KRWDZBQOSA-N 2 0 324.428 2.499 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997360250 633713265 /nfs/dbraw/zinc/71/32/65/633713265.db2.gz NBFMJYSFIVRYHN-UHFFFAOYSA-N 2 0 301.434 2.128 20 30 DEEDRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]CC#Cc2ccccc2)C1 ZINC000893489063 633876936 /nfs/dbraw/zinc/87/69/36/633876936.db2.gz XJLBVZQAPQSVRO-NRFANRHFSA-N 2 0 320.436 2.395 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977420420 633978992 /nfs/dbraw/zinc/97/89/92/633978992.db2.gz ITGQVMDVRJCOJK-MRXNPFEDSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998188294 634163094 /nfs/dbraw/zinc/16/30/94/634163094.db2.gz JDXRLRFROQKIPQ-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980083294 634844971 /nfs/dbraw/zinc/84/49/71/634844971.db2.gz IAKNKFHORXOGHA-BBWFWOEESA-N 2 0 317.477 2.018 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980138129 634857857 /nfs/dbraw/zinc/85/78/57/634857857.db2.gz AGDIFRJGRMGMBP-XIRDDKMYSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138383 634857965 /nfs/dbraw/zinc/85/79/65/634857965.db2.gz DKBLICRWCOZKOW-YESZJQIVSA-N 2 0 324.428 2.351 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980486683 635018392 /nfs/dbraw/zinc/01/83/92/635018392.db2.gz VMJMNFDYTJJGEF-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404145 635487976 /nfs/dbraw/zinc/48/79/76/635487976.db2.gz GZABJMDKRJMXEL-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001001460623 635499861 /nfs/dbraw/zinc/49/98/61/635499861.db2.gz SAAYVJDGFTZESC-UHFFFAOYSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001924130 635577898 /nfs/dbraw/zinc/57/78/98/635577898.db2.gz JKRZEDZCYKMZGE-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982083532 635855625 /nfs/dbraw/zinc/85/56/25/635855625.db2.gz OTJPUNFXNNHKED-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982160756 635893084 /nfs/dbraw/zinc/89/30/84/635893084.db2.gz CZGYWINTUFPUSO-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925894422 636014506 /nfs/dbraw/zinc/01/45/06/636014506.db2.gz YEVXSYIMSYFQIL-HOCLYGCPSA-N 2 0 301.438 2.266 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776069 636052128 /nfs/dbraw/zinc/05/21/28/636052128.db2.gz HJVMGZZQEOIRNP-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982618306 636312755 /nfs/dbraw/zinc/31/27/55/636312755.db2.gz VEVKCQRFBKKLCL-KDURUIRLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004458817 636459198 /nfs/dbraw/zinc/45/91/98/636459198.db2.gz QWKSIFYPNHJZAM-ZWKOTPCHSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594450 636463264 /nfs/dbraw/zinc/46/32/64/636463264.db2.gz GZOHPFMJBIBSPH-WBVHZDCISA-N 2 0 305.466 2.018 20 30 DEEDRP CN(C)C(=[NH+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000187056195 636907484 /nfs/dbraw/zinc/90/74/84/636907484.db2.gz KGZVKNWOSOPIAH-KRWDZBQOSA-N 2 0 302.466 2.376 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948717410 636907766 /nfs/dbraw/zinc/90/77/66/636907766.db2.gz SPEWAJYQMJHODQ-BZSNNMDCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029003025 636944214 /nfs/dbraw/zinc/94/42/14/636944214.db2.gz GYVOYWVMZHAWCH-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029003026 636944328 /nfs/dbraw/zinc/94/43/28/636944328.db2.gz GYVOYWVMZHAWCH-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006141538 637241879 /nfs/dbraw/zinc/24/18/79/637241879.db2.gz UWXTXKHMLMJIDR-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001006185413 637269693 /nfs/dbraw/zinc/26/96/93/637269693.db2.gz WOOFNRBTZKBGIV-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000987252273 640143225 /nfs/dbraw/zinc/14/32/25/640143225.db2.gz DSANPSOUIBMUBU-LSDHHAIUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC000987566536 640224225 /nfs/dbraw/zinc/22/42/25/640224225.db2.gz BTCPMTIYSIIPNQ-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000764467063 640641633 /nfs/dbraw/zinc/64/16/33/640641633.db2.gz ZVIXTXBRBNBCEZ-UHFFFAOYSA-N 2 0 321.490 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989451533 641011784 /nfs/dbraw/zinc/01/17/84/641011784.db2.gz TXYKTVHAHCNLJR-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759594 641945755 /nfs/dbraw/zinc/94/57/55/641945755.db2.gz DQHUJRKLTSUDTL-DFGXFYAUSA-N 2 0 305.466 2.016 20 30 DEEDRP CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000903790956 643456718 /nfs/dbraw/zinc/45/67/18/643456718.db2.gz JTKKXEACJUEZDL-KRWDZBQOSA-N 2 0 301.434 2.289 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906597162 644298391 /nfs/dbraw/zinc/29/83/91/644298391.db2.gz JLOTYKJWYCATDF-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000907403127 644532462 /nfs/dbraw/zinc/53/24/62/644532462.db2.gz DOZCWQLGVKSFAQ-SJLPKXTDSA-N 2 0 315.461 2.131 20 30 DEEDRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000818981708 647556624 /nfs/dbraw/zinc/55/66/24/647556624.db2.gz XCYGPCWATKQFRY-SFHVURJKSA-N 2 0 301.434 2.302 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000939835622 648735221 /nfs/dbraw/zinc/73/52/21/648735221.db2.gz GYFKOUSCMQOUKR-GDBMZVCRSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940991934 648983537 /nfs/dbraw/zinc/98/35/37/648983537.db2.gz UCIIWVVGKQVTGF-OAHLLOKOSA-N 2 0 319.449 2.358 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203333 649183152 /nfs/dbraw/zinc/18/31/52/649183152.db2.gz GXUCUBSYSZOGKB-RDTXWAMCSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257920 649192043 /nfs/dbraw/zinc/19/20/43/649192043.db2.gz MUWZSIDMMHHLBG-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518565 649232627 /nfs/dbraw/zinc/23/26/27/649232627.db2.gz TZNTWQCYBZWCPT-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943514984 649387042 /nfs/dbraw/zinc/38/70/42/649387042.db2.gz DRZNZZNOMFUXSI-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C#CCOCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000851933217 652286296 /nfs/dbraw/zinc/28/62/96/652286296.db2.gz OXDATOBYPQFMEF-IRXDYDNUSA-N 2 0 300.446 2.382 20 30 DEEDRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000304743073 685258655 /nfs/dbraw/zinc/25/86/55/685258655.db2.gz CWAGWWQNFHSECB-UHFFFAOYSA-N 2 0 308.426 2.162 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148808 693862993 /nfs/dbraw/zinc/86/29/93/693862993.db2.gz WNMIUPIWHXHLOX-PKOBYXMFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160003 693866537 /nfs/dbraw/zinc/86/65/37/693866537.db2.gz SJXSVLIGSYBAIM-IBGZPJMESA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187615 693874773 /nfs/dbraw/zinc/87/47/73/693874773.db2.gz WFDVFKBIDWRELY-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000303875330 685236532 /nfs/dbraw/zinc/23/65/32/685236532.db2.gz HOLTXEHFANYXTA-UHFFFAOYSA-N 2 0 312.527 2.298 20 30 DEEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])NC(C)C)CC2)cc1 ZINC000303878821 685237266 /nfs/dbraw/zinc/23/72/66/685237266.db2.gz JJCUHJDKFHQBMO-UHFFFAOYSA-N 2 0 318.465 2.220 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCCC[C@@H]1C ZINC000303907781 685239966 /nfs/dbraw/zinc/23/99/66/685239966.db2.gz XAZBVXHMJLYFRF-IRXDYDNUSA-N 3 0 323.529 2.030 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(C(C)C)n1 ZINC000303983045 685241893 /nfs/dbraw/zinc/24/18/93/685241893.db2.gz QVKPGNFENZTTEI-CQSZACIVSA-N 2 0 323.510 2.198 20 30 DEEDRP CCNC(NCC1([NH+]2CCSCC2)CCCCC1)=[NH+]CC ZINC000304048599 685244907 /nfs/dbraw/zinc/24/49/07/685244907.db2.gz KETJUWUBRRDDFP-UHFFFAOYSA-N 2 0 312.527 2.313 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000929779539 694026827 /nfs/dbraw/zinc/02/68/27/694026827.db2.gz BFCLDBUSKGWOMQ-CRAIPNDOSA-N 2 0 313.445 2.411 20 30 DEEDRP C#Cc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC000865707807 687307629 /nfs/dbraw/zinc/30/76/29/687307629.db2.gz DVLCRDFBMBVLOK-UHFFFAOYSA-N 2 0 306.413 2.427 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016329685 687593042 /nfs/dbraw/zinc/59/30/42/687593042.db2.gz MGYAAWSKWMHTKM-INIZCTEOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016652744 687674612 /nfs/dbraw/zinc/67/46/12/687674612.db2.gz WILUTYIDUQTKMD-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016654255 687675838 /nfs/dbraw/zinc/67/58/38/687675838.db2.gz FHHSEYDLCFXSOH-IAGOWNOFSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707489 687685868 /nfs/dbraw/zinc/68/58/68/687685868.db2.gz VZWIRVHJDQINER-MRXNPFEDSA-N 2 0 317.477 2.162 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016709946 687688085 /nfs/dbraw/zinc/68/80/85/687688085.db2.gz NXGGFXMAFKWCTP-QGZVFWFLSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016790865 687703995 /nfs/dbraw/zinc/70/39/95/687703995.db2.gz QOTFFFXPGKWCBP-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001017632934 687928489 /nfs/dbraw/zinc/92/84/89/687928489.db2.gz NPVJTBMISICZEB-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176366 688071256 /nfs/dbraw/zinc/07/12/56/688071256.db2.gz HVYJAHMYICZMRI-XWTMOSNGSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018302410 688105220 /nfs/dbraw/zinc/10/52/20/688105220.db2.gz OWZTXMWPRVRGDT-VQHPVUNQSA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001018928160 688256401 /nfs/dbraw/zinc/25/64/01/688256401.db2.gz NUCDBXAVDRHAED-AWEZNQCLSA-N 2 0 307.463 2.190 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018968177 688263346 /nfs/dbraw/zinc/26/33/46/688263346.db2.gz XAAVJPPEFCHBCH-LSDHHAIUSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730563 688987002 /nfs/dbraw/zinc/98/70/02/688987002.db2.gz REYNVZJBCYDROZ-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730163 688987272 /nfs/dbraw/zinc/98/72/72/688987272.db2.gz GFRABBXITPROGF-QGZVFWFLSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577089 689549358 /nfs/dbraw/zinc/54/93/58/689549358.db2.gz ZEAMEPOLQBINOA-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033835370 689632493 /nfs/dbraw/zinc/63/24/93/689632493.db2.gz OSNUPHYZWFEGGQ-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856722 689640549 /nfs/dbraw/zinc/64/05/49/689640549.db2.gz VYNAYYOAMGYKDU-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204255 689761714 /nfs/dbraw/zinc/76/17/14/689761714.db2.gz LDKQVRNCSYVIHQ-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250742 689780762 /nfs/dbraw/zinc/78/07/62/689780762.db2.gz SDVQXAKMFSRRKI-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250746 689782563 /nfs/dbraw/zinc/78/25/63/689782563.db2.gz SDVQXAKMFSRRKI-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034330971 689811422 /nfs/dbraw/zinc/81/14/22/689811422.db2.gz QQBMOKJWOVCEGS-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386874 689829989 /nfs/dbraw/zinc/82/99/89/689829989.db2.gz UXBJCWXUCJZSLL-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034394577 689833313 /nfs/dbraw/zinc/83/33/13/689833313.db2.gz PJTGJBIYELLQNX-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437523 689850671 /nfs/dbraw/zinc/85/06/71/689850671.db2.gz GXAQCTAUYKXXOG-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437049 689850821 /nfs/dbraw/zinc/85/08/21/689850821.db2.gz CZQCMXRSUMIMEP-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474993 689863753 /nfs/dbraw/zinc/86/37/53/689863753.db2.gz OMPSRAIHGWZDEG-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000876709259 689910950 /nfs/dbraw/zinc/91/09/50/689910950.db2.gz NHGIACFLTFNXJQ-CVEARBPZSA-N 2 0 323.868 2.438 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000876707465 689910970 /nfs/dbraw/zinc/91/09/70/689910970.db2.gz HFEIVJHYZRVHIM-MRXNPFEDSA-N 2 0 321.852 2.237 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000876723544 689916220 /nfs/dbraw/zinc/91/62/20/689916220.db2.gz DPRRECGCRQVRFN-HZPDHXFCSA-N 2 0 321.852 2.410 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034642761 689917127 /nfs/dbraw/zinc/91/71/27/689917127.db2.gz LAXLHUKFZOGTDN-ULQDDVLXSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000876742214 689923879 /nfs/dbraw/zinc/92/38/79/689923879.db2.gz ZVZLYJDSXWRDOK-CZUORRHYSA-N 2 0 321.852 2.019 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876773949 689933056 /nfs/dbraw/zinc/93/30/56/689933056.db2.gz ZGECCRFGUAJQGU-HZPDHXFCSA-N 2 0 321.852 2.189 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000876773765 689933041 /nfs/dbraw/zinc/93/30/41/689933041.db2.gz DXSVUJUZBDZLHQ-OAHLLOKOSA-N 2 0 313.873 2.370 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000876773776 689933326 /nfs/dbraw/zinc/93/33/26/689933326.db2.gz FDPQCPDJGIDGBV-NRXISQOPSA-N 2 0 313.873 2.370 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000877221486 690049259 /nfs/dbraw/zinc/04/92/59/690049259.db2.gz PUCNOKGUDUIUDJ-CVEARBPZSA-N 2 0 321.852 2.155 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035721198 690161030 /nfs/dbraw/zinc/16/10/30/690161030.db2.gz SCVYDVCRSAZLHB-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035726489 690162316 /nfs/dbraw/zinc/16/23/16/690162316.db2.gz ASENIVDWJOSOKY-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035743399 690165794 /nfs/dbraw/zinc/16/57/94/690165794.db2.gz JLYKOOPUZPLHEF-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035750799 690167884 /nfs/dbraw/zinc/16/78/84/690167884.db2.gz VRPFVRLTCIJFKF-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035750412 690167996 /nfs/dbraw/zinc/16/79/96/690167996.db2.gz LWIYDZDVVOCUMQ-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP COCC[N@@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C)CC1 ZINC000877665428 690183375 /nfs/dbraw/zinc/18/33/75/690183375.db2.gz VBMDDOKEFRGFKL-UHFFFAOYSA-N 2 0 307.463 2.410 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001036109847 690263654 /nfs/dbraw/zinc/26/36/54/690263654.db2.gz CRDYAVQCKVTDGI-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878746052 690490203 /nfs/dbraw/zinc/49/02/03/690490203.db2.gz QONSPSXPDHJRJD-IBGZPJMESA-N 2 0 322.412 2.199 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC ZINC001037951570 690647777 /nfs/dbraw/zinc/64/77/77/690647777.db2.gz SFLPOCQDWJSDSZ-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153632 691033990 /nfs/dbraw/zinc/03/39/90/691033990.db2.gz DHSGQBACNLNOFT-ZWKOTPCHSA-N 2 0 321.509 2.319 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173209 691038897 /nfs/dbraw/zinc/03/88/97/691038897.db2.gz QFAFLNGYAJLQOL-QZTJIDSGSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173038 691039462 /nfs/dbraw/zinc/03/94/62/691039462.db2.gz LOPGHZVZDMIQJP-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039216256 691057200 /nfs/dbraw/zinc/05/72/00/691057200.db2.gz ZATXDFKPFSPTJO-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001040745094 691284610 /nfs/dbraw/zinc/28/46/10/691284610.db2.gz HTJUFZNPNYUJET-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001040853044 691292682 /nfs/dbraw/zinc/29/26/82/691292682.db2.gz HTJUFZNPNYUJET-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040913574 691297790 /nfs/dbraw/zinc/29/77/90/691297790.db2.gz AUSSJZCDUIPXMW-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041475310 691381803 /nfs/dbraw/zinc/38/18/03/691381803.db2.gz KUHHSLJXASIKPC-GOSISDBHSA-N 2 0 310.401 2.058 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042154876 691524596 /nfs/dbraw/zinc/52/45/96/691524596.db2.gz AVWVFNBWUKCGCC-YJBOKZPZSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049370356 692858164 /nfs/dbraw/zinc/85/81/64/692858164.db2.gz UYKWBFRVRSPXIE-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062232 693096499 /nfs/dbraw/zinc/09/64/99/693096499.db2.gz KPNYCALVAFDZHZ-RCCFBDPRSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050086260 693104510 /nfs/dbraw/zinc/10/45/10/693104510.db2.gz ZYANVFQZIGKQNQ-DOTOQJQBSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050140652 693118445 /nfs/dbraw/zinc/11/84/45/693118445.db2.gz NXUMSFAMQYTCCK-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523486 693200488 /nfs/dbraw/zinc/20/04/88/693200488.db2.gz FBXHWDHTQPUCMS-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001050536318 693202532 /nfs/dbraw/zinc/20/25/32/693202532.db2.gz KLNCIZKVGAKREE-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001050579646 693209864 /nfs/dbraw/zinc/20/98/64/693209864.db2.gz DZOWNTJAOOXUHH-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000925845895 693351849 /nfs/dbraw/zinc/35/18/49/693351849.db2.gz SDZGIOHVFSOBRX-INIZCTEOSA-N 2 0 300.450 2.284 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515295 693554935 /nfs/dbraw/zinc/55/49/35/693554935.db2.gz CRGPGAFDAOLIPQ-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562044 693568411 /nfs/dbraw/zinc/56/84/11/693568411.db2.gz IFGJACWTYYNNCY-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CC(=C)C)C(C)C)CC1 ZINC001332740167 1149886773 /nfs/dbraw/zinc/88/67/73/1149886773.db2.gz CWOHHGQCNPZVCB-UHFFFAOYSA-N 2 0 319.493 2.077 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001380293089 1152782501 /nfs/dbraw/zinc/78/25/01/1152782501.db2.gz WBNDUMDTJVLZKP-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001380837097 1152863081 /nfs/dbraw/zinc/86/30/81/1152863081.db2.gz DHNHKXYVBNEYDJ-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001382084187 1153351347 /nfs/dbraw/zinc/35/13/47/1153351347.db2.gz CCDOQHKGGIGWAR-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568500991 1158399489 /nfs/dbraw/zinc/39/94/89/1158399489.db2.gz BUITUNJXKRXDBD-DLBZAZTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001398449359 1160894084 /nfs/dbraw/zinc/89/40/84/1160894084.db2.gz AMXFHMGJKUIPCY-LSDHHAIUSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001401954265 1162195456 /nfs/dbraw/zinc/19/54/56/1162195456.db2.gz SPJZLGUDLREVLK-CQSZACIVSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001405839804 1164283131 /nfs/dbraw/zinc/28/31/31/1164283131.db2.gz FMHKSQVKZMQAOI-LBPRGKRZSA-N 2 0 320.824 2.445 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001423173903 1173142400 /nfs/dbraw/zinc/14/24/00/1173142400.db2.gz RUPPNHLEMQJUQQ-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436498386 1179151367 /nfs/dbraw/zinc/15/13/67/1179151367.db2.gz JHIQFUHJVQMJIC-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001438299386 1180329054 /nfs/dbraw/zinc/32/90/54/1180329054.db2.gz JRTAKSVWQYREQX-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001438443122 1180433913 /nfs/dbraw/zinc/43/39/13/1180433913.db2.gz HMPODEDNYDMFFR-HDJSIYSDSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001444310969 1183341116 /nfs/dbraw/zinc/34/11/16/1183341116.db2.gz QOYJWGPODHVPKG-CYBMUJFWSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001444880888 1183617264 /nfs/dbraw/zinc/61/72/64/1183617264.db2.gz AJBZHYCZAJVTPI-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001446579456 1184425395 /nfs/dbraw/zinc/42/53/95/1184425395.db2.gz HFCHBDRLECLYMX-INIZCTEOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001446960654 1184592075 /nfs/dbraw/zinc/59/20/75/1184592075.db2.gz YFTHYMGUESJNLA-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)CN1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596284 1149816926 /nfs/dbraw/zinc/81/69/26/1149816926.db2.gz SXOOFMWEAYLCNH-GJZGRUSLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001072857326 790275692 /nfs/dbraw/zinc/27/56/92/790275692.db2.gz ULGAATQLWLBXEK-UHFFFAOYSA-N 2 0 310.401 2.287 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357751 782668734 /nfs/dbraw/zinc/66/87/34/782668734.db2.gz MRFJCUFZMRPXJN-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660493 782837093 /nfs/dbraw/zinc/83/70/93/782837093.db2.gz PDWPEXFDDBPNMG-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882551 783023468 /nfs/dbraw/zinc/02/34/68/783023468.db2.gz XFNIXMFPIITBTP-BRWVUGGUSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383152 783060401 /nfs/dbraw/zinc/06/04/01/783060401.db2.gz WVUVNMPSDQFJEA-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095765642 783084047 /nfs/dbraw/zinc/08/40/47/783084047.db2.gz OARILQUFEDSDRU-PVAVHDDUSA-N 2 0 310.401 2.246 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089459372 783126864 /nfs/dbraw/zinc/12/68/64/783126864.db2.gz UWRWPBJMEORMQS-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385590 776979573 /nfs/dbraw/zinc/97/95/73/776979573.db2.gz JWEQFDDTECWZJG-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506766 777176489 /nfs/dbraw/zinc/17/64/89/777176489.db2.gz DJVZXCHWCCZRTO-LPHOPBHVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599956 777961862 /nfs/dbraw/zinc/96/18/62/777961862.db2.gz MQKVADVRUPTMSB-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001073458997 790667545 /nfs/dbraw/zinc/66/75/45/790667545.db2.gz FRDLWNQVTFIGTP-UHFFFAOYSA-N 2 0 313.445 2.082 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171117418 790680710 /nfs/dbraw/zinc/68/07/10/790680710.db2.gz AKRSVLWDANQUJJ-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572371 779358557 /nfs/dbraw/zinc/35/85/57/779358557.db2.gz NTWFAPXCRBIHBB-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396991 779738438 /nfs/dbraw/zinc/73/84/38/779738438.db2.gz UUFWWJJLQCZTRG-LMMKCTJWSA-N 2 0 321.509 2.319 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000985495801 779865546 /nfs/dbraw/zinc/86/55/46/779865546.db2.gz KNYPOJQVNRUCDV-IRXDYDNUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518621 779885199 /nfs/dbraw/zinc/88/51/99/779885199.db2.gz SJDCORRFYJCTTH-UHFFFAOYSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088326643 779957706 /nfs/dbraw/zinc/95/77/06/779957706.db2.gz UKFFMYXQGKERMP-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168137008 780210829 /nfs/dbraw/zinc/21/08/29/780210829.db2.gz KYHVGCSJDCTQLX-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088617000 780624027 /nfs/dbraw/zinc/62/40/27/780624027.db2.gz UVTWBUWWVMJVGO-IKGGRYGDSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168320795 780837500 /nfs/dbraw/zinc/83/75/00/780837500.db2.gz QDXZPPDQCJXGGU-UHFFFAOYSA-N 2 0 315.461 2.424 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168335249 780851489 /nfs/dbraw/zinc/85/14/89/780851489.db2.gz DMUXUTNFNYYAML-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036590 780958167 /nfs/dbraw/zinc/95/81/67/780958167.db2.gz UMAHSULSPGUCEM-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324696 781217669 /nfs/dbraw/zinc/21/76/69/781217669.db2.gz YIAFBHLQFDFPKV-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089724512 783388432 /nfs/dbraw/zinc/38/84/32/783388432.db2.gz XVAMHUXFGWGEBN-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171195873 790938089 /nfs/dbraw/zinc/93/80/89/790938089.db2.gz VJEZYFGKQREGOU-ZTFGCOKTSA-N 2 0 313.445 2.460 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000948423653 783461510 /nfs/dbraw/zinc/46/15/10/783461510.db2.gz BOKAHLZEAPPFRY-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086250143 784522288 /nfs/dbraw/zinc/52/22/88/784522288.db2.gz DYDOWQHUMLSSPM-MAEOIBBWSA-N 2 0 319.493 2.169 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253447 784524567 /nfs/dbraw/zinc/52/45/67/784524567.db2.gz HKTMOXCGYFHPIQ-MWDXBVQZSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253449 784524832 /nfs/dbraw/zinc/52/48/32/784524832.db2.gz HKTMOXCGYFHPIQ-NXOAAHMSSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968863769 784625109 /nfs/dbraw/zinc/62/51/09/784625109.db2.gz KPKHAMNJVCEXQB-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969096674 784726193 /nfs/dbraw/zinc/72/61/93/784726193.db2.gz BOMKAUYMTWLXMF-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108771934 785529547 /nfs/dbraw/zinc/52/95/47/785529547.db2.gz IDDNYINDRYXWES-KSZLIROESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803375 785541964 /nfs/dbraw/zinc/54/19/64/785541964.db2.gz BXBVBYWLVQXZRP-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001091377161 791122158 /nfs/dbraw/zinc/12/21/58/791122158.db2.gz BXKCPUYGVGSTGI-YMAMQOFZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578734 786163471 /nfs/dbraw/zinc/16/34/71/786163471.db2.gz DMGSOPXKRMUUKZ-AOIWGVFYSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014429571 786581668 /nfs/dbraw/zinc/58/16/68/786581668.db2.gz YYJUCIHBBDPAAS-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015394845 787030830 /nfs/dbraw/zinc/03/08/30/787030830.db2.gz ZHGJNKCMSRTPTK-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114285443 787197780 /nfs/dbraw/zinc/19/77/80/787197780.db2.gz NIEPBEQPAOZONM-FVQHAEBGSA-N 2 0 319.493 2.264 20 30 DEEDRP 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 787626813 /nfs/dbraw/zinc/62/68/13/787626813.db2.gz QJYZXWGBQPKARF-NCOADZHNSA-N 2 0 305.466 2.016 20 30 DEEDRP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132365782 788042829 /nfs/dbraw/zinc/04/28/29/788042829.db2.gz PZGUEFSRNJQVPP-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132937038 788231120 /nfs/dbraw/zinc/23/11/20/788231120.db2.gz FVKZDHJTQYXTGV-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132974437 788245458 /nfs/dbraw/zinc/24/54/58/788245458.db2.gz ZJBPJCMDXJVHMQ-WBVHZDCISA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133190254 788313033 /nfs/dbraw/zinc/31/30/33/788313033.db2.gz FSBRBODQIBTABX-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345927 788375318 /nfs/dbraw/zinc/37/53/18/788375318.db2.gz IHABEUKTCLYWJQ-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729098 789051820 /nfs/dbraw/zinc/05/18/20/789051820.db2.gz FMKLYBCHILTQSM-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086734483 789353918 /nfs/dbraw/zinc/35/39/18/789353918.db2.gz JBRAOJHGGADEGX-RRFJBIMHSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098135768 789671898 /nfs/dbraw/zinc/67/18/98/789671898.db2.gz KBFUYPPHJHPNIG-ZACQAIPSSA-N 2 0 305.466 2.014 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071628173 789825956 /nfs/dbraw/zinc/82/59/56/789825956.db2.gz NWZAALUJDZITPI-GOEBONIOSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071645464 789837670 /nfs/dbraw/zinc/83/76/70/789837670.db2.gz JPZPAJPNWBSJDG-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682172 789862832 /nfs/dbraw/zinc/86/28/32/789862832.db2.gz IDCWUONHLYEZCE-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682144 789863009 /nfs/dbraw/zinc/86/30/09/789863009.db2.gz HRWFKLRMLDANOB-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957315 789987318 /nfs/dbraw/zinc/98/73/18/789987318.db2.gz GVJBTTJKESMJLL-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001072813375 790256636 /nfs/dbraw/zinc/25/66/36/790256636.db2.gz PEXDKKCGIZDWNK-QGZVFWFLSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146608705 791322425 /nfs/dbraw/zinc/32/24/25/791322425.db2.gz ATORGAMVBAONGF-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171307928 791559016 /nfs/dbraw/zinc/55/90/16/791559016.db2.gz NQPOKSKMNFUSFJ-WMZOPIPTSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827605 791803891 /nfs/dbraw/zinc/80/38/91/791803891.db2.gz HOAKIKBPMLFELE-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010904 791923072 /nfs/dbraw/zinc/92/30/72/791923072.db2.gz NRVRPJZJPXGTJM-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 791923402 /nfs/dbraw/zinc/92/34/02/791923402.db2.gz LNBVBLXMBSEOFK-LMMKCTJWSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001099027523 792044667 /nfs/dbraw/zinc/04/46/67/792044667.db2.gz MYCISGCUYGALEP-AOIWGVFYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059531 792067184 /nfs/dbraw/zinc/06/71/84/792067184.db2.gz KXTFMEPGDNHUEK-LNLFQRSKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467540 792117920 /nfs/dbraw/zinc/11/79/20/792117920.db2.gz NMTMKEPICSEOCU-NCOADZHNSA-N 2 0 305.466 2.014 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099233637 792145667 /nfs/dbraw/zinc/14/56/67/792145667.db2.gz AHBPISLTLRRVNA-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP 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 792232525 /nfs/dbraw/zinc/23/25/25/792232525.db2.gz DNNPUBAHBAUBCV-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848477 792880973 /nfs/dbraw/zinc/88/09/73/792880973.db2.gz OPSQMVOEZLKIRV-DAWZGUTISA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161637 793054268 /nfs/dbraw/zinc/05/42/68/793054268.db2.gz NMTMKEPICSEOCU-QZWWFDLISA-N 2 0 305.466 2.014 20 30 DEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001101549210 793225657 /nfs/dbraw/zinc/22/56/57/793225657.db2.gz HAOHDHBBJAUQPD-KRWDZBQOSA-N 2 0 321.509 2.060 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001101575970 793241717 /nfs/dbraw/zinc/24/17/17/793241717.db2.gz PDGOYCCLBFRWKR-KRWDZBQOSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171925139 793262928 /nfs/dbraw/zinc/26/29/28/793262928.db2.gz ZWLSGZWRFZPTLZ-KRWDZBQOSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472023 793626405 /nfs/dbraw/zinc/62/64/05/793626405.db2.gz DFZAQHLDFBRLPY-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599916 793668156 /nfs/dbraw/zinc/66/81/56/793668156.db2.gz DCOIUZBFDJROID-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP CC[N@@H+]1CC[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173356622 793695467 /nfs/dbraw/zinc/69/54/67/793695467.db2.gz GIERQHIRHOBEGL-SFHVURJKSA-N 2 0 312.461 2.229 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103150079 793958336 /nfs/dbraw/zinc/95/83/36/793958336.db2.gz WPEWAFHMMTWRDQ-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001174882807 794082979 /nfs/dbraw/zinc/08/29/79/794082979.db2.gz XNQVEIABMWPJEN-MSOLQXFVSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570796 794148426 /nfs/dbraw/zinc/14/84/26/794148426.db2.gz GKWMSGOYPPZAJU-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873898 794309579 /nfs/dbraw/zinc/30/95/79/794309579.db2.gz OGCAKMUVQYWCDP-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999864 794341478 /nfs/dbraw/zinc/34/14/78/794341478.db2.gz NGKMNBGMFIHZTH-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112350107 794610256 /nfs/dbraw/zinc/61/02/56/794610256.db2.gz HQMNBXJHPAKWHZ-SCTDSRPQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115014109 794652646 /nfs/dbraw/zinc/65/26/46/794652646.db2.gz ZLZGMOJUZAWKEJ-IMBTUZDBSA-N 2 0 319.493 2.119 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](C)C ZINC001177415531 794665879 /nfs/dbraw/zinc/66/58/79/794665879.db2.gz BEBOYDGLQDTKQZ-SFHVURJKSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115715733 794893093 /nfs/dbraw/zinc/89/30/93/794893093.db2.gz TZRFLMPYNUJTHL-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115777436 794916795 /nfs/dbraw/zinc/91/67/95/794916795.db2.gz ZWGXFNDPXMDUHT-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178634490 794961356 /nfs/dbraw/zinc/96/13/56/794961356.db2.gz WXBDUQCUDSHIBE-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178816082 795012921 /nfs/dbraw/zinc/01/29/21/795012921.db2.gz TVPBUBYEJZYJPD-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178938753 795034902 /nfs/dbraw/zinc/03/49/02/795034902.db2.gz MBEWUXAMTCNXEH-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179079745 795060470 /nfs/dbraw/zinc/06/04/70/795060470.db2.gz SJSBHQBFNGXOHD-YOEHRIQHSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179233765 795081291 /nfs/dbraw/zinc/08/12/91/795081291.db2.gz BOGPJINMDOEITP-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179585231 795146012 /nfs/dbraw/zinc/14/60/12/795146012.db2.gz DNPSWUJAUNTMFH-CQSZACIVSA-N 2 0 315.889 2.347 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCCC1 ZINC001120208240 795422107 /nfs/dbraw/zinc/42/21/07/795422107.db2.gz WWCDINJADAIZRS-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440642 795461341 /nfs/dbraw/zinc/46/13/41/795461341.db2.gz QHSZUOBGJHISEJ-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP 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 795661441 /nfs/dbraw/zinc/66/14/41/795661441.db2.gz NSRPJFMOSSJLIF-VUHPKUFZSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121768077 795684423 /nfs/dbraw/zinc/68/44/23/795684423.db2.gz YOLHOXQQWPIAMD-FIXVGMIGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623754 795714871 /nfs/dbraw/zinc/71/48/71/795714871.db2.gz VNQJGBIAALSROU-VQIMIIECSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001182599285 795718517 /nfs/dbraw/zinc/71/85/17/795718517.db2.gz UHOCXQGBZYZKCX-JFIYKMOQSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267813 795842820 /nfs/dbraw/zinc/84/28/20/795842820.db2.gz NTPPRMHEOLUZQG-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184654768 796100920 /nfs/dbraw/zinc/10/09/20/796100920.db2.gz WOQBOWFPGJEKMO-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184736790 796118202 /nfs/dbraw/zinc/11/82/02/796118202.db2.gz WYULBFUFFOKAFR-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C#CCOc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001138346424 796200961 /nfs/dbraw/zinc/20/09/61/796200961.db2.gz DEITVVIHZXBLFR-IBGZPJMESA-N 2 0 314.429 2.235 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185261704 796224862 /nfs/dbraw/zinc/22/48/62/796224862.db2.gz XKTHPHOHGBAEAS-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185447297 796270206 /nfs/dbraw/zinc/27/02/06/796270206.db2.gz RGOMWCIGDLFZCS-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185518051 796276468 /nfs/dbraw/zinc/27/64/68/796276468.db2.gz VXPLHEYJAGKYAX-CABCVRRESA-N 2 0 316.449 2.021 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185762141 796311807 /nfs/dbraw/zinc/31/18/07/796311807.db2.gz MRQCAMZHKVDQQE-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203629846 796332366 /nfs/dbraw/zinc/33/23/66/796332366.db2.gz CQRXHVKROBGEOS-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082305 796354000 /nfs/dbraw/zinc/35/40/00/796354000.db2.gz JMJAVFDAISXSTB-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034249 796481521 /nfs/dbraw/zinc/48/15/21/796481521.db2.gz BHSFELSPUKOUDG-IAGOWNOFSA-N 2 0 301.434 2.056 20 30 DEEDRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC(S)CC2)CC1 ZINC001140970958 796610457 /nfs/dbraw/zinc/61/04/57/796610457.db2.gz AYQWQZNUZPZQTF-UHFFFAOYSA-N 2 0 305.491 2.333 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979183 796757795 /nfs/dbraw/zinc/75/77/95/796757795.db2.gz KJQGKOMRGURZLR-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189318180 796807585 /nfs/dbraw/zinc/80/75/85/796807585.db2.gz YJRSAEUJLCWLSF-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389237 796816424 /nfs/dbraw/zinc/81/64/24/796816424.db2.gz IWYUDRCEBVSOAA-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190246997 796967640 /nfs/dbraw/zinc/96/76/40/796967640.db2.gz JOSMXWXSFHDEIE-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190891156 797103434 /nfs/dbraw/zinc/10/34/34/797103434.db2.gz YPXQCOPJDJIXOJ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061172 797130289 /nfs/dbraw/zinc/13/02/89/797130289.db2.gz ISRSMJVOLSBOSZ-KRWDZBQOSA-N 2 0 319.493 2.195 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061176 797130659 /nfs/dbraw/zinc/13/06/59/797130659.db2.gz ISRSMJVOLSBOSZ-QGZVFWFLSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916920 797470390 /nfs/dbraw/zinc/47/03/90/797470390.db2.gz GTSGWJHLASMGHP-SJORKVTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917217 797471160 /nfs/dbraw/zinc/47/11/60/797471160.db2.gz LBBKTFNPDSDIBW-SJORKVTESA-N 2 0 309.498 2.462 20 30 DEEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001193389333 797557478 /nfs/dbraw/zinc/55/74/78/797557478.db2.gz BCZBEXKYLPHBSV-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273907 797696431 /nfs/dbraw/zinc/69/64/31/797696431.db2.gz BSZQTQBPECGPTQ-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865607 797977392 /nfs/dbraw/zinc/97/73/92/797977392.db2.gz MVIMOYAUEYDRHT-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195866034 797977559 /nfs/dbraw/zinc/97/75/59/797977559.db2.gz SLIWKMGREXOBBC-WMZOPIPTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242940 798031532 /nfs/dbraw/zinc/03/15/32/798031532.db2.gz QPNBKDLYENLAQY-INIZCTEOSA-N 2 0 304.438 2.191 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953679 798130843 /nfs/dbraw/zinc/13/08/43/798130843.db2.gz VBKYAGBWHOZSJI-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197126187 798151141 /nfs/dbraw/zinc/15/11/41/798151141.db2.gz XNNSVWZCDRRNAX-HNNXBMFYSA-N 2 0 316.449 2.330 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198244121 798303115 /nfs/dbraw/zinc/30/31/15/798303115.db2.gz RGKSMLZHXYVHLG-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364018 798322419 /nfs/dbraw/zinc/32/24/19/798322419.db2.gz KECPOYQTUUOKEF-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907854 798623686 /nfs/dbraw/zinc/62/36/86/798623686.db2.gz DPVOSEBOTAZKCG-KRWDZBQOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120846 798649721 /nfs/dbraw/zinc/64/97/21/798649721.db2.gz SGTFVAYRLPYTPA-SFHVURJKSA-N 2 0 317.477 2.021 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126020 798650611 /nfs/dbraw/zinc/65/06/11/798650611.db2.gz RLLSQZGGMZXOKZ-UHFFFAOYSA-N 2 0 317.477 2.023 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577743 798652186 /nfs/dbraw/zinc/65/21/86/798652186.db2.gz FSVSSFFNZLYLDI-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200605984 798661555 /nfs/dbraw/zinc/66/15/55/798661555.db2.gz FSVOUXYVCYPKQN-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP N#Cc1c2c(cnc1-n1ccc3cccc(C[NH3+])c31)C[NH2+]CCC2 ZINC001160453452 798690434 /nfs/dbraw/zinc/69/04/34/798690434.db2.gz MRPWUZYWXDBFSR-UHFFFAOYSA-N 2 0 317.396 2.392 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160478853 798694188 /nfs/dbraw/zinc/69/41/88/798694188.db2.gz BJUDBMJWBYQWBJ-QGZVFWFLSA-N 2 0 307.482 2.431 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201053747 798711340 /nfs/dbraw/zinc/71/13/40/798711340.db2.gz WGPWPIPUVQFYRN-WMLDXEAASA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201268018 798732535 /nfs/dbraw/zinc/73/25/35/798732535.db2.gz VDMOPSPMPHUNGT-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161027970 798782400 /nfs/dbraw/zinc/78/24/00/798782400.db2.gz CGKYGGVEAKZQAC-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP COc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1C#N ZINC001201666124 798787495 /nfs/dbraw/zinc/78/74/95/798787495.db2.gz KRTZSTQHNUWYSA-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001202170760 798835945 /nfs/dbraw/zinc/83/59/45/798835945.db2.gz HOIIXDKPRICWOS-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161650495 798902323 /nfs/dbraw/zinc/90/23/23/798902323.db2.gz FYPQTLBVFKQRPX-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP N#Cc1nc(NCCC[NH2+]CCCC[NH3+])c(Cl)cc1Cl ZINC001162294641 799052297 /nfs/dbraw/zinc/05/22/97/799052297.db2.gz PZEDCYYBFWARDW-UHFFFAOYSA-N 2 0 316.236 2.391 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001114465863 799130478 /nfs/dbraw/zinc/13/04/78/799130478.db2.gz KVWVIPXRIFTMFY-XWTMOSNGSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472998 799735721 /nfs/dbraw/zinc/73/57/21/799735721.db2.gz VUYLPKLFEJMDJJ-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001165895353 799789028 /nfs/dbraw/zinc/78/90/28/799789028.db2.gz YKZNNPHRYGODMW-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203887909 800141170 /nfs/dbraw/zinc/14/11/70/800141170.db2.gz FMUWIYYBCFHWFL-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C[C@H](Cc1cccnc1)[NH2+]CC#CC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934230693 800297174 /nfs/dbraw/zinc/29/71/74/800297174.db2.gz WJNNACLSBYGQAL-HDICACEKSA-N 2 0 322.456 2.221 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464983 800359563 /nfs/dbraw/zinc/35/95/63/800359563.db2.gz YYKJIGMMUDVXQT-GOSISDBHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469374 800361268 /nfs/dbraw/zinc/36/12/68/800361268.db2.gz AYXQONFFAWPLDH-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490355 800363187 /nfs/dbraw/zinc/36/31/87/800363187.db2.gz BFCCEOPWMOOXML-HNNXBMFYSA-N 2 0 315.889 2.153 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590955 800381929 /nfs/dbraw/zinc/38/19/29/800381929.db2.gz YYIBVUANTIBHLQ-UHFFFAOYSA-N 2 0 324.428 2.108 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001206621746 800567017 /nfs/dbraw/zinc/56/70/17/800567017.db2.gz FUEOEXJPOJUAME-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206934583 800633644 /nfs/dbraw/zinc/63/36/44/800633644.db2.gz SYYZZGDKCQUFGO-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947903 800638584 /nfs/dbraw/zinc/63/85/84/800638584.db2.gz NZSDIXXSKKMHAS-IYBDPMFKSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2(C)CCOCC2)CC1 ZINC001208078195 800908004 /nfs/dbraw/zinc/90/80/04/800908004.db2.gz KOLVMIKFEWMKAD-UHFFFAOYSA-N 2 0 321.509 2.095 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453573 800986820 /nfs/dbraw/zinc/98/68/20/800986820.db2.gz JYSZPMKYTZRXDW-CYBMUJFWSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485652 800994071 /nfs/dbraw/zinc/99/40/71/800994071.db2.gz PAWYCNUHWVKCOR-HLLBOEOZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001229186657 801238763 /nfs/dbraw/zinc/23/87/63/801238763.db2.gz XMIFWLLCZJXZMM-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001230344559 801390583 /nfs/dbraw/zinc/39/05/83/801390583.db2.gz AHWZEHXJCPCFPE-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP 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 801856004 /nfs/dbraw/zinc/85/60/04/801856004.db2.gz MMIICZSIUOWVDW-LTIDMASMSA-N 2 0 307.482 2.119 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000402166674 801867584 /nfs/dbraw/zinc/86/75/84/801867584.db2.gz RZGQJHDZRCZLSV-LJQANCHMSA-N 2 0 309.413 2.443 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844872 802032404 /nfs/dbraw/zinc/03/24/04/802032404.db2.gz MOQDKJZMEQBITE-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP N#Cc1oc2ccccc2c1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218629055 802217353 /nfs/dbraw/zinc/21/73/53/802217353.db2.gz TZUOZPBMQHWDKI-CYBMUJFWSA-N 2 0 324.384 2.117 20 30 DEEDRP N#Cc1oc2ccccc2c1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218629056 802217662 /nfs/dbraw/zinc/21/76/62/802217662.db2.gz TZUOZPBMQHWDKI-ZDUSSCGKSA-N 2 0 324.384 2.117 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234265710 802337984 /nfs/dbraw/zinc/33/79/84/802337984.db2.gz KYYUBBWSWZHPPQ-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505655 802796380 /nfs/dbraw/zinc/79/63/80/802796380.db2.gz LWDKXPUROUCQIE-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557231 802980944 /nfs/dbraw/zinc/98/09/44/802980944.db2.gz GUCLNBUQEPZDHU-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226295881 803084434 /nfs/dbraw/zinc/08/44/34/803084434.db2.gz AEUMEWLUWBFXQI-RCCFBDPRSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226783131 803158811 /nfs/dbraw/zinc/15/88/11/803158811.db2.gz UHDLLQMZGBIZMS-ZIAGYGMSSA-N 2 0 313.873 2.240 20 30 DEEDRP CC(C)OCCO[NH+]=Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001343614111 1150757635 /nfs/dbraw/zinc/75/76/35/1150757635.db2.gz FEBYSHKVFIPZLP-UHFFFAOYSA-N 2 0 323.412 2.353 20 30 DEEDRP CC#CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001574973567 1069317590 /nfs/dbraw/zinc/31/75/90/1069317590.db2.gz WXIVZJHRPQCFHK-MRXNPFEDSA-N 2 0 305.466 2.032 20 30 DEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500162769 1058536906 /nfs/dbraw/zinc/53/69/06/1058536906.db2.gz RDPHZAGTNXVQCT-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001501051379 1059235843 /nfs/dbraw/zinc/23/58/43/1059235843.db2.gz VNWZVURIZOYTGB-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001502406725 1060117755 /nfs/dbraw/zinc/11/77/55/1060117755.db2.gz QZWJRKAVAYKAOT-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001502795280 1060302243 /nfs/dbraw/zinc/30/22/43/1060302243.db2.gz GQAXZVHDINCNFK-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505436639 1060595505 /nfs/dbraw/zinc/59/55/05/1060595505.db2.gz BBLVZQDLWXXQOQ-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001506864747 1062449776 /nfs/dbraw/zinc/44/97/76/1062449776.db2.gz FWUMSSSUAAHXRL-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001480211623 1062468130 /nfs/dbraw/zinc/46/81/30/1062468130.db2.gz UDSYBXHFNQNUNC-YYIAUSFCSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480255141 1062536358 /nfs/dbraw/zinc/53/63/58/1062536358.db2.gz QGTVEOFPDCPNRW-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480267769 1062570938 /nfs/dbraw/zinc/57/09/38/1062570938.db2.gz REBKMJDCYQZLBZ-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480267771 1062571159 /nfs/dbraw/zinc/57/11/59/1062571159.db2.gz REBKMJDCYQZLBZ-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507298845 1063055549 /nfs/dbraw/zinc/05/55/49/1063055549.db2.gz RJRTXJVCBZUCLI-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001507417099 1063257456 /nfs/dbraw/zinc/25/74/56/1063257456.db2.gz SGDGTCGHGZHGFD-RDJZCZTQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001508156104 1063580154 /nfs/dbraw/zinc/58/01/54/1063580154.db2.gz UNTPCNZZWMANKT-UHFFFAOYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494329002 1064214100 /nfs/dbraw/zinc/21/41/00/1064214100.db2.gz WOCHWKGUDDECOU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001567571220 1064258580 /nfs/dbraw/zinc/25/85/80/1064258580.db2.gz PPCJGBNIFFJLRV-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C#CC[N@@H+](C)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001567752785 1064403978 /nfs/dbraw/zinc/40/39/78/1064403978.db2.gz SLDZWYUCMQSOOQ-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001494776153 1064460150 /nfs/dbraw/zinc/46/01/50/1064460150.db2.gz GOZXNTQIJNXVFG-QGZVFWFLSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001568057991 1064623341 /nfs/dbraw/zinc/62/33/41/1064623341.db2.gz ZKXOIFWRJDUTCS-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001568110171 1064651470 /nfs/dbraw/zinc/65/14/70/1064651470.db2.gz PAXRSMSOZHHANR-WKILWMFISA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001495319557 1064828598 /nfs/dbraw/zinc/82/85/98/1064828598.db2.gz HJCYCANFALJWPQ-BBRMVZONSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001569544478 1065581696 /nfs/dbraw/zinc/58/16/96/1065581696.db2.gz VFDQMUPTEHBHCD-AWEZNQCLSA-N 2 0 307.463 2.190 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001569695199 1065677300 /nfs/dbraw/zinc/67/73/00/1065677300.db2.gz HVTNNVGWIWJBCF-LJQANCHMSA-N 2 0 319.493 2.104 20 30 DEEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569723316 1065690954 /nfs/dbraw/zinc/69/09/54/1065690954.db2.gz UOYPDNKCDUBVHY-HKUYNNGSSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001569802693 1065725561 /nfs/dbraw/zinc/72/55/61/1065725561.db2.gz YWSCEQMESOGBIP-SJLPKXTDSA-N 2 0 315.461 2.134 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001496906106 1065794537 /nfs/dbraw/zinc/79/45/37/1065794537.db2.gz BJTMKJDIAYZLDF-MSOLQXFVSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001570005674 1065877649 /nfs/dbraw/zinc/87/76/49/1065877649.db2.gz MJSAIPSICNNBBW-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001570054949 1065905185 /nfs/dbraw/zinc/90/51/85/1065905185.db2.gz KEWRAHHHIIQSFE-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001570461378 1066083507 /nfs/dbraw/zinc/08/35/07/1066083507.db2.gz YHUALXDBIDTHBO-HNNXBMFYSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001634661428 1078435013 /nfs/dbraw/zinc/43/50/13/1078435013.db2.gz RKRPMHFCNVHPPZ-GOSISDBHSA-N 2 0 315.461 2.131 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001498904460 1066950262 /nfs/dbraw/zinc/95/02/62/1066950262.db2.gz UPQBCNDVFLTUIP-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]cn2)[C@H](C)C1 ZINC001499835051 1067354123 /nfs/dbraw/zinc/35/41/23/1067354123.db2.gz LOINPVQEVAFUIQ-HUUCEWRRSA-N 2 0 304.438 2.278 20 30 DEEDRP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001483406009 1078513277 /nfs/dbraw/zinc/51/32/77/1078513277.db2.gz PAGODQKUHZTIMX-SJLPKXTDSA-N 2 0 315.461 2.139 20 30 DEEDRP N#Cc1ccc(CN2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066597 1067488096 /nfs/dbraw/zinc/48/80/96/1067488096.db2.gz OJNNJDAWXYNOGZ-NVXWUHKLSA-N 2 0 314.389 2.417 20 30 DEEDRP N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001580078343 1067491525 /nfs/dbraw/zinc/49/15/25/1067491525.db2.gz VJPCAGFEAAPDDZ-GUTXKFCHSA-N 2 0 300.362 2.026 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001483446921 1078538720 /nfs/dbraw/zinc/53/87/20/1078538720.db2.gz DSKOCIWXPLLKEK-QZTJIDSGSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001483446920 1078539184 /nfs/dbraw/zinc/53/91/84/1078539184.db2.gz DSKOCIWXPLLKEK-MSOLQXFVSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267169300 1078634243 /nfs/dbraw/zinc/63/42/43/1078634243.db2.gz MWOWUPOMXAKAAL-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267174066 1078638333 /nfs/dbraw/zinc/63/83/33/1078638333.db2.gz VRUVRFJUNRTDPF-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001571280471 1068208494 /nfs/dbraw/zinc/20/84/94/1068208494.db2.gz JWXSBTPLOOGUPU-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001571568824 1068425056 /nfs/dbraw/zinc/42/50/56/1068425056.db2.gz RDPFZVTZKHDXHP-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267317795 1078760519 /nfs/dbraw/zinc/76/05/19/1078760519.db2.gz ANQGTEWMLLYOEN-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#Cc1cccc(NC(=O)C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001574767232 1069260381 /nfs/dbraw/zinc/26/03/81/1069260381.db2.gz ZKPDTYIJGHJXPF-ZNXRZULTSA-N 2 0 311.429 2.069 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001267602823 1079145630 /nfs/dbraw/zinc/14/56/30/1079145630.db2.gz HUPSBFOGLVTLFP-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001483936122 1079195994 /nfs/dbraw/zinc/19/59/94/1079195994.db2.gz BXGIQDYOVWVIEL-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483946071 1079202337 /nfs/dbraw/zinc/20/23/37/1079202337.db2.gz MDFTZVDELRUILW-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483975521 1079221722 /nfs/dbraw/zinc/22/17/22/1079221722.db2.gz LVHLPRZGZGRHRP-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001565852560 1075197397 /nfs/dbraw/zinc/19/73/97/1075197397.db2.gz PITNEZDHNCZPQJ-XMTFNYHQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001565974827 1075211908 /nfs/dbraw/zinc/21/19/08/1075211908.db2.gz XNMNBVOOQLUAAP-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001566623006 1075299243 /nfs/dbraw/zinc/29/92/43/1075299243.db2.gz FMQLYIZYLOEFHK-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001566715549 1075324655 /nfs/dbraw/zinc/32/46/55/1075324655.db2.gz ZECGGSOLGXURSI-KRWDZBQOSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566804368 1075349569 /nfs/dbraw/zinc/34/95/69/1075349569.db2.gz ZJZUWTSZBDUQSO-ZQIUZPCESA-N 2 0 311.445 2.012 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001566940360 1075394457 /nfs/dbraw/zinc/39/44/57/1075394457.db2.gz FWEWKBYXFSETNU-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484394083 1079588691 /nfs/dbraw/zinc/58/86/91/1079588691.db2.gz KNMQDBVFJJTZSW-BRSBDYLESA-N 2 0 321.509 2.415 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001481340286 1079734641 /nfs/dbraw/zinc/73/46/41/1079734641.db2.gz PQYTZVVCLBUDQY-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484876658 1079833290 /nfs/dbraw/zinc/83/32/90/1079833290.db2.gz OTRJLYFXMPTPQO-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@@H]1C ZINC001484982736 1079895699 /nfs/dbraw/zinc/89/56/99/1079895699.db2.gz TVNZQWLLKAJMHF-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001485434133 1080204941 /nfs/dbraw/zinc/20/49/41/1080204941.db2.gz JXXHHDKOCUOBAO-ZWKOTPCHSA-N 2 0 321.509 2.203 20 30 DEEDRP C#CC[NH2+][C@H](CCN(C)C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001485440341 1080208302 /nfs/dbraw/zinc/20/83/02/1080208302.db2.gz QCNVFRUWIXTCHO-GOSISDBHSA-N 2 0 321.509 2.203 20 30 DEEDRP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001485458771 1080227575 /nfs/dbraw/zinc/22/75/75/1080227575.db2.gz PDRXZHQHHALIRM-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C[NH+](C)CCCN(CC#Cc1ccccc1)CCC[NH+](C)C ZINC001659141478 1080232210 /nfs/dbraw/zinc/23/22/10/1080232210.db2.gz ABFBABNDBRHKSB-UHFFFAOYSA-N 2 0 301.478 2.244 20 30 DEEDRP C[N@H+](CCOCc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC001659346998 1080237990 /nfs/dbraw/zinc/23/79/90/1080237990.db2.gz OCAKXJRRLOHJHW-UHFFFAOYSA-N 2 0 301.434 2.348 20 30 DEEDRP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001660277376 1080299826 /nfs/dbraw/zinc/29/98/26/1080299826.db2.gz GASIUMYGJZGZCQ-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485582532 1080314110 /nfs/dbraw/zinc/31/41/10/1080314110.db2.gz QNTDTCUXWVCKNG-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268334230 1080334438 /nfs/dbraw/zinc/33/44/38/1080334438.db2.gz WVDNTJQDOCVWGA-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP 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 1080350109 /nfs/dbraw/zinc/35/01/09/1080350109.db2.gz VGSUCCZDRJIQAE-BBWFWOEESA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001485723659 1080391833 /nfs/dbraw/zinc/39/18/33/1080391833.db2.gz GTVJFBKXQTUUAL-WMZOPIPTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001661127450 1080444915 /nfs/dbraw/zinc/44/49/15/1080444915.db2.gz NSFBTZLJMWYFID-AEFFLSMTSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661235801 1080460337 /nfs/dbraw/zinc/46/03/37/1080460337.db2.gz PCTCFPALHMBUAH-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107033246 1080545653 /nfs/dbraw/zinc/54/56/53/1080545653.db2.gz LFFQWPMQZHICON-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001481880852 1080571611 /nfs/dbraw/zinc/57/16/11/1080571611.db2.gz HXAKIUAMUFVUOI-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001663749611 1080812320 /nfs/dbraw/zinc/81/23/20/1080812320.db2.gz PUUIXYCCIIWCKN-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001663777552 1080815571 /nfs/dbraw/zinc/81/55/71/1080815571.db2.gz OQPXXMVESDSGMD-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001664442680 1080910573 /nfs/dbraw/zinc/91/05/73/1080910573.db2.gz NUQNWCUABBLHHQ-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001664467191 1080913360 /nfs/dbraw/zinc/91/33/60/1080913360.db2.gz GPCAOFBIQICRHB-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001665304996 1081011957 /nfs/dbraw/zinc/01/19/57/1081011957.db2.gz CTWIJHXJVHDMOQ-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268978914 1081073217 /nfs/dbraw/zinc/07/32/17/1081073217.db2.gz OVDMXGVJWMGBMN-BZSNNMDCSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001666172934 1081130652 /nfs/dbraw/zinc/13/06/52/1081130652.db2.gz ONNIUZRALUSDFY-SFHVURJKSA-N 2 0 319.493 2.104 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001666374641 1081148906 /nfs/dbraw/zinc/14/89/06/1081148906.db2.gz HIAMTPQOHJLGAC-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001666568947 1081162892 /nfs/dbraw/zinc/16/28/92/1081162892.db2.gz XLJRDKHDVPSFPY-MRXNPFEDSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001666800541 1081181951 /nfs/dbraw/zinc/18/19/51/1081181951.db2.gz SVKNTCONHZMEAX-MRXNPFEDSA-N 2 0 319.493 2.456 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CCCC1 ZINC001666808657 1081182838 /nfs/dbraw/zinc/18/28/38/1081182838.db2.gz OAUUBIZHHMYMLT-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001667279089 1081232598 /nfs/dbraw/zinc/23/25/98/1081232598.db2.gz KWEHMTFSCYFUJY-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001269416298 1081244932 /nfs/dbraw/zinc/24/49/32/1081244932.db2.gz ROYQCXTWRKRQGP-OAHLLOKOSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001269558111 1081290394 /nfs/dbraw/zinc/29/03/94/1081290394.db2.gz WOUPMFNMWKWWHD-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001269574933 1081295197 /nfs/dbraw/zinc/29/51/97/1081295197.db2.gz GTINRUOTTWHWCA-HMQMGEFJSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001269597854 1081302620 /nfs/dbraw/zinc/30/26/20/1081302620.db2.gz PQFBCGHCVJCKLU-KSZLIROESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001269693823 1081337183 /nfs/dbraw/zinc/33/71/83/1081337183.db2.gz ZUPHYUXQZYUUPR-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001269991638 1081420326 /nfs/dbraw/zinc/42/03/26/1081420326.db2.gz QPBNFNBLEZYPEJ-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001669968213 1081484859 /nfs/dbraw/zinc/48/48/59/1081484859.db2.gz VUQPKMGEEHDICS-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672538028 1081610330 /nfs/dbraw/zinc/61/03/30/1081610330.db2.gz MMCKEDWMMSUOIC-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001270743136 1081620533 /nfs/dbraw/zinc/62/05/33/1081620533.db2.gz IXHVGQXUZYPDMU-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001672880465 1081716712 /nfs/dbraw/zinc/71/67/12/1081716712.db2.gz VGOSLHIAAMEOBL-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001673016333 1081731837 /nfs/dbraw/zinc/73/18/37/1081731837.db2.gz HBSYBGYKHBWBKT-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001673129115 1081740971 /nfs/dbraw/zinc/74/09/71/1081740971.db2.gz IKPYNYMIGZHEOR-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482383997 1081784301 /nfs/dbraw/zinc/78/43/01/1081784301.db2.gz HJYNCIYUIFYCIZ-INIZCTEOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001673994014 1081822455 /nfs/dbraw/zinc/82/24/55/1081822455.db2.gz PVDSIIPMAVPJQJ-UHFFFAOYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001482469958 1081944137 /nfs/dbraw/zinc/94/41/37/1081944137.db2.gz FRYYZCVMTIMLNB-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001271270022 1082003687 /nfs/dbraw/zinc/00/36/87/1082003687.db2.gz QACNOQAEBCJLNL-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266465924 1082054529 /nfs/dbraw/zinc/05/45/29/1082054529.db2.gz FSJCTLGKWILQMR-QGZVFWFLSA-N 2 0 321.509 2.158 20 30 DEEDRP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001482506531 1082128351 /nfs/dbraw/zinc/12/83/51/1082128351.db2.gz CDJOPOOMVAMQSA-GOSISDBHSA-N 2 0 321.509 2.301 20 30 DEEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266562756 1082161143 /nfs/dbraw/zinc/16/11/43/1082161143.db2.gz MVOVEMIEDAKESN-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001271907185 1082188812 /nfs/dbraw/zinc/18/88/12/1082188812.db2.gz CBJLGUMJQOLMIW-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C(C)C ZINC001271923388 1082194914 /nfs/dbraw/zinc/19/49/14/1082194914.db2.gz UTRKMHUHTGCBAS-QZTJIDSGSA-N 2 0 315.461 2.043 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001271953417 1082206247 /nfs/dbraw/zinc/20/62/47/1082206247.db2.gz DYZOVUBEHGXAPA-ROUUACIJSA-N 2 0 317.477 2.256 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001266662251 1082258119 /nfs/dbraw/zinc/25/81/19/1082258119.db2.gz DEKUVTIYBDAFSK-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001272053795 1082341142 /nfs/dbraw/zinc/34/11/42/1082341142.db2.gz OTWCVMSSHMTVAP-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266819984 1082369690 /nfs/dbraw/zinc/36/96/90/1082369690.db2.gz HEKUSQZBGNAJDT-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]21 ZINC001482669281 1082451883 /nfs/dbraw/zinc/45/18/83/1082451883.db2.gz YYAKGPDIIVCKKG-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482681578 1082475636 /nfs/dbraw/zinc/47/56/36/1082475636.db2.gz JWTHMDTXFQTTOB-NVXWUHKLSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482864266 1082535198 /nfs/dbraw/zinc/53/51/98/1082535198.db2.gz HZAJIOZKYULMAC-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]21 ZINC001496862287 1083053700 /nfs/dbraw/zinc/05/37/00/1083053700.db2.gz IWPVJWOHCWAXQI-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530868 1083464131 /nfs/dbraw/zinc/46/41/31/1083464131.db2.gz QCARHLVBLQHWLH-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614014 1083519754 /nfs/dbraw/zinc/51/97/54/1083519754.db2.gz KXOXXDSATXCEKD-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107629389 1083538058 /nfs/dbraw/zinc/53/80/58/1083538058.db2.gz CXJDWKQJKCWPTI-ZHALLVOQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCCCC[NH+]1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277151375 1083810134 /nfs/dbraw/zinc/81/01/34/1083810134.db2.gz JFZPGFUKPQENRT-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001670974354 1084178681 /nfs/dbraw/zinc/17/86/81/1084178681.db2.gz RTVLXDNEYIOJDS-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001491302830 1084223115 /nfs/dbraw/zinc/22/31/15/1084223115.db2.gz ZDWDOZKUOQVPHL-GDBMZVCRSA-N 2 0 318.465 2.444 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001491505051 1084354702 /nfs/dbraw/zinc/35/47/02/1084354702.db2.gz UDFLVJPJHCNRCK-ZDUSSCGKSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235321379 1084385205 /nfs/dbraw/zinc/38/52/05/1084385205.db2.gz UTWJVNDNMCTRQJ-CVEARBPZSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCN1CCC2(CC[NH+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272871000 1084399144 /nfs/dbraw/zinc/39/91/44/1084399144.db2.gz UAWHJDNFKMNNCJ-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741729 1084854460 /nfs/dbraw/zinc/85/44/60/1084854460.db2.gz KHORQUBAHURJST-DLBZAZTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001486129615 1085079621 /nfs/dbraw/zinc/07/96/21/1085079621.db2.gz NKVBHEJKDVOUJL-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486246931 1085163696 /nfs/dbraw/zinc/16/36/96/1085163696.db2.gz VHLSUIQRPINGOG-JKSUJKDBSA-N 2 0 309.498 2.365 20 30 DEEDRP CC#CC[NH+]1CCC(C2(NC(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001486490302 1085369493 /nfs/dbraw/zinc/36/94/93/1085369493.db2.gz KUCRSFFRNWNJBG-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000965037408 1085505149 /nfs/dbraw/zinc/50/51/49/1085505149.db2.gz WXZMXFODTPVGLX-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000965061230 1085511181 /nfs/dbraw/zinc/51/11/81/1085511181.db2.gz AUTADTYDEZGPHQ-XOGYLQAWSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000965348780 1085595781 /nfs/dbraw/zinc/59/57/81/1085595781.db2.gz WUHBKYZSIYYWNN-KZIPQDEESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000965842645 1085655851 /nfs/dbraw/zinc/65/58/51/1085655851.db2.gz UNJJSFNEYZEOLS-OIJFSCQUSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961286524 1085671837 /nfs/dbraw/zinc/67/18/37/1085671837.db2.gz RTJBIXRNIYIYAJ-ROUUACIJSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001272994009 1085836190 /nfs/dbraw/zinc/83/61/90/1085836190.db2.gz UVDUDPUOIWSZDG-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001273025257 1086007349 /nfs/dbraw/zinc/00/73/49/1086007349.db2.gz MIHKCJVJWJEUDQ-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCN1CCC2(CC[NH+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273101454 1086180648 /nfs/dbraw/zinc/18/06/48/1086180648.db2.gz VTONTEWSEAJYCI-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000963385861 1086438570 /nfs/dbraw/zinc/43/85/70/1086438570.db2.gz NPSGYKPLQDVGKU-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH+](CC)CC1 ZINC001273143322 1086670644 /nfs/dbraw/zinc/67/06/44/1086670644.db2.gz FEALJMZKHRMYKT-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001493609497 1087016788 /nfs/dbraw/zinc/01/67/88/1087016788.db2.gz NUSWXYOCYZFFMZ-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080456122 1088969853 /nfs/dbraw/zinc/96/98/53/1088969853.db2.gz OUHAXRQUOBXFSE-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114624132 1089402602 /nfs/dbraw/zinc/40/26/02/1089402602.db2.gz LUXVQLWULBOWRZ-DZFIZOCASA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962345 1090547365 /nfs/dbraw/zinc/54/73/65/1090547365.db2.gz IDQBYVBWVQIBCQ-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001274344982 1091196053 /nfs/dbraw/zinc/19/60/53/1091196053.db2.gz KKPNFCCSGYDEMI-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274430118 1091238796 /nfs/dbraw/zinc/23/87/96/1091238796.db2.gz KJVTVTZTMZVXGR-DJAVDHGHSA-N 2 0 305.466 2.232 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001273419533 1091324408 /nfs/dbraw/zinc/32/44/08/1091324408.db2.gz WOGVISATFWDONA-HOTGVXAUSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001274959505 1091493624 /nfs/dbraw/zinc/49/36/24/1091493624.db2.gz YJVPHMQLLCGVIL-BZSNNMDCSA-N 2 0 317.477 2.112 20 30 DEEDRP C=CCCCC[NH+]1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001274974260 1091496727 /nfs/dbraw/zinc/49/67/27/1091496727.db2.gz FRSRYZATBVNRRT-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCCC[NH+]1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274974788 1091497172 /nfs/dbraw/zinc/49/71/72/1091497172.db2.gz RFPAATRKJKKDHO-CALCHBBNSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001275185237 1091605353 /nfs/dbraw/zinc/60/53/53/1091605353.db2.gz WKGANIQRUGFMJA-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC001093164137 1091795442 /nfs/dbraw/zinc/79/54/42/1091795442.db2.gz ROYVMJZQLWUOST-LMMKCTJWSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475817 1091869094 /nfs/dbraw/zinc/86/90/94/1091869094.db2.gz UAZPDXXMNADLQO-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001273476338 1091869789 /nfs/dbraw/zinc/86/97/89/1091869789.db2.gz KVSDRARQSKMQDM-UHFFFAOYSA-N 2 0 320.824 2.447 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742435 1091910404 /nfs/dbraw/zinc/91/04/04/1091910404.db2.gz JMZWACFVQGDAGU-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001273802304 1092062066 /nfs/dbraw/zinc/06/20/66/1092062066.db2.gz UONNRKWBEDHUGG-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001275804611 1092159921 /nfs/dbraw/zinc/15/99/21/1092159921.db2.gz GHMBVSBOIBNTLL-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001489239639 1093001432 /nfs/dbraw/zinc/00/14/32/1093001432.db2.gz GXBSNZMLRQECKI-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490455363 1093391957 /nfs/dbraw/zinc/39/19/57/1093391957.db2.gz YJVKQIDNHCYUDH-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001490599571 1093438426 /nfs/dbraw/zinc/43/84/26/1093438426.db2.gz RHQVYGRXJOYRCV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001253227942 1093699807 /nfs/dbraw/zinc/69/98/07/1093699807.db2.gz OBJOSKZMKGZTTK-GOSISDBHSA-N 2 0 311.514 2.101 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691738528 1138257946 /nfs/dbraw/zinc/25/79/46/1138257946.db2.gz KMLNDYZEZIQNKH-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001277997151 1138393741 /nfs/dbraw/zinc/39/37/41/1138393741.db2.gz ISCBXUJPSKMHRJ-IRXDYDNUSA-N 2 0 309.498 2.489 20 30 DEEDRP CC[N@H+]1C[C@H]2CN(Cc3cn(C)c4ccc(C#N)cc34)C[C@H]2C1 ZINC001237472968 1138648147 /nfs/dbraw/zinc/64/81/47/1138648147.db2.gz XLYXTHDUYJVUQQ-IYBDPMFKSA-N 2 0 308.429 2.433 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001278259187 1138862497 /nfs/dbraw/zinc/86/24/97/1138862497.db2.gz LUQVIRMTHKMTPP-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001319020511 1140492016 /nfs/dbraw/zinc/49/20/16/1140492016.db2.gz FHMXLCBBBGGAFS-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246002075 1140844672 /nfs/dbraw/zinc/84/46/72/1140844672.db2.gz TXOYARQPVORKTB-ZWKOTPCHSA-N 2 0 322.424 2.020 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246002074 1140845056 /nfs/dbraw/zinc/84/50/56/1140845056.db2.gz TXOYARQPVORKTB-ROUUACIJSA-N 2 0 322.424 2.020 20 30 DEEDRP Cc1ccc2c(c1)C1(C[C@H]2[NH2+][C@H]2CCN[C@H](C#N)C2)CC[NH2+]CC1 ZINC001246123820 1140863764 /nfs/dbraw/zinc/86/37/64/1140863764.db2.gz FNUNAAOEZLWKSQ-TXPKVOOTSA-N 2 0 324.472 2.295 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278438815 1140878263 /nfs/dbraw/zinc/87/82/63/1140878263.db2.gz XRAXVTPZBYTNII-RDJZCZTQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC001246550202 1140955851 /nfs/dbraw/zinc/95/58/51/1140955851.db2.gz MGRMNWHIRBEMGG-NUJGCVRESA-N 2 0 321.465 2.237 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246724001 1141045377 /nfs/dbraw/zinc/04/53/77/1141045377.db2.gz SVQGRYIISBQRIB-YZYRWKSTSA-N 2 0 320.477 2.343 20 30 DEEDRP C=CCOC[C@H]1CCC[C@@]12CN([C@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246772278 1141054971 /nfs/dbraw/zinc/05/49/71/1141054971.db2.gz ZYIANWFSNXNCFU-XWTMOSNGSA-N 2 0 308.466 2.201 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001322193908 1141447485 /nfs/dbraw/zinc/44/74/85/1141447485.db2.gz OFFGWQQNKDBDPX-OAHLLOKOSA-N 2 0 307.482 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001322843623 1141739238 /nfs/dbraw/zinc/73/92/38/1141739238.db2.gz DRBNVLISQUONJE-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCOC[C@@H]1CCC[C@@]12CN(C1CC[NH+](C)CC1)CCO2 ZINC001256208051 1143836393 /nfs/dbraw/zinc/83/63/93/1143836393.db2.gz VKSJGTCWHIPSKM-FUHWJXTLSA-N 2 0 308.466 2.154 20 30 DEEDRP C[NH+]1CCC(C#N)(NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601798 1143856715 /nfs/dbraw/zinc/85/67/15/1143856715.db2.gz GXEMOWOXIAKYPZ-UHFFFAOYSA-N 2 0 312.461 2.229 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC001262360234 1144309129 /nfs/dbraw/zinc/30/91/29/1144309129.db2.gz ZZMBFDFFMDIGOQ-MRXNPFEDSA-N 2 0 322.497 2.010 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263170022 1144359426 /nfs/dbraw/zinc/35/94/26/1144359426.db2.gz FPMLOXZPCWWMLV-ROUUACIJSA-N 2 0 315.461 2.308 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001263880669 1144419414 /nfs/dbraw/zinc/41/94/14/1144419414.db2.gz WSAKIPOONIOKEO-BZSNNMDCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001264682128 1144592038 /nfs/dbraw/zinc/59/20/38/1144592038.db2.gz QNWUVMIFKGNHTM-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001265390807 1144701381 /nfs/dbraw/zinc/70/13/81/1144701381.db2.gz OBBONSHDBHECMF-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001265526384 1144709152 /nfs/dbraw/zinc/70/91/52/1144709152.db2.gz ZNQZZEIGRCYCGS-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001265658253 1144723578 /nfs/dbraw/zinc/72/35/78/1144723578.db2.gz VDSQAPGMMJWDKG-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001265982161 1144776457 /nfs/dbraw/zinc/77/64/57/1144776457.db2.gz CTTRHVXPQGNUNM-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266062720 1144801734 /nfs/dbraw/zinc/80/17/34/1144801734.db2.gz CBMNVPFEJPUGBH-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266156224 1144810365 /nfs/dbraw/zinc/81/03/65/1144810365.db2.gz WZKJCEGURHUOEI-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001279242724 1144819697 /nfs/dbraw/zinc/81/96/97/1144819697.db2.gz WIARNYRGWLHTJP-AQFXKWCLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001279636081 1144826373 /nfs/dbraw/zinc/82/63/73/1144826373.db2.gz HJIGVERFXQJFAB-UHFFFAOYSA-N 2 0 307.482 2.289 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001280129330 1144832461 /nfs/dbraw/zinc/83/24/61/1144832461.db2.gz VSXIXUUGPFIYFU-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281568732 1144897883 /nfs/dbraw/zinc/89/78/83/1144897883.db2.gz XTZZHRJQEHPCFB-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001281725939 1144910565 /nfs/dbraw/zinc/91/05/65/1144910565.db2.gz SKGLKULXMZPVNA-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281951050 1144922776 /nfs/dbraw/zinc/92/27/76/1144922776.db2.gz DETASDXIMHKFQI-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001283101136 1145266431 /nfs/dbraw/zinc/26/64/31/1145266431.db2.gz DKLMUPRFWOTUMA-YYIAUSFCSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001283666284 1145571527 /nfs/dbraw/zinc/57/15/27/1145571527.db2.gz QFUSCIRFBUGPOC-WMZOPIPTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284030709 1145759797 /nfs/dbraw/zinc/75/97/97/1145759797.db2.gz HPMCKHKHTFYSPI-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H]1C ZINC001284130209 1145804520 /nfs/dbraw/zinc/80/45/20/1145804520.db2.gz GUCRGMQPMLTMDS-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316642384 1146374557 /nfs/dbraw/zinc/37/45/57/1146374557.db2.gz RPXJIQKRVDPDRL-ULQDDVLXSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001491933849 1147006509 /nfs/dbraw/zinc/00/65/09/1147006509.db2.gz RYHSPLKVFRWVBP-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001492170495 1147113603 /nfs/dbraw/zinc/11/36/03/1147113603.db2.gz FTVQVHJUEZLYJK-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480732032 1147168194 /nfs/dbraw/zinc/16/81/94/1147168194.db2.gz ZUXQHFJFIQEZOT-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316680195 1147300496 /nfs/dbraw/zinc/30/04/96/1147300496.db2.gz PTDXXNFXQNODTJ-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001316690038 1147319372 /nfs/dbraw/zinc/31/93/72/1147319372.db2.gz ZMHAUWOBDHOBOH-DZGCQCFKSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316999309 1147646798 /nfs/dbraw/zinc/64/67/98/1147646798.db2.gz WFBQKFDMWMRUHI-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501854 1147716552 /nfs/dbraw/zinc/71/65/52/1147716552.db2.gz MHCVNLCDBNWMFZ-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001317869422 1147759475 /nfs/dbraw/zinc/75/94/75/1147759475.db2.gz CAHUZDMRXBDKHX-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001325418788 1147905308 /nfs/dbraw/zinc/90/53/08/1147905308.db2.gz SCYNBNWVJQWHQU-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001326275789 1148068481 /nfs/dbraw/zinc/06/84/81/1148068481.db2.gz SMEHDCSQTPZQLC-AWEZNQCLSA-N 2 0 321.490 2.438 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001326419827 1148097076 /nfs/dbraw/zinc/09/70/76/1148097076.db2.gz SEYBXRVBOHSWHX-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001368099016 1148223537 /nfs/dbraw/zinc/22/35/37/1148223537.db2.gz JLWMBIIYWZPOPG-LSDHHAIUSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001368194444 1148318025 /nfs/dbraw/zinc/31/80/25/1148318025.db2.gz HUQUDYGQEOOLGI-INIZCTEOSA-N 2 0 315.889 2.299 20 30 DEEDRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339089339 530071817 /nfs/dbraw/zinc/07/18/17/530071817.db2.gz RSAIEODOAODKEW-IRXDYDNUSA-N 2 0 304.482 2.028 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173953109 198272247 /nfs/dbraw/zinc/27/22/47/198272247.db2.gz NYIYJZXMCUZZFF-IRXDYDNUSA-N 2 0 307.482 2.382 20 30 DEEDRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000277033658 213252054 /nfs/dbraw/zinc/25/20/54/213252054.db2.gz BGRYZCHGGKBUAR-MRXNPFEDSA-N 2 0 314.433 2.303 20 30 DEEDRP N#CC[C@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620390 358504212 /nfs/dbraw/zinc/50/42/12/358504212.db2.gz NBECQWXKIXTPJG-HDICACEKSA-N 2 0 318.465 2.254 20 30 DEEDRP N#C[C@@H]1CC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442632716 238055733 /nfs/dbraw/zinc/05/57/33/238055733.db2.gz AGSULYLIUTZGKL-MOPGFXCFSA-N 2 0 312.461 2.086 20 30 DEEDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000249402922 402628854 /nfs/dbraw/zinc/62/88/54/402628854.db2.gz VOBSICUXFPAQJU-APWZRJJASA-N 2 0 312.461 2.331 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247873257 402577540 /nfs/dbraw/zinc/57/75/40/402577540.db2.gz XZQBENAMJQMORU-OWCLPIDISA-N 2 0 307.482 2.404 20 30 DEEDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271937691 402885730 /nfs/dbraw/zinc/88/57/30/402885730.db2.gz KNKLIHYKAOWQMM-OAHLLOKOSA-N 2 0 318.440 2.376 20 30 DEEDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CN1CC[NH+](C)CC1 ZINC000271952622 402887449 /nfs/dbraw/zinc/88/74/49/402887449.db2.gz OVXNMWLVNWXACM-GJZGRUSLSA-N 2 0 318.440 2.231 20 30 DEEDRP N#CCc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000342765209 403341532 /nfs/dbraw/zinc/34/15/32/403341532.db2.gz MQLZSGJJKAABEC-UHFFFAOYSA-N 2 0 313.445 2.297 20 30 DEEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC3(C#N)CC3)CC2)CC1 ZINC000343317688 403537105 /nfs/dbraw/zinc/53/71/05/403537105.db2.gz FEODLQVVVACGGK-UHFFFAOYSA-N 2 0 318.509 2.418 20 30 DEEDRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000332348535 403557293 /nfs/dbraw/zinc/55/72/93/403557293.db2.gz ALRPQALHRJNFEZ-MOPGFXCFSA-N 2 0 313.445 2.334 20 30 DEEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000361804671 403874794 /nfs/dbraw/zinc/87/47/94/403874794.db2.gz SZYPGUBMXPQPOA-KRWDZBQOSA-N 2 0 302.466 2.378 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363661084 404215292 /nfs/dbraw/zinc/21/52/92/404215292.db2.gz PFVBHTREBMNGRG-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000329529771 404366277 /nfs/dbraw/zinc/36/62/77/404366277.db2.gz VHXUSEOUGPGSMI-ZDUSSCGKSA-N 2 0 322.497 2.450 20 30 DEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000374175782 404700232 /nfs/dbraw/zinc/70/02/32/404700232.db2.gz RMZACXWQSRMIRO-SFHVURJKSA-N 2 0 313.445 2.399 20 30 DEEDRP CN(C)C(=[NH+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000366821881 404852615 /nfs/dbraw/zinc/85/26/15/404852615.db2.gz PXLTXGHJDSBDGQ-SFHVURJKSA-N 2 0 302.466 2.378 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000424178848 405031458 /nfs/dbraw/zinc/03/14/58/405031458.db2.gz XOJYNBTUAHZVMG-QGZVFWFLSA-N 2 0 320.481 2.122 20 30 DEEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000361226919 404982343 /nfs/dbraw/zinc/98/23/43/404982343.db2.gz DFQCPNHLSDAQFU-IEBWSBKVSA-N 2 0 323.525 2.363 20 30 DEEDRP CC[NH2+]CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000516173554 406087587 /nfs/dbraw/zinc/08/75/87/406087587.db2.gz BBINZIJLVRPWDK-UHFFFAOYSA-N 2 0 300.450 2.112 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000567824651 406144828 /nfs/dbraw/zinc/14/48/28/406144828.db2.gz PEGYYWYJAGSKHD-UHFFFAOYSA-N 2 0 314.433 2.030 20 30 DEEDRP N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000571624053 406544406 /nfs/dbraw/zinc/54/44/06/406544406.db2.gz HUQJAXXXKZYOSX-YJBOKZPZSA-N 2 0 313.445 2.425 20 30 DEEDRP [NH2+]=C(NCc1ccccn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262333738 225269426 /nfs/dbraw/zinc/26/94/26/225269426.db2.gz RWZKYBKLHNTFCK-UHFFFAOYSA-N 2 0 323.444 2.151 20 30 DEEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@]1([NH+](C)C)CCSC1 ZINC000262427387 225272439 /nfs/dbraw/zinc/27/24/39/225272439.db2.gz DAIZKXJQDIKTTN-QGZVFWFLSA-N 2 0 320.506 2.131 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCC[NH2+]1 ZINC000662792630 425736777 /nfs/dbraw/zinc/73/67/77/425736777.db2.gz GRQHGOHBUKJGOV-RYRKJORJSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662682516 425712685 /nfs/dbraw/zinc/71/26/85/425712685.db2.gz INNLBQAWEXXBEA-WMZOPIPTSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662744624 425726920 /nfs/dbraw/zinc/72/69/20/425726920.db2.gz ANUDQDPZFFSIAN-WMZOPIPTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000417059164 277848540 /nfs/dbraw/zinc/84/85/40/277848540.db2.gz HLXVGOXVROZKBO-FUHWJXTLSA-N 2 0 322.497 2.065 20 30 DEEDRP CC#CCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000362299351 333046713 /nfs/dbraw/zinc/04/67/13/333046713.db2.gz HDUYRKGILQDCNB-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001378609251 1152393331 /nfs/dbraw/zinc/39/33/31/1152393331.db2.gz FNFDEKASSQNMTH-CYBMUJFWSA-N 2 0 323.868 2.456 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001330022884 1149035804 /nfs/dbraw/zinc/03/58/04/1149035804.db2.gz VJLOZDRSKZGYRC-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)cc1OC ZINC000272375155 533990010 /nfs/dbraw/zinc/99/00/10/533990010.db2.gz HWXLYJONOUHPEQ-UHFFFAOYSA-N 2 0 320.437 2.162 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000170912014 534074835 /nfs/dbraw/zinc/07/48/35/534074835.db2.gz RJPJTDKRJLSUJT-OAHLLOKOSA-N 2 0 318.465 2.220 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001378927396 1152493185 /nfs/dbraw/zinc/49/31/85/1152493185.db2.gz QGACTYKBTZJQHC-HIFRSBDPSA-N 2 0 315.889 2.296 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262194137 526371627 /nfs/dbraw/zinc/37/16/27/526371627.db2.gz GLCQWGPDZQLFPE-LUKYLMHMSA-N 2 0 306.498 2.462 20 30 DEEDRP C[NH+]=C(NCc1cnc(C)s1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262425608 526389101 /nfs/dbraw/zinc/38/91/01/526389101.db2.gz CJMNNANLUVZERW-CQSZACIVSA-N 2 0 321.494 2.087 20 30 DEEDRP C[NH+]=C(NCc1sccc1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261996000 526393372 /nfs/dbraw/zinc/39/33/72/526393372.db2.gz SLAHEKBOPRNRLR-KGLIPLIRSA-N 2 0 308.495 2.450 20 30 DEEDRP CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1F ZINC000267458872 528413228 /nfs/dbraw/zinc/41/32/28/528413228.db2.gz UITJKJPLCAFJPI-CQSZACIVSA-N 2 0 322.428 2.113 20 30 DEEDRP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[C@@](C)(CC)C1 ZINC000261842872 528803290 /nfs/dbraw/zinc/80/32/90/528803290.db2.gz WWDKKAGJBOOKCZ-QGZVFWFLSA-N 2 0 324.513 2.185 20 30 DEEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc21 ZINC000263107157 528814871 /nfs/dbraw/zinc/81/48/71/528814871.db2.gz DAXZMQVVJOTBHL-OAHLLOKOSA-N 2 0 312.461 2.499 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCC1(F)F ZINC000263025722 529074145 /nfs/dbraw/zinc/07/41/45/529074145.db2.gz AORJJXLOLYARNL-CHWSQXEVSA-N 2 0 302.413 2.201 20 30 DEEDRP CCO[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000194581319 529112242 /nfs/dbraw/zinc/11/22/42/529112242.db2.gz AEJNCCZMWSKMGO-IRXDYDNUSA-N 2 0 318.465 2.153 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346146114 535741394 /nfs/dbraw/zinc/74/13/94/535741394.db2.gz VPRAZFUELLMUFZ-HUUCEWRRSA-N 2 0 318.440 2.374 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001327879231 1148666441 /nfs/dbraw/zinc/66/64/41/1148666441.db2.gz FCLQTNPNWJKMTF-DYVFJYSZSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001368825537 1148692770 /nfs/dbraw/zinc/69/27/70/1148692770.db2.gz NNSDMMBYOZMKFY-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023465896 625281245 /nfs/dbraw/zinc/28/12/45/625281245.db2.gz ZAOWGCURVRMSAU-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025267607 625314501 /nfs/dbraw/zinc/31/45/01/625314501.db2.gz QQGQMWSHJFCQEC-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554204 625323597 /nfs/dbraw/zinc/32/35/97/625323597.db2.gz HLNWYEQWMGXFRF-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310302 625403677 /nfs/dbraw/zinc/40/36/77/625403677.db2.gz OYXZLGWWMPOUMB-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484802 625476569 /nfs/dbraw/zinc/47/65/69/625476569.db2.gz JNYUMRDGSFHKLW-HUUCEWRRSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144898 622589650 /nfs/dbraw/zinc/58/96/50/622589650.db2.gz WCDZEKWQYSPZBX-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000970223208 623345767 /nfs/dbraw/zinc/34/57/67/623345767.db2.gz KNQKKFFTSZNVCR-OAHLLOKOSA-N 2 0 324.428 2.499 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000970223207 623345983 /nfs/dbraw/zinc/34/59/83/623345983.db2.gz KNQKKFFTSZNVCR-HNNXBMFYSA-N 2 0 324.428 2.499 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970785613 623681256 /nfs/dbraw/zinc/68/12/56/623681256.db2.gz FJWDDKQFBGNGFW-MRXNPFEDSA-N 2 0 321.852 2.305 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970804073 623692640 /nfs/dbraw/zinc/69/26/40/623692640.db2.gz OYEHNRFYPXJKGG-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970930301 623798373 /nfs/dbraw/zinc/79/83/73/623798373.db2.gz YEUUUBUHCZSKMM-HNNXBMFYSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021604156 623818069 /nfs/dbraw/zinc/81/80/69/623818069.db2.gz BGIIBEKBEZRWEG-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202427 624497563 /nfs/dbraw/zinc/49/75/63/624497563.db2.gz YYDITESHPIULKT-UXLLHSPISA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978793936 634419531 /nfs/dbraw/zinc/41/95/31/634419531.db2.gz DBLPGDSTRWLMSM-FJIDUMEYSA-N 2 0 319.493 2.119 20 30 DEEDRP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000328877371 625141141 /nfs/dbraw/zinc/14/11/41/625141141.db2.gz IMUSQUBLCBIRPZ-KRWDZBQOSA-N 2 0 323.481 2.054 20 30 DEEDRP 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 625151342 /nfs/dbraw/zinc/15/13/42/625151342.db2.gz SCLAPGMCFISDJK-NNPSNHGLSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998902795 634442291 /nfs/dbraw/zinc/44/22/91/634442291.db2.gz YHWIMXCJMWVFSF-CGZBRXJRSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001026297583 625272969 /nfs/dbraw/zinc/27/29/69/625272969.db2.gz FTCAUFRMPCQNPJ-BMGDILEWSA-N 2 0 324.428 2.269 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007498364 625274254 /nfs/dbraw/zinc/27/42/54/625274254.db2.gz KGDFKOJMBNBKSF-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615268 625863113 /nfs/dbraw/zinc/86/31/13/625863113.db2.gz HBSWICWKWCJMDU-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024614575 625933399 /nfs/dbraw/zinc/93/33/99/625933399.db2.gz JDNCHCLHXXLZBI-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999710815 634667993 /nfs/dbraw/zinc/66/79/93/634667993.db2.gz YCPGENSYOKJJCP-CQSZACIVSA-N 2 0 318.808 2.281 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729387 633269858 /nfs/dbraw/zinc/26/98/58/633269858.db2.gz LUWUGWBBGOMCSJ-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974762507 633296470 /nfs/dbraw/zinc/29/64/70/633296470.db2.gz ZTVRPSMOKBKNRO-CVEARBPZSA-N 2 0 307.482 2.119 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921527199 633613147 /nfs/dbraw/zinc/61/31/47/633613147.db2.gz MSMGUIGGVINSSW-UHFFFAOYSA-N 2 0 314.477 2.292 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997613535 633900053 /nfs/dbraw/zinc/90/00/53/633900053.db2.gz JVICNZDOFFRHHE-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027930365 634997132 /nfs/dbraw/zinc/99/71/32/634997132.db2.gz OIGNPCJWFOXLNW-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027981370 635154619 /nfs/dbraw/zinc/15/46/19/635154619.db2.gz ABCSIPGLRPAZTH-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001000694423 635268785 /nfs/dbraw/zinc/26/87/85/635268785.db2.gz AUFUOOGDDQZXQW-ZWKOTPCHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981153413 635334669 /nfs/dbraw/zinc/33/46/69/635334669.db2.gz ZRYVJMVLFMCRIY-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000981283570 635421043 /nfs/dbraw/zinc/42/10/43/635421043.db2.gz XVADCYHEKWYBBC-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404622 635487737 /nfs/dbraw/zinc/48/77/37/635487737.db2.gz JKPPVJRFSMBVHG-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028253777 635963987 /nfs/dbraw/zinc/96/39/87/635963987.db2.gz GQELXILDLQMQRW-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP CC[NH+](CC)CC[C@H](CO)NCc1c(C)cc(C#N)cc1C ZINC000922220875 636009816 /nfs/dbraw/zinc/00/98/16/636009816.db2.gz DCYBYESXPDMRLE-QGZVFWFLSA-N 2 0 303.450 2.358 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586693 636269861 /nfs/dbraw/zinc/26/98/61/636269861.db2.gz SKWCFEAZHHRNOA-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594843 636470772 /nfs/dbraw/zinc/47/07/72/636470772.db2.gz NGEGEUXHGXQAHI-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982831707 636496040 /nfs/dbraw/zinc/49/60/40/636496040.db2.gz QAHDJPAZDRUADY-QRQLOZEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731180 636686059 /nfs/dbraw/zinc/68/60/59/636686059.db2.gz ZNVYYYWKUZJBFO-WBVHZDCISA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755565 636705211 /nfs/dbraw/zinc/70/52/11/636705211.db2.gz QEMPNLKYLZDESZ-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005491236 636750038 /nfs/dbraw/zinc/75/00/38/636750038.db2.gz FOHYDGJNJBDJQI-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001005999423 637064446 /nfs/dbraw/zinc/06/44/46/637064446.db2.gz XPQVGDMYSYOMMV-NVXWUHKLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006117230 637215305 /nfs/dbraw/zinc/21/53/05/637215305.db2.gz UYIISXHYUZHAHM-IAGOWNOFSA-N 2 0 305.466 2.112 20 30 DEEDRP COCCO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000748790016 638592053 /nfs/dbraw/zinc/59/20/53/638592053.db2.gz XLMORFUPTUAYGE-UHFFFAOYSA-N 2 0 305.422 2.214 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000985656385 639567428 /nfs/dbraw/zinc/56/74/28/639567428.db2.gz XHJCLZJCGCSBEV-ZDUSSCGKSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000987330816 640168492 /nfs/dbraw/zinc/16/84/92/640168492.db2.gz VSUBHPMOLCZGPB-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC000763044703 640495209 /nfs/dbraw/zinc/49/52/09/640495209.db2.gz QFWIBRZGRGZJJG-INIZCTEOSA-N 2 0 307.482 2.286 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989190643 640748323 /nfs/dbraw/zinc/74/83/23/640748323.db2.gz WTSYCVUJQCRVJC-OCCSQVGLSA-N 2 0 318.808 2.279 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989521092 641136186 /nfs/dbraw/zinc/13/61/86/641136186.db2.gz CNNFHTCJGHRTDE-UKRRQHHQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767720 641985330 /nfs/dbraw/zinc/98/53/30/641985330.db2.gz YOKTUTODHXFHPN-DODZYUBVSA-N 2 0 319.493 2.406 20 30 DEEDRP C#C[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCO1 ZINC000775574169 642061837 /nfs/dbraw/zinc/06/18/37/642061837.db2.gz NZKKSCGAEHYNNL-AYOQOUSVSA-N 2 0 316.445 2.458 20 30 DEEDRP N#CC1(CCCC[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC000903759996 643451936 /nfs/dbraw/zinc/45/19/36/643451936.db2.gz DNCDAXJINUEABW-MRXNPFEDSA-N 2 0 316.453 2.238 20 30 DEEDRP C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903827508 643474017 /nfs/dbraw/zinc/47/40/17/643474017.db2.gz UWZUOLONVCWLSA-AWEZNQCLSA-N 2 0 305.447 2.210 20 30 DEEDRP C[NH+]1CCN(c2ccc(C=[NH+]NC[C@@H]3CCSC3)cc2)CC1 ZINC000811658672 646556088 /nfs/dbraw/zinc/55/60/88/646556088.db2.gz MXYAGPBAVULNAH-INIZCTEOSA-N 2 0 318.490 2.115 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992145245 646871865 /nfs/dbraw/zinc/87/18/65/646871865.db2.gz PRRIQBWLCPGVQU-AEFFLSMTSA-N 2 0 305.466 2.018 20 30 DEEDRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000819230819 647613196 /nfs/dbraw/zinc/61/31/96/647613196.db2.gz LUMUURCQYPEREC-CRAIPNDOSA-N 2 0 301.434 2.446 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000819333011 647637628 /nfs/dbraw/zinc/63/76/28/647637628.db2.gz DXOXLBNNQXQYPX-SFHVURJKSA-N 2 0 301.434 2.447 20 30 DEEDRP CC#CCN1CCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C ZINC000993479652 647675634 /nfs/dbraw/zinc/67/56/34/647675634.db2.gz AXUUWKGEWMAORT-DZGCQCFKSA-N 2 0 310.401 2.169 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993681362 647724578 /nfs/dbraw/zinc/72/45/78/647724578.db2.gz GVCLJJRJYOFWAM-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736141 648934814 /nfs/dbraw/zinc/93/48/14/648934814.db2.gz AGUHQUWOGXOREE-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940790032 648941807 /nfs/dbraw/zinc/94/18/07/648941807.db2.gz SFIYNBKMIYGYNP-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C(C)(C)C1 ZINC000940813654 648950598 /nfs/dbraw/zinc/95/05/98/648950598.db2.gz YXMOYPKGKKZVIF-FMKPAKJESA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026838 648988446 /nfs/dbraw/zinc/98/84/46/648988446.db2.gz OPJFPMUAHBLCSB-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517947 649231375 /nfs/dbraw/zinc/23/13/75/649231375.db2.gz JMAUFTUPSNAWNV-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028577 649600274 /nfs/dbraw/zinc/60/02/74/649600274.db2.gz JTYLEOXMSVDVAT-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945092270 649611354 /nfs/dbraw/zinc/61/13/54/649611354.db2.gz QCZOEXONTYFAGN-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000854413198 652696010 /nfs/dbraw/zinc/69/60/10/652696010.db2.gz OLBMKCHYWIALRR-UHFFFAOYSA-N 2 0 324.428 2.001 20 30 DEEDRP C[C@H](CCNC(=[NH2+])N1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000304478378 685255516 /nfs/dbraw/zinc/25/55/16/685255516.db2.gz HOLQHTVEPWJADY-OAHLLOKOSA-N 2 0 320.506 2.261 20 30 DEEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304749665 685259250 /nfs/dbraw/zinc/25/92/50/685259250.db2.gz HWVANNVWBDLOTP-OAHLLOKOSA-N 2 0 320.481 2.447 20 30 DEEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304757657 685259983 /nfs/dbraw/zinc/25/99/83/685259983.db2.gz PBHMBAHOCQXRSE-KRWDZBQOSA-N 2 0 324.513 2.362 20 30 DEEDRP C[NH+](C)CCOc1cccc(CNC(=[NH2+])N2CCCCCC2)c1 ZINC000305065094 685269331 /nfs/dbraw/zinc/26/93/31/685269331.db2.gz MPBDYUWFZHMKIK-UHFFFAOYSA-N 2 0 318.465 2.318 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C)C1CCCCC1 ZINC000104168569 684058524 /nfs/dbraw/zinc/05/85/24/684058524.db2.gz PBGLETPRGSQFPM-QGZVFWFLSA-N 3 0 323.529 2.030 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCCC[C@H]1C ZINC000303907779 685239602 /nfs/dbraw/zinc/23/96/02/685239602.db2.gz XAZBVXHMJLYFRF-IAGOWNOFSA-N 3 0 323.529 2.030 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001054724367 694032319 /nfs/dbraw/zinc/03/23/19/694032319.db2.gz UGUFWKOZCTWEMM-UKRRQHHQSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001375515505 1158796308 /nfs/dbraw/zinc/79/63/08/1158796308.db2.gz KYNOTFMQCPOOJV-ZQDZILKHSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001054826546 694054967 /nfs/dbraw/zinc/05/49/67/694054967.db2.gz MEIBTNKLUBVINJ-DYVFJYSZSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016651657 687675060 /nfs/dbraw/zinc/67/50/60/687675060.db2.gz JRRLNSQDVDUKSP-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016706907 687686367 /nfs/dbraw/zinc/68/63/67/687686367.db2.gz NYLBMMFZPLZBSS-MRXNPFEDSA-N 2 0 317.477 2.162 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860958 687720507 /nfs/dbraw/zinc/72/05/07/687720507.db2.gz LHKDQHMREYLXFX-IAGOWNOFSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016987651 687750668 /nfs/dbraw/zinc/75/06/68/687750668.db2.gz YFESGQZNOQDYSQ-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659675 687934119 /nfs/dbraw/zinc/93/41/19/687934119.db2.gz YBNKTVREVXUHKW-ZJPYXAASSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001019820444 688413410 /nfs/dbraw/zinc/41/34/10/688413410.db2.gz KODICWUDINVNJQ-HNNXBMFYSA-N 2 0 321.852 2.305 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001023725418 688518915 /nfs/dbraw/zinc/51/89/15/688518915.db2.gz MYJBSNSPPWFQDK-HKUYNNGSSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028088833 688533047 /nfs/dbraw/zinc/53/30/47/688533047.db2.gz QPWKOBZKWUDONJ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031799638 688999703 /nfs/dbraw/zinc/99/97/03/688999703.db2.gz BSDCLLJCXLWSEK-UHFFFAOYSA-N 2 0 312.417 2.271 20 30 DEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873291176 689203856 /nfs/dbraw/zinc/20/38/56/689203856.db2.gz DQVHFKCMKGMCLL-FUHWJXTLSA-N 2 0 311.429 2.294 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466011 689510975 /nfs/dbraw/zinc/51/09/75/689510975.db2.gz BNUVRYXPRKKONL-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504132 689524319 /nfs/dbraw/zinc/52/43/19/689524319.db2.gz DGVSKOPMSHFRIV-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204254 689761215 /nfs/dbraw/zinc/76/12/15/689761215.db2.gz LDKQVRNCSYVIHQ-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204700 689762034 /nfs/dbraw/zinc/76/20/34/689762034.db2.gz PGFAGKGBDDVCGF-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034538514 689890427 /nfs/dbraw/zinc/89/04/27/689890427.db2.gz NZMCNYVMJVUGMW-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000876723742 689916124 /nfs/dbraw/zinc/91/61/24/689916124.db2.gz GNBGQKNMTQUSIL-MRXNPFEDSA-N 2 0 321.852 2.021 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000876723816 689916205 /nfs/dbraw/zinc/91/62/05/689916205.db2.gz XVRZEMCPDUDVSE-UONOGXRCSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000876723849 689916395 /nfs/dbraw/zinc/91/63/95/689916395.db2.gz YJXRVSZMBGPVTK-UONOGXRCSA-N 2 0 313.804 2.015 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000876725807 689916794 /nfs/dbraw/zinc/91/67/94/689916794.db2.gz XXGOSJXVBXROOE-OCCSQVGLSA-N 2 0 301.862 2.085 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001034645217 689917864 /nfs/dbraw/zinc/91/78/64/689917864.db2.gz SNIWOWOBZIEOPW-WKILWMFISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000876769663 689931609 /nfs/dbraw/zinc/93/16/09/689931609.db2.gz XGLYBJXVVKRWCA-HOTGVXAUSA-N 2 0 321.852 2.237 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000876777971 689934065 /nfs/dbraw/zinc/93/40/65/689934065.db2.gz UULGNPAOMGMSTD-OAHLLOKOSA-N 2 0 315.889 2.331 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877298950 690070090 /nfs/dbraw/zinc/07/00/90/690070090.db2.gz GZQHDJAVPMAKJY-AWEZNQCLSA-N 2 0 313.873 2.323 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035717339 690159659 /nfs/dbraw/zinc/15/96/59/690159659.db2.gz IOSYUSBXGUNDSI-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035786600 690176033 /nfs/dbraw/zinc/17/60/33/690176033.db2.gz ASENIVDWJOSOKY-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001036092382 690258005 /nfs/dbraw/zinc/25/80/05/690258005.db2.gz DBQUYXDAXJMMCU-DYVFJYSZSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001036136244 690271676 /nfs/dbraw/zinc/27/16/76/690271676.db2.gz HVTKVGOHYIYHJM-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036184558 690284411 /nfs/dbraw/zinc/28/44/11/690284411.db2.gz YSRUXKMKKKUWHX-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000878302574 690372887 /nfs/dbraw/zinc/37/28/87/690372887.db2.gz QXFPNBXEHMDPPD-DFNIBXOVSA-N 2 0 303.494 2.423 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773550 690469755 /nfs/dbraw/zinc/46/97/55/690469755.db2.gz PHSFXJWLODCWDS-YJBOKZPZSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794618 690476661 /nfs/dbraw/zinc/47/66/61/690476661.db2.gz YDONOKGFCMMHTI-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036853987 690499811 /nfs/dbraw/zinc/49/98/11/690499811.db2.gz CHNBQLIHGPXXMF-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000879249092 690602596 /nfs/dbraw/zinc/60/25/96/690602596.db2.gz DXLJGTVZICEFBE-SFHVURJKSA-N 2 0 313.445 2.399 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1CC ZINC001037908434 690638239 /nfs/dbraw/zinc/63/82/39/690638239.db2.gz ZAURMUDAQPTQRK-HOCLYGCPSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250092 690758028 /nfs/dbraw/zinc/75/80/28/690758028.db2.gz YKBBFDAFJSNNSS-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038405555 690809206 /nfs/dbraw/zinc/80/92/06/690809206.db2.gz OUMFAZCKWFIGCT-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173089 691038862 /nfs/dbraw/zinc/03/88/62/691038862.db2.gz NGGRZUQKWCMESR-QZTJIDSGSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849429 691292827 /nfs/dbraw/zinc/29/28/27/691292827.db2.gz REVIFXUYEHTODR-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040914233 691298527 /nfs/dbraw/zinc/29/85/27/691298527.db2.gz MOFNPUDIHJGEGV-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041340759 691363330 /nfs/dbraw/zinc/36/33/30/691363330.db2.gz YMVCEUBOSAEFKC-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723557 691417479 /nfs/dbraw/zinc/41/74/79/691417479.db2.gz IVSFNQNVZCNQDC-HKUYNNGSSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883169820 691446742 /nfs/dbraw/zinc/44/67/42/691446742.db2.gz FAQNEOQUTCQWPC-FHWLQOOXSA-N 2 0 323.525 2.362 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630267 691861483 /nfs/dbraw/zinc/86/14/83/691861483.db2.gz UMWRUKKNKJVJOT-UONOGXRCSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044764683 691883660 /nfs/dbraw/zinc/88/36/60/691883660.db2.gz CJFVZBPDLNDMSO-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC1(O)CC[NH+](CCC[NH+]2CCC(O)(CC=C)CC2)CC1 ZINC000886776883 692189091 /nfs/dbraw/zinc/18/90/91/692189091.db2.gz SDNKAMYZFIUTIX-UHFFFAOYSA-N 2 0 322.493 2.183 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049486544 692897581 /nfs/dbraw/zinc/89/75/81/692897581.db2.gz REGMSCFHYKQKQV-ZJPYXAASSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049592763 692934426 /nfs/dbraw/zinc/93/44/26/692934426.db2.gz JRUMNLUIYBBCOG-IAGOWNOFSA-N 2 0 310.401 2.199 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049693872 692966394 /nfs/dbraw/zinc/96/63/94/692966394.db2.gz PLDFEVMMCDXMEE-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819750 693011257 /nfs/dbraw/zinc/01/12/57/693011257.db2.gz HUNDVRRMSWSNPV-QZTJIDSGSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050577185 693209368 /nfs/dbraw/zinc/20/93/68/693209368.db2.gz NIYLAOMOJLZECP-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)CC2 ZINC000925847837 693352632 /nfs/dbraw/zinc/35/26/32/693352632.db2.gz WFBBTLZLONKDIM-IBGZPJMESA-N 2 0 312.461 2.211 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384205 693520498 /nfs/dbraw/zinc/52/04/98/693520498.db2.gz AZGVONXWMUOFHE-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515822 693554955 /nfs/dbraw/zinc/55/49/55/693554955.db2.gz JWTGZOBVDCURJQ-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766824 693615398 /nfs/dbraw/zinc/61/53/98/693615398.db2.gz OATMZIXAFPOGMR-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)c(F)c1 ZINC001333473940 1150055251 /nfs/dbraw/zinc/05/52/51/1150055251.db2.gz SOFRBKRKLKNLKM-UHFFFAOYSA-N 2 0 319.424 2.202 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001391730411 1156750752 /nfs/dbraw/zinc/75/07/52/1156750752.db2.gz RFYMOQUHLWYEBR-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001392764926 1157395894 /nfs/dbraw/zinc/39/58/94/1157395894.db2.gz MZNYLMYZUDGPBT-GJZGRUSLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001377456237 1160383349 /nfs/dbraw/zinc/38/33/49/1160383349.db2.gz XUTBNECLCOCORR-LBPRGKRZSA-N 2 0 320.824 2.493 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001399224601 1161289216 /nfs/dbraw/zinc/28/92/16/1161289216.db2.gz LBTJESHYAFIDJJ-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001400170294 1161675493 /nfs/dbraw/zinc/67/54/93/1161675493.db2.gz USXUISWUYMQEPE-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001401340135 1161938414 /nfs/dbraw/zinc/93/84/14/1161938414.db2.gz TYUGMEHIRYOUTI-SOUVJXGZSA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001401872343 1162161809 /nfs/dbraw/zinc/16/18/09/1162161809.db2.gz ODXULKNKBXBGKY-GJZGRUSLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001405027656 1163898318 /nfs/dbraw/zinc/89/83/18/1163898318.db2.gz VGZVYGBEJSUONZ-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001406706711 1164804484 /nfs/dbraw/zinc/80/44/84/1164804484.db2.gz BIAQTZUKACVDIW-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419810723 1168856302 /nfs/dbraw/zinc/85/63/02/1168856302.db2.gz ZLZXPSPSIGGNMI-CABCVRRESA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001420025466 1169075388 /nfs/dbraw/zinc/07/53/88/1169075388.db2.gz RPTDYIATDKYYNW-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001424854026 1173991418 /nfs/dbraw/zinc/99/14/18/1173991418.db2.gz KYNXCZCLKZPTRP-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001436473481 1179127064 /nfs/dbraw/zinc/12/70/64/1179127064.db2.gz DOBMRYDEUSWBFV-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001437847529 1180028615 /nfs/dbraw/zinc/02/86/15/1180028615.db2.gz GHTOYGLMXCFZHU-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001438299379 1180329310 /nfs/dbraw/zinc/32/93/10/1180329310.db2.gz JRTAKSVWQYREQX-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001438527889 1180555447 /nfs/dbraw/zinc/55/54/47/1180555447.db2.gz ZUTYAYGADGUFBI-HIFRSBDPSA-N 2 0 315.889 2.203 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001438734665 1180800796 /nfs/dbraw/zinc/80/07/96/1180800796.db2.gz XMCLCXGORXACKY-CQSZACIVSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001441650522 1182113894 /nfs/dbraw/zinc/11/38/94/1182113894.db2.gz KJQRDGHBZZAUDK-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001441850194 1182214346 /nfs/dbraw/zinc/21/43/46/1182214346.db2.gz AHHXETNOROANMB-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001406184874 1164498034 /nfs/dbraw/zinc/49/80/34/1164498034.db2.gz NFEWOUKRRUDGLD-GJZGRUSLSA-N 2 0 313.873 2.004 20 30 DEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122157646 782462669 /nfs/dbraw/zinc/46/26/69/782462669.db2.gz RDRFMPZUZXXGNH-JHJVBQTASA-N 2 0 323.403 2.412 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898387 790293200 /nfs/dbraw/zinc/29/32/00/790293200.db2.gz XDIIHSNJEYWZPH-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001333151962 1150008213 /nfs/dbraw/zinc/00/82/13/1150008213.db2.gz BWBUDGXHQGNKDA-DAWZGUTISA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255725 782579992 /nfs/dbraw/zinc/57/99/92/782579992.db2.gz FHXRNAOZXPSRLU-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106664965 782839982 /nfs/dbraw/zinc/83/99/82/782839982.db2.gz DHMPIDYIGASHBA-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001106865748 783008322 /nfs/dbraw/zinc/00/83/22/783008322.db2.gz PQYWETHVLSRFFW-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419423 783088651 /nfs/dbraw/zinc/08/86/51/783088651.db2.gz GDBWDJTXCLMNJS-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089565438 783213717 /nfs/dbraw/zinc/21/37/17/783213717.db2.gz SAYXSWKIZWXQGE-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947727194 783216059 /nfs/dbraw/zinc/21/60/59/783216059.db2.gz WEEWWWMPJPHDDZ-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232699 776787100 /nfs/dbraw/zinc/78/71/00/776787100.db2.gz MWSGCXPMZBXQAB-INIZCTEOSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237089 776789669 /nfs/dbraw/zinc/78/96/69/776789669.db2.gz UIDFSBNITADCOO-HZPDHXFCSA-N 2 0 307.482 2.026 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355181 777113381 /nfs/dbraw/zinc/11/33/81/777113381.db2.gz QPACYIMJMOUAPS-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067179 778323104 /nfs/dbraw/zinc/32/31/04/778323104.db2.gz QOEIWLQFRDXELV-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211660114 778468190 /nfs/dbraw/zinc/46/81/90/778468190.db2.gz VWDUHKUPXBLWOO-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088010942 779631973 /nfs/dbraw/zinc/63/19/73/779631973.db2.gz RQWDATIJLXPABA-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088021644 779638872 /nfs/dbraw/zinc/63/88/72/779638872.db2.gz XMZFFWLDAXAFKZ-CVEARBPZSA-N 2 0 324.428 2.223 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077205 779680774 /nfs/dbraw/zinc/68/07/74/779680774.db2.gz NOSYJDNXSRIAPH-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001088347647 780004785 /nfs/dbraw/zinc/00/47/85/780004785.db2.gz XGQKONAFWOHROP-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088562767 780477801 /nfs/dbraw/zinc/47/78/01/780477801.db2.gz MBYMHVKDCGOFIT-IKGGRYGDSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579200 780538088 /nfs/dbraw/zinc/53/80/88/780538088.db2.gz UIBSCXUIBSFFOB-CBBWQLFWSA-N 2 0 313.873 2.048 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001091053004 790861471 /nfs/dbraw/zinc/86/14/71/790861471.db2.gz NVGNOKGIOCUTIZ-UHFFFAOYSA-N 2 0 307.463 2.094 20 30 DEEDRP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616524 783282946 /nfs/dbraw/zinc/28/29/46/783282946.db2.gz JHZSJWDVAVTKHV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722613 783387168 /nfs/dbraw/zinc/38/71/68/783387168.db2.gz BABXVOFYCROGGP-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948369232 783441972 /nfs/dbraw/zinc/44/19/72/783441972.db2.gz XRHNPQRMSBPJMQ-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948369231 783442481 /nfs/dbraw/zinc/44/24/81/783442481.db2.gz XRHNPQRMSBPJMQ-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000948425020 783460793 /nfs/dbraw/zinc/46/07/93/783460793.db2.gz NBUCPLUMSVVUBV-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967376733 783969700 /nfs/dbraw/zinc/96/97/00/783969700.db2.gz JUUKDEGOHUJSJO-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378114 784338747 /nfs/dbraw/zinc/33/87/47/784338747.db2.gz NTOWEZJNUAOCIV-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086175806 784465058 /nfs/dbraw/zinc/46/50/58/784465058.db2.gz MNKROHHBLPGNLN-JZXOWHBKSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968857081 784621736 /nfs/dbraw/zinc/62/17/36/784621736.db2.gz SLTOKWYLGGMSMK-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413559 784692414 /nfs/dbraw/zinc/69/24/14/784692414.db2.gz MMVDKIURUHHPOQ-BRWVUGGUSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086418966 784702693 /nfs/dbraw/zinc/70/26/93/784702693.db2.gz VAMUPCFYWOLRGC-MQMHXKEQSA-N 2 0 318.808 2.185 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2nc(CC[NH3+])nc2C)cc1 ZINC001168992751 784994842 /nfs/dbraw/zinc/99/48/42/784994842.db2.gz VOHAVEHWCJQVIQ-QGZVFWFLSA-N 2 0 311.433 2.400 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008267667 785157139 /nfs/dbraw/zinc/15/71/39/785157139.db2.gz BZZCVQWQZVCBAH-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008539393 785234099 /nfs/dbraw/zinc/23/40/99/785234099.db2.gz KCIRYRLUDXHGST-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171246873 791121579 /nfs/dbraw/zinc/12/15/79/791121579.db2.gz HOEFDSGBVKKBST-WMZOPIPTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982801 786119978 /nfs/dbraw/zinc/11/99/78/786119978.db2.gz SITNTEBGWGSUHN-NCOADZHNSA-N 2 0 317.477 2.158 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC001170047884 786157098 /nfs/dbraw/zinc/15/70/98/786157098.db2.gz UMFVQHLSZZFGPN-QZTJIDSGSA-N 2 0 301.434 2.410 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001112586348 786165438 /nfs/dbraw/zinc/16/54/38/786165438.db2.gz VIOIESTUGQEYRC-SCTDSRPQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001113067973 786390699 /nfs/dbraw/zinc/39/06/99/786390699.db2.gz WPEGBULJAQCVCK-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001113067972 786390964 /nfs/dbraw/zinc/39/09/64/786390964.db2.gz WPEGBULJAQCVCK-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCO[C@@H](CC)C2)CC1 ZINC001170235921 786859379 /nfs/dbraw/zinc/85/93/79/786859379.db2.gz BDUDRXLZXSUOAI-OALUTQOASA-N 2 0 321.509 2.236 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096234530 787591363 /nfs/dbraw/zinc/59/13/63/787591363.db2.gz TXIRLZBHIHEFPU-IKGGRYGDSA-N 2 0 305.466 2.016 20 30 DEEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207821 787965902 /nfs/dbraw/zinc/96/59/02/787965902.db2.gz XJTRXHFJYLETTO-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493586 788104757 /nfs/dbraw/zinc/10/47/57/788104757.db2.gz MGPQCTGPYCHETR-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132937252 788231648 /nfs/dbraw/zinc/23/16/48/788231648.db2.gz IZMFQMRKKBNELJ-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132972648 788239754 /nfs/dbraw/zinc/23/97/54/788239754.db2.gz DDIBVQNYWKPUDT-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132972647 788239777 /nfs/dbraw/zinc/23/97/77/788239777.db2.gz DDIBVQNYWKPUDT-DOTOQJQBSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086716682 788734817 /nfs/dbraw/zinc/73/48/17/788734817.db2.gz MMEHJBSAWVALNZ-GVDBMIGSSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086717321 788758930 /nfs/dbraw/zinc/75/89/30/788758930.db2.gz RESPETNELGRBFB-JZXOWHBKSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994445 789157478 /nfs/dbraw/zinc/15/74/78/789157478.db2.gz QWWCIFCGSLMZLI-ZIAGYGMSSA-N 2 0 300.406 2.397 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135102368 789199279 /nfs/dbraw/zinc/19/92/79/789199279.db2.gz ZENBQSJDEIRVKI-DLBZAZTESA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691194 789451303 /nfs/dbraw/zinc/45/13/03/789451303.db2.gz PUZFIBALZDEGFP-DLBZAZTESA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961238 789580628 /nfs/dbraw/zinc/58/06/28/789580628.db2.gz NOVPUPRCIYIIRV-ZIAGYGMSSA-N 2 0 303.878 2.344 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071607425 789809703 /nfs/dbraw/zinc/80/97/03/789809703.db2.gz PIYBROLOGUPWHP-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071954074 789985656 /nfs/dbraw/zinc/98/56/56/789985656.db2.gz JJOYCMGLUCNBDQ-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666529 791636611 /nfs/dbraw/zinc/63/66/11/791636611.db2.gz AYPBJIDGYWUECQ-AOIWGVFYSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148277657 791728207 /nfs/dbraw/zinc/72/82/07/791728207.db2.gz JZNINVPRXFCDBH-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477209 791752338 /nfs/dbraw/zinc/75/23/38/791752338.db2.gz MPLPFUOPKRCCGQ-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907739 791845053 /nfs/dbraw/zinc/84/50/53/791845053.db2.gz AGYIOXGLHBEFJO-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907741 791845366 /nfs/dbraw/zinc/84/53/66/791845366.db2.gz AGYIOXGLHBEFJO-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001099026507 792046283 /nfs/dbraw/zinc/04/62/83/792046283.db2.gz CRKYBRDBPIYXQQ-BQFCYCMXSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537365 792710060 /nfs/dbraw/zinc/71/00/60/792710060.db2.gz QUBFGYUPSMTOGC-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537342 792710766 /nfs/dbraw/zinc/71/07/66/792710766.db2.gz PSCKYAUCAOAISF-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP 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 792994184 /nfs/dbraw/zinc/99/41/84/792994184.db2.gz BNOOANLEDRSCDE-NCOADZHNSA-N 2 0 307.482 2.403 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341200 793126571 /nfs/dbraw/zinc/12/65/71/793126571.db2.gz ALMOIBARNGMETD-AEFFLSMTSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364080 793133957 /nfs/dbraw/zinc/13/39/57/793133957.db2.gz MOODZVICQNNRKV-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101361909 793134629 /nfs/dbraw/zinc/13/46/29/793134629.db2.gz LBDUFAZPBGTPBX-LMMKCTJWSA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171922680 793261900 /nfs/dbraw/zinc/26/19/00/793261900.db2.gz ASPZFRWPBGDARB-AEFFLSMTSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001094946990 793492521 /nfs/dbraw/zinc/49/25/21/793492521.db2.gz VOHBRZXSCMXAFS-ULQDDVLXSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001094953203 793505894 /nfs/dbraw/zinc/50/58/94/793505894.db2.gz AQGZOBUAZFCQQN-BBWFWOEESA-N 2 0 317.477 2.160 20 30 DEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472192 793626284 /nfs/dbraw/zinc/62/62/84/793626284.db2.gz NIYSVNQSJWXEJF-KZNAEPCWSA-N 2 0 321.509 2.060 20 30 DEEDRP C[NH+]1CCC(CN2CC[NH+](C3CCC(C)(C#N)CC3)CC2)CC1 ZINC001173601698 793777466 /nfs/dbraw/zinc/77/74/66/793777466.db2.gz ZUAODQXDEJIXMF-UHFFFAOYSA-N 2 0 318.509 2.418 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103088426 793935995 /nfs/dbraw/zinc/93/59/95/793935995.db2.gz AMTCGXSHHLGIGA-KBAYOESNSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373447 794062733 /nfs/dbraw/zinc/06/27/33/794062733.db2.gz RIUXXCQLKAQIDV-HUUCEWRRSA-N 2 0 319.449 2.215 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC(=C)C)CC1 ZINC001176737662 794483898 /nfs/dbraw/zinc/48/38/98/794483898.db2.gz MGKFWGPMNMPOQQ-QGZVFWFLSA-N 2 0 319.493 2.172 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001177415544 794665980 /nfs/dbraw/zinc/66/59/80/794665980.db2.gz BOYQWPZMGKPAAG-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573113 794826465 /nfs/dbraw/zinc/82/64/65/794826465.db2.gz INSOPXQFHBHODF-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCCC1 ZINC001115661490 794867049 /nfs/dbraw/zinc/86/70/49/794867049.db2.gz BWBXOQGTGOUSHE-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178728756 794991653 /nfs/dbraw/zinc/99/16/53/794991653.db2.gz DTWOQMMXBACMQN-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178816080 795012690 /nfs/dbraw/zinc/01/26/90/795012690.db2.gz TVPBUBYEJZYJPD-DLBZAZTESA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814980 795012896 /nfs/dbraw/zinc/01/28/96/795012896.db2.gz YBKXTLVMANHHOI-XHSDSOJGSA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239100 795082206 /nfs/dbraw/zinc/08/22/06/795082206.db2.gz QSKGPTDTFYNTHH-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060623 795233737 /nfs/dbraw/zinc/23/37/37/795233737.db2.gz JTYPAVFVRMXARD-HNNXBMFYSA-N 2 0 315.889 2.347 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138912 795240024 /nfs/dbraw/zinc/24/00/24/795240024.db2.gz QWACEBMKAGEPMJ-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372603 795293034 /nfs/dbraw/zinc/29/30/34/795293034.db2.gz DLAPJLOVPTUTFM-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130340 795410291 /nfs/dbraw/zinc/41/02/91/795410291.db2.gz WYHYQSSUXUSNBF-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120207845 795422333 /nfs/dbraw/zinc/42/23/33/795422333.db2.gz ISTVLXFYAXJZBJ-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422665 795455931 /nfs/dbraw/zinc/45/59/31/795455931.db2.gz NXMBYBXFOFOVAA-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440145 795459422 /nfs/dbraw/zinc/45/94/22/795459422.db2.gz MAOZPJGZXGMMCK-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120833803 795539459 /nfs/dbraw/zinc/53/94/59/795539459.db2.gz AVUFSOAVKIPSSH-HVEGKCCWSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121654093 795668226 /nfs/dbraw/zinc/66/82/26/795668226.db2.gz PNCBBMYNTOZKIP-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623981 795715191 /nfs/dbraw/zinc/71/51/91/795715191.db2.gz WYECGTSAJQHXOV-VQIMIIECSA-N 2 0 321.509 2.062 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122021572 795717813 /nfs/dbraw/zinc/71/78/13/795717813.db2.gz ARIAMPHTSXIXEM-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122242633 795739126 /nfs/dbraw/zinc/73/91/26/795739126.db2.gz MLRCMINMRCBNIV-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001183228653 795828042 /nfs/dbraw/zinc/82/80/42/795828042.db2.gz OSYXANCVBOKTBU-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185412250 796260495 /nfs/dbraw/zinc/26/04/95/796260495.db2.gz QSUDGAUNDCQMDU-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185740411 796310439 /nfs/dbraw/zinc/31/04/39/796310439.db2.gz BXAXZPNJNIAZOA-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCOc1ccccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001139029543 796311938 /nfs/dbraw/zinc/31/19/38/796311938.db2.gz CXKPGUZCSBPSMT-UHFFFAOYSA-N 2 0 305.466 2.177 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203036668 796520805 /nfs/dbraw/zinc/52/08/05/796520805.db2.gz PYDYXZXKFTURRI-DLBZAZTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188139629 796632051 /nfs/dbraw/zinc/63/20/51/796632051.db2.gz QGENXBGBZYQCTK-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111268 796764526 /nfs/dbraw/zinc/76/45/26/796764526.db2.gz XWKRXMWCKJTESK-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870740 796894550 /nfs/dbraw/zinc/89/45/50/796894550.db2.gz DQBJUMVIZIOLOP-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646138 797048122 /nfs/dbraw/zinc/04/81/22/797048122.db2.gz XWRBNEPWLXAMIV-HOTGVXAUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080556 797133673 /nfs/dbraw/zinc/13/36/73/797133673.db2.gz IWQFKBAKRWLZBW-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967076 797299569 /nfs/dbraw/zinc/29/95/69/797299569.db2.gz DBMLLCNFVMWJTI-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407166 797386482 /nfs/dbraw/zinc/38/64/82/797386482.db2.gz RYRZWOPJUGCCJG-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680148 797430025 /nfs/dbraw/zinc/43/00/25/797430025.db2.gz LSUKRHOFPHHBEO-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917215 797471554 /nfs/dbraw/zinc/47/15/54/797471554.db2.gz LBBKTFNPDSDIBW-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193205747 797520760 /nfs/dbraw/zinc/52/07/60/797520760.db2.gz VWFNTTJGOMDLBH-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203781263 797587591 /nfs/dbraw/zinc/58/75/91/797587591.db2.gz JVWMFQBFUKALBK-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCCC)C2)CC1 ZINC001194245754 797699612 /nfs/dbraw/zinc/69/96/12/797699612.db2.gz DRYDIGPIRACHRK-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246932 797700011 /nfs/dbraw/zinc/70/00/11/797700011.db2.gz TUUSPAHWCYEWEC-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196153780 798014549 /nfs/dbraw/zinc/01/45/49/798014549.db2.gz AAIRYVMRQPHQEP-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCC[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641620 798082301 /nfs/dbraw/zinc/08/23/01/798082301.db2.gz JJHORZMXXYZYQS-UHFFFAOYSA-N 2 0 319.493 2.199 20 30 DEEDRP CCCc1cc(C#N)c(NC(=N)NCCCC[NH3+])nc1Cl ZINC001157097021 798142911 /nfs/dbraw/zinc/14/29/11/798142911.db2.gz QYIQIPKOVQEOKT-UHFFFAOYSA-N 2 0 308.817 2.234 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001203313503 798267609 /nfs/dbraw/zinc/26/76/09/798267609.db2.gz RXMZOSZYERSCRQ-UHFFFAOYSA-N 2 0 321.509 2.493 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001158067268 798336139 /nfs/dbraw/zinc/33/61/39/798336139.db2.gz ZHALIGHYONFMAY-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001158468378 798411808 /nfs/dbraw/zinc/41/18/08/798411808.db2.gz UXSUWGULBBJXTL-CABCVRRESA-N 2 0 316.449 2.329 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768074 798465965 /nfs/dbraw/zinc/46/59/65/798465965.db2.gz HDKFQOZECCHVKU-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856476 798479374 /nfs/dbraw/zinc/47/93/74/798479374.db2.gz IYAIUQWZSFKUCX-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159900937 798623661 /nfs/dbraw/zinc/62/36/61/798623661.db2.gz DTOPFILKZJUATG-CQSZACIVSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160380222 798681528 /nfs/dbraw/zinc/68/15/28/798681528.db2.gz VNPFAZKQGCHYJD-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406346 798684340 /nfs/dbraw/zinc/68/43/40/798684340.db2.gz NYVIYCDESKBDAB-KRWDZBQOSA-N 2 0 307.482 2.287 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201610909 798779256 /nfs/dbraw/zinc/77/92/56/798779256.db2.gz SNSOKWKGONKOND-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793499 798798365 /nfs/dbraw/zinc/79/83/65/798798365.db2.gz DVCKKBHNVRRQCJ-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161407702 798848505 /nfs/dbraw/zinc/84/85/05/798848505.db2.gz LJUIFDJBYRERGJ-MRXNPFEDSA-N 2 0 318.465 2.359 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406343 799090304 /nfs/dbraw/zinc/09/03/04/799090304.db2.gz AJSJNFQSCMVPNS-FVQHAEBGSA-N 2 0 319.493 2.264 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463019 799128895 /nfs/dbraw/zinc/12/88/95/799128895.db2.gz CRCNXLSOVBPGIC-TWMKSMIVSA-N 2 0 309.498 2.343 20 30 DEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977495 799212433 /nfs/dbraw/zinc/21/24/33/799212433.db2.gz TYAIHENTVSXHSW-UHFFFAOYSA-N 2 0 317.477 2.175 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163821759 799441222 /nfs/dbraw/zinc/44/12/22/799441222.db2.gz OZSJGJQBFFONFL-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001202771339 799486786 /nfs/dbraw/zinc/48/67/86/799486786.db2.gz BRWFGMZMOODINC-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001095498778 799632759 /nfs/dbraw/zinc/63/27/59/799632759.db2.gz DRBMZIFQRMRIMW-LTIDMASMSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165331813 799706266 /nfs/dbraw/zinc/70/62/66/799706266.db2.gz DFXBTNLAPYPMRH-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165776596 799772518 /nfs/dbraw/zinc/77/25/18/799772518.db2.gz PTWKLPZKTMHXLB-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912363 799793274 /nfs/dbraw/zinc/79/32/74/799793274.db2.gz PZTZGDUZCYLNNB-UHFFFAOYSA-N 2 0 324.428 2.156 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793353 799951651 /nfs/dbraw/zinc/95/16/51/799951651.db2.gz KJEMVKIYPVDIOA-MRXNPFEDSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203876758 800138856 /nfs/dbraw/zinc/13/88/56/800138856.db2.gz OLHWOTOQXLZYDF-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469564 800361546 /nfs/dbraw/zinc/36/15/46/800361546.db2.gz MMPUSWSRRVCIGZ-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700851 800405700 /nfs/dbraw/zinc/40/57/00/800405700.db2.gz YXYGROZPSGMHMF-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001206865611 800609803 /nfs/dbraw/zinc/60/98/03/800609803.db2.gz YUKHBEQVZIUGMM-UHFFFAOYSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871228 800611362 /nfs/dbraw/zinc/61/13/62/800611362.db2.gz CVOZICCBTDWFLN-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014488 800893352 /nfs/dbraw/zinc/89/33/52/800893352.db2.gz QRXJUPNUTBHXHK-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208747901 801062114 /nfs/dbraw/zinc/06/21/14/801062114.db2.gz FRFVFNBDGCUYLI-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCN(CC[NH+]1CCC2(CC[NH+](C)CC2)CC1)C(=O)OCC ZINC001209021354 801112290 /nfs/dbraw/zinc/11/22/90/801112290.db2.gz YWDUEPMQYCVVJT-UHFFFAOYSA-N 2 0 323.481 2.439 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209588391 801226715 /nfs/dbraw/zinc/22/67/15/801226715.db2.gz HRVVKRKIXUBTCT-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698286 801259754 /nfs/dbraw/zinc/25/97/54/801259754.db2.gz NSWNAUAMEFYFBT-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378000 801394971 /nfs/dbraw/zinc/39/49/71/801394971.db2.gz HUWMHVZLJYKWEZ-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591958 801430333 /nfs/dbraw/zinc/43/03/33/801430333.db2.gz NRQVMBQYSXSWPL-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001216173827 801946030 /nfs/dbraw/zinc/94/60/30/801946030.db2.gz GMWMRPJZBBRIFB-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223378446 802785738 /nfs/dbraw/zinc/78/57/38/802785738.db2.gz JQQBOSOCJYQNMX-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226890104 803172875 /nfs/dbraw/zinc/17/28/75/803172875.db2.gz IMHDGSSRQMPJKP-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228646665 803386471 /nfs/dbraw/zinc/38/64/71/803386471.db2.gz JNOHIDMYNGRLHQ-MCIONIFRSA-N 2 0 301.862 2.096 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCCC)C2)CC1 ZINC001330708506 1149264247 /nfs/dbraw/zinc/26/42/47/1149264247.db2.gz NRSRQTHKZWNGJF-SAABIXHNSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)Cn2cncc2C)CC1 ZINC001328577375 1148812581 /nfs/dbraw/zinc/81/25/81/1148812581.db2.gz FDSQPOJKTKJXNR-UHFFFAOYSA-N 2 0 318.465 2.328 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001328738788 1148829860 /nfs/dbraw/zinc/82/98/60/1148829860.db2.gz YPUNORFEGSTSDP-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001328764264 1148832497 /nfs/dbraw/zinc/83/24/97/1148832497.db2.gz JUFOEFWGKPPJTM-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001328783910 1148834979 /nfs/dbraw/zinc/83/49/79/1148834979.db2.gz AGIWGDJYCWUEDU-OAHLLOKOSA-N 2 0 315.889 2.394 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001328796094 1148835946 /nfs/dbraw/zinc/83/59/46/1148835946.db2.gz GUFWGKGRNUGTBH-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC)C2CCCC2)CC1 ZINC001500130068 1058511543 /nfs/dbraw/zinc/51/15/43/1058511543.db2.gz AGWKJESUCYBJSH-GOSISDBHSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001501625361 1059583735 /nfs/dbraw/zinc/58/37/35/1059583735.db2.gz IOLOHTCMRSKDHU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001502129492 1059969355 /nfs/dbraw/zinc/96/93/55/1059969355.db2.gz GVBQRMJMFHNPBI-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001503023406 1060426146 /nfs/dbraw/zinc/42/61/46/1060426146.db2.gz LSTUVCMWANUGFA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001505397410 1060525327 /nfs/dbraw/zinc/52/53/27/1060525327.db2.gz FDELSYVNMZKFCH-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505430576 1060580273 /nfs/dbraw/zinc/58/02/73/1060580273.db2.gz FBDIQHSDDSXUNA-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505430577 1060581476 /nfs/dbraw/zinc/58/14/76/1060581476.db2.gz FBDIQHSDDSXUNA-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001505473847 1060643302 /nfs/dbraw/zinc/64/33/02/1060643302.db2.gz ZCTIIOKUJIDGSX-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479525950 1061495354 /nfs/dbraw/zinc/49/53/54/1061495354.db2.gz VCJKNHRCIHONSU-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001479572744 1061507656 /nfs/dbraw/zinc/50/76/56/1061507656.db2.gz QTYIJUMGIHHVGV-IKGGRYGDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613554 1061519706 /nfs/dbraw/zinc/51/97/06/1061519706.db2.gz NEZDYSPEIZNUAH-PVAVHDDUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1CC ZINC001479647685 1061559451 /nfs/dbraw/zinc/55/94/51/1061559451.db2.gz YMSPUQKGUXQDLD-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001506489107 1062037309 /nfs/dbraw/zinc/03/73/09/1062037309.db2.gz OHYQXZFXOCNCAQ-ROUUACIJSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479915063 1062050929 /nfs/dbraw/zinc/05/09/29/1062050929.db2.gz HGZQRFVZMBNWMQ-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001506625772 1062208430 /nfs/dbraw/zinc/20/84/30/1062208430.db2.gz FKXICPRVXDZCCI-HUUCEWRRSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001480140015 1062376741 /nfs/dbraw/zinc/37/67/41/1062376741.db2.gz HPXDANOINOVPKG-MGPQQGTHSA-N 2 0 324.856 2.386 20 30 DEEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001507145122 1062911717 /nfs/dbraw/zinc/91/17/17/1062911717.db2.gz WZDZTIWZJAYYKC-AEFFLSMTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480653888 1063147669 /nfs/dbraw/zinc/14/76/69/1063147669.db2.gz UBIXQCKBZKOZTA-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001507396728 1063224750 /nfs/dbraw/zinc/22/47/50/1063224750.db2.gz FAOVGQFWIAEJSN-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001494138545 1064135589 /nfs/dbraw/zinc/13/55/89/1064135589.db2.gz WGWPJAUEAAZLEU-AWEZNQCLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001567626714 1064290242 /nfs/dbraw/zinc/29/02/42/1064290242.db2.gz FXHBMCZOTCKBIQ-WBVHZDCISA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001567998350 1064585123 /nfs/dbraw/zinc/58/51/23/1064585123.db2.gz JCQYVGHPMLIXMM-MRXNPFEDSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001495012461 1064642431 /nfs/dbraw/zinc/64/24/31/1064642431.db2.gz PPKSWVNJXIWXOC-CQSZACIVSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001568176011 1064685277 /nfs/dbraw/zinc/68/52/77/1064685277.db2.gz PIYXUSQJMLVWOJ-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001568357840 1064801945 /nfs/dbraw/zinc/80/19/45/1064801945.db2.gz MKRRVLMMTINCJE-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001568358331 1064804653 /nfs/dbraw/zinc/80/46/53/1064804653.db2.gz CLECLBMQPBAGDQ-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568393094 1064832469 /nfs/dbraw/zinc/83/24/69/1064832469.db2.gz CWSBHAJJQGEYHW-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001569165708 1065332372 /nfs/dbraw/zinc/33/23/72/1065332372.db2.gz VEQUNNVELKXAGC-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386057 1065480834 /nfs/dbraw/zinc/48/08/34/1065480834.db2.gz IYGASXUBDZCEMX-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001569400279 1065489292 /nfs/dbraw/zinc/48/92/92/1065489292.db2.gz KQKCEVWLHAZHSY-JKSUJKDBSA-N 2 0 307.482 2.452 20 30 DEEDRP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001569442867 1065510060 /nfs/dbraw/zinc/51/00/60/1065510060.db2.gz MGVGQPAKWHAEEC-FBVQUNGASA-N 2 0 319.493 2.098 20 30 DEEDRP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569442868 1065510579 /nfs/dbraw/zinc/51/05/79/1065510579.db2.gz MGVGQPAKWHAEEC-HQSKLWIPSA-N 2 0 319.493 2.098 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001569518693 1065562419 /nfs/dbraw/zinc/56/24/19/1065562419.db2.gz KVJIVJWPEGHKAA-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001569614293 1065624157 /nfs/dbraw/zinc/62/41/57/1065624157.db2.gz QIZCQMDHTVWXDA-QGZVFWFLSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569828215 1065749759 /nfs/dbraw/zinc/74/97/59/1065749759.db2.gz HRCQMUSMGLBGDN-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570014047 1065883770 /nfs/dbraw/zinc/88/37/70/1065883770.db2.gz XDQDHJPAHCMGBJ-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497384555 1066065016 /nfs/dbraw/zinc/06/50/16/1066065016.db2.gz YNCCHCDCSHUYJT-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC2)CC1 ZINC001576728964 1066672509 /nfs/dbraw/zinc/67/25/09/1066672509.db2.gz AOYDTSRGRPUKLL-JCYILVPMSA-N 2 0 320.481 2.167 20 30 DEEDRP N#C[C@@H](c1ccccc1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001580036092 1067477672 /nfs/dbraw/zinc/47/76/72/1067477672.db2.gz NHHBVYGSAYGDDI-IBGZPJMESA-N 2 0 312.461 2.259 20 30 DEEDRP N#Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC001580062418 1067485988 /nfs/dbraw/zinc/48/59/88/1067485988.db2.gz YLPLEAJMFFODOR-QILLFSRXSA-N 2 0 317.408 2.416 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001483616273 1078628636 /nfs/dbraw/zinc/62/86/36/1078628636.db2.gz CEJUTKOUMRIRIY-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001570620204 1068040455 /nfs/dbraw/zinc/04/04/55/1068040455.db2.gz BRMQIFFAFNVBMF-JKSUJKDBSA-N 2 0 317.477 2.463 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001570667273 1068060304 /nfs/dbraw/zinc/06/03/04/1068060304.db2.gz BMFXDQYCHFKKEA-ABHNRTSZSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001570796078 1068119953 /nfs/dbraw/zinc/11/99/53/1068119953.db2.gz CVSOECGRQFKDTA-QGZVFWFLSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001571483904 1068338687 /nfs/dbraw/zinc/33/86/87/1068338687.db2.gz XRFURPSJRMDRSZ-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001571503712 1068362585 /nfs/dbraw/zinc/36/25/85/1068362585.db2.gz UXFUKRSIHRYVHQ-CRAIPNDOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001571504864 1068363315 /nfs/dbraw/zinc/36/33/15/1068363315.db2.gz JQIWSPCWVNVWLP-AEFFLSMTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001571537392 1068405281 /nfs/dbraw/zinc/40/52/81/1068405281.db2.gz BCOYVOSFGHAHSH-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267267891 1078714747 /nfs/dbraw/zinc/71/47/47/1078714747.db2.gz TULGPYXNTGDKDZ-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001571639278 1068454015 /nfs/dbraw/zinc/45/40/15/1068454015.db2.gz KYBRZOHDSKVURE-IAGOWNOFSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001571648746 1068458499 /nfs/dbraw/zinc/45/84/99/1068458499.db2.gz DMVJIXXMDVCSGV-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267282210 1078728622 /nfs/dbraw/zinc/72/86/22/1078728622.db2.gz BUBGFRDZTIATCP-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001267317800 1078761149 /nfs/dbraw/zinc/76/11/49/1078761149.db2.gz ANQGTEWMLLYOEN-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001267346095 1078781893 /nfs/dbraw/zinc/78/18/93/1078781893.db2.gz KWUKWCYVAKSOGB-GOSISDBHSA-N 2 0 315.461 2.142 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267466863 1078880281 /nfs/dbraw/zinc/88/02/81/1078880281.db2.gz SEZISVNFBJYENC-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001574852421 1069278244 /nfs/dbraw/zinc/27/82/44/1069278244.db2.gz SGQNIOXPEHPECG-STQMWFEESA-N 2 0 311.813 2.003 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267537417 1078967748 /nfs/dbraw/zinc/96/77/48/1078967748.db2.gz IPTAWRVWVOKESN-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267596703 1079114570 /nfs/dbraw/zinc/11/45/70/1079114570.db2.gz OZUPWXNHCORTJN-GOSISDBHSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001649462377 1079130075 /nfs/dbraw/zinc/13/00/75/1079130075.db2.gz VSXYGWMVQUAMTL-INIZCTEOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001483817519 1079131816 /nfs/dbraw/zinc/13/18/16/1079131816.db2.gz PDRFLXGMOXKCNK-INIZCTEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483946072 1079202127 /nfs/dbraw/zinc/20/21/27/1079202127.db2.gz MDFTZVDELRUILW-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483946069 1079202214 /nfs/dbraw/zinc/20/22/14/1079202214.db2.gz MDFTZVDELRUILW-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC)CC1 ZINC001483989602 1079228188 /nfs/dbraw/zinc/22/81/88/1079228188.db2.gz PODFJZKPDWONQB-IRXDYDNUSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484011946 1079240810 /nfs/dbraw/zinc/24/08/10/1079240810.db2.gz NPDSHGQEXXMFAT-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484107178 1079306764 /nfs/dbraw/zinc/30/67/64/1079306764.db2.gz JEUORDAWGIUVSF-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267681421 1079371387 /nfs/dbraw/zinc/37/13/87/1079371387.db2.gz MPHTYRYIMFFNSA-NVXWUHKLSA-N 2 0 309.498 2.345 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001566076316 1075225467 /nfs/dbraw/zinc/22/54/67/1075225467.db2.gz VTHARJOSYWAHIE-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267701017 1079388092 /nfs/dbraw/zinc/38/80/92/1079388092.db2.gz LXQVXJJEVBSNNB-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001566841859 1075358283 /nfs/dbraw/zinc/35/82/83/1075358283.db2.gz IJZTWRONWMDSMF-NCOADZHNSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267707591 1079393497 /nfs/dbraw/zinc/39/34/97/1079393497.db2.gz BNYOLZVKBMNZCP-KRWDZBQOSA-N 2 0 315.461 2.328 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001566854941 1075362922 /nfs/dbraw/zinc/36/29/22/1075362922.db2.gz UAQPLBMYEGXMAR-YYIAUSFCSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566875514 1075370770 /nfs/dbraw/zinc/37/07/70/1075370770.db2.gz WFLPHWKBBBKPAO-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001267710831 1079398126 /nfs/dbraw/zinc/39/81/26/1079398126.db2.gz ANPUXGLRCRNATF-QAETUUGQSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001566972836 1075404178 /nfs/dbraw/zinc/40/41/78/1075404178.db2.gz NHUXMSYWIUWUMM-IECFSIQFSA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054172 1075423851 /nfs/dbraw/zinc/42/38/51/1075423851.db2.gz LSCWLGBVDUQVJO-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001567055585 1075424737 /nfs/dbraw/zinc/42/47/37/1075424737.db2.gz AWSTYWFWAQCSOW-NXHRZFHOSA-N 2 0 315.461 2.002 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001567133329 1075440025 /nfs/dbraw/zinc/44/00/25/1075440025.db2.gz XXMFYMKMKRLMNQ-MRXNPFEDSA-N 2 0 315.461 2.028 20 30 DEEDRP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567195664 1075460560 /nfs/dbraw/zinc/46/05/60/1075460560.db2.gz BDHNVMHUCZZCEC-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001496349275 1079459114 /nfs/dbraw/zinc/45/91/14/1079459114.db2.gz CMLKSIXXKWDHLJ-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267758995 1079460856 /nfs/dbraw/zinc/46/08/56/1079460856.db2.gz VAEOXJSYUOQWEW-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001267841326 1079530843 /nfs/dbraw/zinc/53/08/43/1079530843.db2.gz AOINTLVYJVFUSN-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001267874439 1079562585 /nfs/dbraw/zinc/56/25/85/1079562585.db2.gz UIMGBFIXNXWWMV-WMZOPIPTSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001484393896 1079588578 /nfs/dbraw/zinc/58/85/78/1079588578.db2.gz DNIPJLOHHUJOSW-WKILWMFISA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267919103 1079601688 /nfs/dbraw/zinc/60/16/88/1079601688.db2.gz PAAGJQYHIHNNPM-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267924294 1079606877 /nfs/dbraw/zinc/60/68/77/1079606877.db2.gz HTCFUPBJYCHJLO-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H](C)C1 ZINC001671250909 1079639407 /nfs/dbraw/zinc/63/94/07/1079639407.db2.gz GBLHJKAUGKTUPQ-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001484555484 1079661420 /nfs/dbraw/zinc/66/14/20/1079661420.db2.gz OEBPKSUCDOELRY-KRWDZBQOSA-N 2 0 301.434 2.015 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001484563606 1079662351 /nfs/dbraw/zinc/66/23/51/1079662351.db2.gz QZSUWWLLVINEEQ-YOEHRIQHSA-N 2 0 301.434 2.091 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001484574602 1079667589 /nfs/dbraw/zinc/66/75/89/1079667589.db2.gz HGKGNRDWEXPPOM-IYARVYRRSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001484618740 1079690236 /nfs/dbraw/zinc/69/02/36/1079690236.db2.gz UZIZAZUVJBCIQA-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001481335266 1079730136 /nfs/dbraw/zinc/73/01/36/1079730136.db2.gz SZDGSGXYNMLGIK-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001268035295 1079862467 /nfs/dbraw/zinc/86/24/67/1079862467.db2.gz XYXBLEJSRNFRME-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001485002781 1079911303 /nfs/dbraw/zinc/91/13/03/1079911303.db2.gz ZAIBZFTVQCCDRC-INIZCTEOSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001485031563 1079923671 /nfs/dbraw/zinc/92/36/71/1079923671.db2.gz AJBTXUSRZDONBM-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001481487528 1079944757 /nfs/dbraw/zinc/94/47/57/1079944757.db2.gz DQQQLEUQGGGOJE-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(CC)CC)CC1 ZINC001485229283 1080077068 /nfs/dbraw/zinc/07/70/68/1080077068.db2.gz IORJEZBQNOQETP-CVEARBPZSA-N 2 0 321.509 2.251 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001656905513 1080137391 /nfs/dbraw/zinc/13/73/91/1080137391.db2.gz ZPLWGEULEWSWMF-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657044112 1080149519 /nfs/dbraw/zinc/14/95/19/1080149519.db2.gz OKUFANYOOZZPIE-FGTMMUONSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268181453 1080171222 /nfs/dbraw/zinc/17/12/22/1080171222.db2.gz XSQHEQUGONSINH-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001658778261 1080217810 /nfs/dbraw/zinc/21/78/10/1080217810.db2.gz UUQKHGOPTQDWIG-YTQUADARSA-N 2 0 312.461 2.466 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485466078 1080223802 /nfs/dbraw/zinc/22/38/02/1080223802.db2.gz POQIYDPRPHQAJF-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001485457038 1080226521 /nfs/dbraw/zinc/22/65/21/1080226521.db2.gz GUCZOWXZQPUQTF-OAHLLOKOSA-N 2 0 316.449 2.020 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001268265558 1080245385 /nfs/dbraw/zinc/24/53/85/1080245385.db2.gz ABEKTIGFFKGWJA-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481702135 1080321209 /nfs/dbraw/zinc/32/12/09/1080321209.db2.gz FZXXWWBUIOILBB-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001660553796 1080356442 /nfs/dbraw/zinc/35/64/42/1080356442.db2.gz PWUAOLFXDDCLED-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001485666462 1080356468 /nfs/dbraw/zinc/35/64/68/1080356468.db2.gz MXZXOGIDKGKPQY-YTQUADARSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC001485657718 1080358938 /nfs/dbraw/zinc/35/89/38/1080358938.db2.gz NASGZRTYKYZDMY-BBWFWOEESA-N 2 0 316.449 2.066 20 30 DEEDRP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268373712 1080385361 /nfs/dbraw/zinc/38/53/61/1080385361.db2.gz RKKYHOQRACPCKU-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485741578 1080401894 /nfs/dbraw/zinc/40/18/94/1080401894.db2.gz JZWUPZXRTMAZNC-HNNXBMFYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)CC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001485762605 1080420871 /nfs/dbraw/zinc/42/08/71/1080420871.db2.gz DOMZIWFSIDROGM-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001481747088 1080429643 /nfs/dbraw/zinc/42/96/43/1080429643.db2.gz LSKWWSVPAPAXON-ROUUACIJSA-N 2 0 315.461 2.398 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001661067179 1080437277 /nfs/dbraw/zinc/43/72/77/1080437277.db2.gz XUSHGSPCGODLME-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001661067180 1080437570 /nfs/dbraw/zinc/43/75/70/1080437570.db2.gz XUSHGSPCGODLME-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481782893 1080501583 /nfs/dbraw/zinc/50/15/83/1080501583.db2.gz SZAAVAUUBUXIBD-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481879965 1080570669 /nfs/dbraw/zinc/57/06/69/1080570669.db2.gz BHACSADEYANHKA-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001662578119 1080617369 /nfs/dbraw/zinc/61/73/69/1080617369.db2.gz SXRPLFKHPLUZKN-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482051674 1080752612 /nfs/dbraw/zinc/75/26/12/1080752612.db2.gz KQWAEUKMBXZSJW-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001663727972 1080809644 /nfs/dbraw/zinc/80/96/44/1080809644.db2.gz VLQQSLVFRXEQLY-KRWDZBQOSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268810941 1081001896 /nfs/dbraw/zinc/00/18/96/1081001896.db2.gz CMMKXTWOGMTNRK-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCCC)C2)CC1 ZINC001665686279 1081062554 /nfs/dbraw/zinc/06/25/54/1081062554.db2.gz GWEFTCYSUREYMN-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097283 1081114765 /nfs/dbraw/zinc/11/47/65/1081114765.db2.gz YSHPDURFKUFEHU-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001269184310 1081155732 /nfs/dbraw/zinc/15/57/32/1081155732.db2.gz ZXAYOUKVIKTTAK-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001269254643 1081185112 /nfs/dbraw/zinc/18/51/12/1081185112.db2.gz CWXKENOJPACXRX-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001667353598 1081242187 /nfs/dbraw/zinc/24/21/87/1081242187.db2.gz VHJHNOKGAGHYKO-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001667647959 1081270085 /nfs/dbraw/zinc/27/00/85/1081270085.db2.gz OYDZTBIYCZDWGT-GOSISDBHSA-N 2 0 315.461 2.093 20 30 DEEDRP C=CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CCCCCC1 ZINC001269616509 1081308500 /nfs/dbraw/zinc/30/85/00/1081308500.db2.gz NJFJTFLCJWPWAD-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001269617013 1081309470 /nfs/dbraw/zinc/30/94/70/1081309470.db2.gz WPGCEUPZJOVHMM-SFHVURJKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001269617012 1081309745 /nfs/dbraw/zinc/30/97/45/1081309745.db2.gz WPGCEUPZJOVHMM-GOSISDBHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001269622044 1081312180 /nfs/dbraw/zinc/31/21/80/1081312180.db2.gz ZROANNCMQPMFEL-UHFFFAOYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001669664270 1081462751 /nfs/dbraw/zinc/46/27/51/1081462751.db2.gz HFIVJMQIWYUKBT-HNNXBMFYSA-N 2 0 303.450 2.075 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482283071 1081510080 /nfs/dbraw/zinc/51/00/80/1081510080.db2.gz CDOPKQOIIAWEAU-ZIAGYGMSSA-N 2 0 301.862 2.048 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001671542789 1081522830 /nfs/dbraw/zinc/52/28/30/1081522830.db2.gz XBCYQOMQCNFNTD-MSOLQXFVSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001671748356 1081536337 /nfs/dbraw/zinc/53/63/37/1081536337.db2.gz SWNIUPAPHCMXSC-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001671900590 1081547390 /nfs/dbraw/zinc/54/73/90/1081547390.db2.gz CTKBDJGKFABZRO-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001270788262 1081713275 /nfs/dbraw/zinc/71/32/75/1081713275.db2.gz IAOFJHRXVLNMSK-AEFFLSMTSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001672938253 1081724337 /nfs/dbraw/zinc/72/43/37/1081724337.db2.gz RKLPRUMWPZTYFW-YJBOKZPZSA-N 2 0 313.445 2.071 20 30 DEEDRP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001672938252 1081724695 /nfs/dbraw/zinc/72/46/95/1081724695.db2.gz RKLPRUMWPZTYFW-QAPCUYQASA-N 2 0 313.445 2.071 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001111408443 1081820086 /nfs/dbraw/zinc/82/00/86/1081820086.db2.gz YYQAECYQXCILFV-HZMVEIRTSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001674505506 1081884067 /nfs/dbraw/zinc/88/40/67/1081884067.db2.gz OLEAHAATSHSXIC-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001271287144 1082005315 /nfs/dbraw/zinc/00/53/15/1082005315.db2.gz ZAZPXNNXOSUMDO-MSOLQXFVSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001266434281 1082036525 /nfs/dbraw/zinc/03/65/25/1082036525.db2.gz VGSWDAJZJDMWCL-QGZVFWFLSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001271656075 1082102120 /nfs/dbraw/zinc/10/21/20/1082102120.db2.gz PJPBRTAVHULOAF-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001271764264 1082147877 /nfs/dbraw/zinc/14/78/77/1082147877.db2.gz JFNLIVYBYQYUGF-BZSNNMDCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001670555687 1082179561 /nfs/dbraw/zinc/17/95/61/1082179561.db2.gz CEFPHIDQVVCVHH-IAGOWNOFSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001266599937 1082185915 /nfs/dbraw/zinc/18/59/15/1082185915.db2.gz CPWSWPQOQMPGRJ-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266872685 1082421645 /nfs/dbraw/zinc/42/16/45/1082421645.db2.gz NEZTUBVQLRJARV-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266884832 1082429866 /nfs/dbraw/zinc/42/98/66/1082429866.db2.gz UASHSVUEGNTCHW-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482661962 1082441065 /nfs/dbraw/zinc/44/10/65/1082441065.db2.gz IEBNBCSMCSWSET-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482943672 1082570408 /nfs/dbraw/zinc/57/04/08/1082570408.db2.gz KYOWNZWOKMPHLH-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001276423122 1083424152 /nfs/dbraw/zinc/42/41/52/1083424152.db2.gz UJRNFQCTPAKJRB-LSDHHAIUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001276423119 1083424397 /nfs/dbraw/zinc/42/43/97/1083424397.db2.gz UJRNFQCTPAKJRB-CABCVRRESA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107538162 1083469357 /nfs/dbraw/zinc/46/93/57/1083469357.db2.gz JCBDCCBOCGMROI-JFIYKMOQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001272762615 1083957684 /nfs/dbraw/zinc/95/76/84/1083957684.db2.gz BCARNWVPWSCTAQ-TVFCKZIOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001491059860 1084037161 /nfs/dbraw/zinc/03/71/61/1084037161.db2.gz CAOLPDPNJYHQKS-FPCVCCKLSA-N 2 0 304.438 2.426 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001277586937 1084046081 /nfs/dbraw/zinc/04/60/81/1084046081.db2.gz HSLJSIAFBYEJMK-QGZVFWFLSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001670937451 1084156229 /nfs/dbraw/zinc/15/62/29/1084156229.db2.gz NYCHPKXMFKGBKD-HQSKLWIPSA-N 2 0 319.493 2.098 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491281836 1084205310 /nfs/dbraw/zinc/20/53/10/1084205310.db2.gz LQKPKNNTKAFTEL-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001491338224 1084242122 /nfs/dbraw/zinc/24/21/22/1084242122.db2.gz RNDIEIGXZYXVRK-SFFUCWETSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540435 1084260922 /nfs/dbraw/zinc/26/09/22/1084260922.db2.gz WZQDQQYZPSNUOG-HKUYNNGSSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235340328 1084399303 /nfs/dbraw/zinc/39/93/03/1084399303.db2.gz ZKMVBFSBRXERRW-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961350491 1085701002 /nfs/dbraw/zinc/70/10/02/1085701002.db2.gz XJNAFPAPLVDGFV-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533777 1086189302 /nfs/dbraw/zinc/18/93/02/1086189302.db2.gz RTQPHBZILSAEBO-HNNXBMFYSA-N 2 0 301.450 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000963564132 1086499369 /nfs/dbraw/zinc/49/93/69/1086499369.db2.gz OXGZKIQMVJHBGW-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273145112 1086867825 /nfs/dbraw/zinc/86/78/25/1086867825.db2.gz UUPOKHNUBQCFIR-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751303 1088405070 /nfs/dbraw/zinc/40/50/70/1088405070.db2.gz XSGBDZMWUSIMPD-VQFNDLOPSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957633747 1088480527 /nfs/dbraw/zinc/48/05/27/1088480527.db2.gz MXSVYVUTIPESFU-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957644956 1088492171 /nfs/dbraw/zinc/49/21/71/1088492171.db2.gz PTROZDAYLMWUMH-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP 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 1088989321 /nfs/dbraw/zinc/98/93/21/1088989321.db2.gz SPRDPVZGJSKGNG-LISAXSMJSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115545120 1089067745 /nfs/dbraw/zinc/06/77/45/1089067745.db2.gz RUILSXBMUFMURI-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544029 1090003459 /nfs/dbraw/zinc/00/34/59/1090003459.db2.gz DZRAGBYKEXDYHC-YUELXQCFSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001084389173 1090286201 /nfs/dbraw/zinc/28/62/01/1090286201.db2.gz VUYLFJBOPSGTDT-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001274344920 1091195290 /nfs/dbraw/zinc/19/52/90/1091195290.db2.gz IJWKRXJXXFVENB-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+](CC)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001493032698 1091244712 /nfs/dbraw/zinc/24/47/12/1091244712.db2.gz FPVVKKXGVOBAIY-UHFFFAOYSA-N 2 0 303.450 2.376 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001273572196 1091929298 /nfs/dbraw/zinc/92/92/98/1091929298.db2.gz VUBVTSSXTAJMQR-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948868355 1091973884 /nfs/dbraw/zinc/97/38/84/1091973884.db2.gz HUNMZILYOQIMFP-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001275681467 1091996008 /nfs/dbraw/zinc/99/60/08/1091996008.db2.gz SLFAUPZHTJDNDP-HNNXBMFYSA-N 2 0 303.450 2.374 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001488699178 1092688175 /nfs/dbraw/zinc/68/81/75/1092688175.db2.gz OEPOIDNRIPXLKI-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001488699172 1092688452 /nfs/dbraw/zinc/68/84/52/1092688452.db2.gz OEPOIDNRIPXLKI-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001489327787 1093021335 /nfs/dbraw/zinc/02/13/35/1093021335.db2.gz HYVMHSBCESIYAM-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490553666 1093415340 /nfs/dbraw/zinc/41/53/40/1093415340.db2.gz YALXPQMBCBHUEE-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001490599574 1093438340 /nfs/dbraw/zinc/43/83/40/1093438340.db2.gz RHQVYGRXJOYRCV-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001278168613 1138812695 /nfs/dbraw/zinc/81/26/95/1138812695.db2.gz FCEMHSIXCDEXFE-SJLPKXTDSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317168934 1139868999 /nfs/dbraw/zinc/86/89/99/1139868999.db2.gz XYKWDVIXAYXDEZ-GOSISDBHSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001318415025 1140321585 /nfs/dbraw/zinc/32/15/85/1140321585.db2.gz HPBFXGVAMPAYDL-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001318483664 1140346549 /nfs/dbraw/zinc/34/65/49/1140346549.db2.gz GPGUFQVRBQJNKB-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001318527997 1140360495 /nfs/dbraw/zinc/36/04/95/1140360495.db2.gz HASPSFCWNZGCKK-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001318652964 1140380753 /nfs/dbraw/zinc/38/07/53/1140380753.db2.gz MOWKCEMFVORRCY-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001278408580 1140710323 /nfs/dbraw/zinc/71/03/23/1140710323.db2.gz FXNDAKQGZRPIQQ-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]CCCCN1CC[NH2+]CC1 ZINC001245973938 1140839657 /nfs/dbraw/zinc/83/96/57/1140839657.db2.gz LRHNIRVOAZSSMT-GOSISDBHSA-N 2 0 313.530 2.373 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]CCCN(C)CCC[NH3+] ZINC001245994263 1140843676 /nfs/dbraw/zinc/84/36/76/1140843676.db2.gz PKYQZTPAPWIVBP-QGZVFWFLSA-N 2 0 301.519 2.358 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278438817 1140878463 /nfs/dbraw/zinc/87/84/63/1140878463.db2.gz XRAXVTPZBYTNII-WBVHZDCISA-N 2 0 305.466 2.018 20 30 DEEDRP C[C@@H]1CC[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246318259 1140883818 /nfs/dbraw/zinc/88/38/18/1140883818.db2.gz ZQWPXTOKYKTVCY-AEFFLSMTSA-N 2 0 312.461 2.275 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001278460350 1141026316 /nfs/dbraw/zinc/02/63/16/1141026316.db2.gz RGWOMFZYWBXEDJ-IEBWSBKVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709186 1141041261 /nfs/dbraw/zinc/04/12/61/1141041261.db2.gz SIQNPVWSSXOJRL-SOLBZPMBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001278495856 1141647318 /nfs/dbraw/zinc/64/73/18/1141647318.db2.gz WLOCNCWWNXEDAQ-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001322843624 1141738800 /nfs/dbraw/zinc/73/88/00/1141738800.db2.gz DRBNVLISQUONJE-OKILXGFUSA-N 2 0 301.862 2.050 20 30 DEEDRP C#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001323721436 1141880073 /nfs/dbraw/zinc/88/00/73/1141880073.db2.gz HRPDBONALXLNAA-SFHVURJKSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001323833457 1141891213 /nfs/dbraw/zinc/89/12/13/1141891213.db2.gz YVDSNRDLFUFFOC-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001324264900 1142043380 /nfs/dbraw/zinc/04/33/80/1142043380.db2.gz ZGSDIFHREJNXCO-AEFFLSMTSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001324397731 1142070294 /nfs/dbraw/zinc/07/02/94/1142070294.db2.gz YFKRLNPKQTWVMF-SJLPKXTDSA-N 2 0 321.509 2.299 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278602206 1142322589 /nfs/dbraw/zinc/32/25/89/1142322589.db2.gz PDZGVFWFOITMIC-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001278632220 1142393072 /nfs/dbraw/zinc/39/30/72/1142393072.db2.gz KNPSJTIRWNJMKK-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001252483203 1142731370 /nfs/dbraw/zinc/73/13/70/1142731370.db2.gz RLVWGWOJPQRXNW-OALUTQOASA-N 2 0 318.461 2.052 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+]CCC[NH+](CCCC)CCCC ZINC001252486936 1142732982 /nfs/dbraw/zinc/73/29/82/1142732982.db2.gz JZEACCQHQPJKMS-KRWDZBQOSA-N 2 0 300.487 2.432 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC001278690357 1142835919 /nfs/dbraw/zinc/83/59/19/1142835919.db2.gz PSENXSLURHWZTK-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254520271 1143181917 /nfs/dbraw/zinc/18/19/17/1143181917.db2.gz XAPMUHYWLHWWKT-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[C@@]1(C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)CCC[NH2+]1 ZINC001341993485 1143763404 /nfs/dbraw/zinc/76/34/04/1143763404.db2.gz UBCNMTUJKFNZKD-OTWHNJEPSA-N 2 0 317.477 2.019 20 30 DEEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256627135 1143858305 /nfs/dbraw/zinc/85/83/05/1143858305.db2.gz ZSGYRZKXJBLRGB-YZYRWKSTSA-N 2 0 320.477 2.438 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001279026731 1143936840 /nfs/dbraw/zinc/93/68/40/1143936840.db2.gz XYINZWOGGSTOOH-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H]1CC ZINC001264069225 1144453455 /nfs/dbraw/zinc/45/34/55/1144453455.db2.gz WQRQRDXWFRZLRI-SCTDSRPQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001264657244 1144586668 /nfs/dbraw/zinc/58/66/68/1144586668.db2.gz SDLWSBUQVWTIEN-MSOLQXFVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001264739211 1144603124 /nfs/dbraw/zinc/60/31/24/1144603124.db2.gz SQHIXLNGSPZLSR-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001265091937 1144641349 /nfs/dbraw/zinc/64/13/49/1144641349.db2.gz MBXBDMIHBZLIAX-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001265333728 1144695152 /nfs/dbraw/zinc/69/51/52/1144695152.db2.gz CIFWVQACFJUGPI-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001265372388 1144699368 /nfs/dbraw/zinc/69/93/68/1144699368.db2.gz ICWSKGGCUQKOCX-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265446754 1144704686 /nfs/dbraw/zinc/70/46/86/1144704686.db2.gz PSOFTDORFCVUNI-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265656107 1144723516 /nfs/dbraw/zinc/72/35/16/1144723516.db2.gz WKPHSAOHMDBCCR-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265940277 1144764272 /nfs/dbraw/zinc/76/42/72/1144764272.db2.gz REENOCWKXQBWAH-ZWKOTPCHSA-N 2 0 315.461 2.446 20 30 DEEDRP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001279589764 1144825225 /nfs/dbraw/zinc/82/52/25/1144825225.db2.gz ZMLOBEWOKXXUMK-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001281457569 1144890986 /nfs/dbraw/zinc/89/09/86/1144890986.db2.gz PLAGTQXNERHZBU-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001281457570 1144890993 /nfs/dbraw/zinc/89/09/93/1144890993.db2.gz PLAGTQXNERHZBU-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001281499748 1144893526 /nfs/dbraw/zinc/89/35/26/1144893526.db2.gz GPGKBEVUTQNUHY-HUUCEWRRSA-N 2 0 316.449 2.450 20 30 DEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001281839880 1144916110 /nfs/dbraw/zinc/91/61/10/1144916110.db2.gz GSEJHOFZRGWLKN-GOSISDBHSA-N 2 0 321.509 2.156 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001281931970 1144920666 /nfs/dbraw/zinc/92/06/66/1144920666.db2.gz HEZYXBVAWFGNBY-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001282625694 1145099899 /nfs/dbraw/zinc/09/98/99/1145099899.db2.gz ZMWKCLZBPLAIBJ-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284001292 1145744996 /nfs/dbraw/zinc/74/49/96/1145744996.db2.gz PVGVKKZSQGVFCM-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284030710 1145759744 /nfs/dbraw/zinc/75/97/44/1145759744.db2.gz HPMCKHKHTFYSPI-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001316633779 1145880845 /nfs/dbraw/zinc/88/08/45/1145880845.db2.gz RTRXZMUSTMXTBQ-BRSBDYLESA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH+]1CCC(C2(NC(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001284846251 1145937230 /nfs/dbraw/zinc/93/72/30/1145937230.db2.gz LIELMGPLWLDEHQ-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001366333572 1147219962 /nfs/dbraw/zinc/21/99/62/1147219962.db2.gz KNVJHCPTHLMRBL-DOMZBBRYSA-N 2 0 319.852 2.046 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001316807428 1147581705 /nfs/dbraw/zinc/58/17/05/1147581705.db2.gz WPYDEZOIXZUMEP-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316881640 1147620412 /nfs/dbraw/zinc/62/04/12/1147620412.db2.gz QNLRNTIAXMNDQV-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316948002 1147637446 /nfs/dbraw/zinc/63/74/46/1147637446.db2.gz QJMQWYZNWYYIRG-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316995267 1147646060 /nfs/dbraw/zinc/64/60/60/1147646060.db2.gz OOANATNAGKNFRS-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 1147653098 /nfs/dbraw/zinc/65/30/98/1147653098.db2.gz GROWYRLRDJJTOR-IGKNDFSCSA-N 2 0 319.493 2.357 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317382706 1147700268 /nfs/dbraw/zinc/70/02/68/1147700268.db2.gz UJHPNIIVJABWAD-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001317398965 1147701810 /nfs/dbraw/zinc/70/18/10/1147701810.db2.gz SPVXGEFATYTTGJ-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001326379436 1148088693 /nfs/dbraw/zinc/08/86/93/1148088693.db2.gz HCUVUGBJOWHITD-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+](C)C ZINC000291659147 404467514 /nfs/dbraw/zinc/46/75/14/404467514.db2.gz DURXUEUTWXMART-AWEZNQCLSA-N 2 0 311.433 2.246 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001421828719 1172022966 /nfs/dbraw/zinc/02/29/66/1172022966.db2.gz PEBWVRMSQPADPF-CQSZACIVSA-N 2 0 313.873 2.194 20 30 DEEDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000181467643 199302105 /nfs/dbraw/zinc/30/21/05/199302105.db2.gz YHJBMTWAYSGLMT-HNNXBMFYSA-N 2 0 300.450 2.235 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000192787187 282697475 /nfs/dbraw/zinc/69/74/75/282697475.db2.gz MDJKLTUUSMKLQK-DOTOQJQBSA-N 2 0 304.482 2.217 20 30 DEEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])NC2CC2)C1 ZINC000066243172 354705600 /nfs/dbraw/zinc/70/56/00/354705600.db2.gz RYZRQBVNQFGBEU-CQSZACIVSA-N 2 0 300.450 2.485 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083033525 355462568 /nfs/dbraw/zinc/46/25/68/355462568.db2.gz YWGADFHHKXBXFE-GDBMZVCRSA-N 2 0 316.449 2.146 20 30 DEEDRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180184325 356044362 /nfs/dbraw/zinc/04/43/62/356044362.db2.gz RKFJIWGSGASZAO-MRXNPFEDSA-N 2 0 323.444 2.390 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602588003 360446550 /nfs/dbraw/zinc/44/65/50/360446550.db2.gz KZKSYJGUMLQPSR-JKSUJKDBSA-N 2 0 311.470 2.032 20 30 DEEDRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(C#N)c1 ZINC000602564106 360434358 /nfs/dbraw/zinc/43/43/58/360434358.db2.gz DRSBLGLZTFNPCO-AWEZNQCLSA-N 2 0 301.434 2.444 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000606371265 361000588 /nfs/dbraw/zinc/00/05/88/361000588.db2.gz FZSGXOJGHJRDME-IAGOWNOFSA-N 2 0 307.482 2.286 20 30 DEEDRP C=CC[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680484993 542012061 /nfs/dbraw/zinc/01/20/61/542012061.db2.gz UCWBPUVPPLURLN-QGZVFWFLSA-N 2 0 304.434 2.188 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862616 781966518 /nfs/dbraw/zinc/96/65/18/781966518.db2.gz JTGMYHWNZKXNEA-QAPCUYQASA-N 2 0 315.461 2.169 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000458319199 248261495 /nfs/dbraw/zinc/26/14/95/248261495.db2.gz KREGFQAPMGAWAR-KRWDZBQOSA-N 2 0 322.497 2.151 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327450055 1148557706 /nfs/dbraw/zinc/55/77/06/1148557706.db2.gz WFGVLCZVJIRYMB-INIZCTEOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000078489079 401853099 /nfs/dbraw/zinc/85/30/99/401853099.db2.gz SDPVZVIDVCOXFJ-UHFFFAOYSA-N 2 0 315.461 2.133 20 30 DEEDRP CCOc1cccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000135114396 401927263 /nfs/dbraw/zinc/92/72/63/401927263.db2.gz JXQBUNSAYRJHHL-INIZCTEOSA-N 2 0 318.465 2.016 20 30 DEEDRP C[NH+]=C(NCc1ccc(C)s1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158470817 402306643 /nfs/dbraw/zinc/30/66/43/402306643.db2.gz AVUVUPNYPYHIBM-WFASDCNBSA-N 2 0 308.495 2.450 20 30 DEEDRP C=CCOc1cccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185878490 402385244 /nfs/dbraw/zinc/38/52/44/402385244.db2.gz JGQKWIWULCIFJE-QGZVFWFLSA-N 2 0 317.477 2.367 20 30 DEEDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000274673011 403077023 /nfs/dbraw/zinc/07/70/23/403077023.db2.gz YJRSMMYMUZGOBU-LSDHHAIUSA-N 2 0 318.440 2.374 20 30 DEEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289351416 403922741 /nfs/dbraw/zinc/92/27/41/403922741.db2.gz GFEGZSNATUWUPY-INIZCTEOSA-N 2 0 302.466 2.435 20 30 DEEDRP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332448 404060480 /nfs/dbraw/zinc/06/04/80/404060480.db2.gz UTTQMZAMWUOWMD-CEXWTWQISA-N 2 0 300.446 2.377 20 30 DEEDRP C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370004567 404301352 /nfs/dbraw/zinc/30/13/52/404301352.db2.gz FJPCAXUHIXQERV-RDJZCZTQSA-N 2 0 322.497 2.151 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358797777 404776013 /nfs/dbraw/zinc/77/60/13/404776013.db2.gz XTXQLUZFVYDXRN-HOTGVXAUSA-N 2 0 322.497 2.199 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])C(C)C ZINC000417061750 405023079 /nfs/dbraw/zinc/02/30/79/405023079.db2.gz LETMOPGISFWKNZ-IRXDYDNUSA-N 2 0 322.497 2.208 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000424079579 404998508 /nfs/dbraw/zinc/99/85/08/404998508.db2.gz RHVVLSZJDLTHHD-MRXNPFEDSA-N 2 0 320.481 2.313 20 30 DEEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430634402 405474173 /nfs/dbraw/zinc/47/41/73/405474173.db2.gz RPPXLLJNUYSVGL-CQSZACIVSA-N 2 0 321.490 2.322 20 30 DEEDRP C=CC[C@H](CO)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423018528 405695614 /nfs/dbraw/zinc/69/56/14/405695614.db2.gz RJPQACGURVOKOV-QILLFSRXSA-N 2 0 302.418 2.017 20 30 DEEDRP C=CCC(CC=C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986681 405800275 /nfs/dbraw/zinc/80/02/75/405800275.db2.gz XPRTXDMALRCREO-UHFFFAOYSA-N 2 0 300.406 2.198 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000193059017 225150172 /nfs/dbraw/zinc/15/01/72/225150172.db2.gz ZHHXUHYIFQROEB-GDBMZVCRSA-N 2 0 302.422 2.194 20 30 DEEDRP C[NH+](C)[C@@]1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCSC1 ZINC000262293075 225267523 /nfs/dbraw/zinc/26/75/23/225267523.db2.gz OBXKTPSOHPFUNC-CQSZACIVSA-N 2 0 314.405 2.129 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCC2CC[NH+](Cc3ccccc3Cl)CC2)N1 ZINC000262477796 225272756 /nfs/dbraw/zinc/27/27/56/225272756.db2.gz CKQNUEGARDAFGY-CYBMUJFWSA-N 2 0 320.868 2.489 20 30 DEEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)N1 ZINC000262680327 225281922 /nfs/dbraw/zinc/28/19/22/225281922.db2.gz VTJHDCQHYCIUJY-GMXABZIVSA-N 2 0 324.831 2.409 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000521992982 269996144 /nfs/dbraw/zinc/99/61/44/269996144.db2.gz IJQQDLBNODCPGE-QGZVFWFLSA-N 2 0 312.461 2.112 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417538593 276862473 /nfs/dbraw/zinc/86/24/73/276862473.db2.gz NKOZTLSJWPXQLX-MRXNPFEDSA-N 2 0 322.497 2.104 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)C(C)C ZINC000291990218 277847671 /nfs/dbraw/zinc/84/76/71/277847671.db2.gz BBONVRPXOUZUNJ-IRXDYDNUSA-N 2 0 307.482 2.333 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001479996995 1151315246 /nfs/dbraw/zinc/31/52/46/1151315246.db2.gz ZCXZOIIPEDQZAN-UHFFFAOYSA-N 2 0 307.482 2.053 20 30 DEEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)N1 ZINC000261556222 341360409 /nfs/dbraw/zinc/36/04/09/341360409.db2.gz VSRMQJHQOZAURP-WBVHZDCISA-N 2 0 300.450 2.226 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001376803470 1159806423 /nfs/dbraw/zinc/80/64/23/1159806423.db2.gz SLGPQLAXDDGTLV-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176154430 500572264 /nfs/dbraw/zinc/57/22/64/500572264.db2.gz ZMPJOCAMECKZRL-DLBZAZTESA-N 2 0 322.497 2.199 20 30 DEEDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1C#N ZINC000337267772 522745647 /nfs/dbraw/zinc/74/56/47/522745647.db2.gz JKJLRXLLJYOCOL-UHFFFAOYSA-N 2 0 314.433 2.305 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001378930301 1152494897 /nfs/dbraw/zinc/49/48/97/1152494897.db2.gz WJOGQRZEQUFGJD-ZFWWWQNUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423371231 526421084 /nfs/dbraw/zinc/42/10/84/526421084.db2.gz FFORZRWCQWZZNV-KRWDZBQOSA-N 2 0 315.461 2.479 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358794904 526433626 /nfs/dbraw/zinc/43/36/26/526433626.db2.gz IZTYEHGQGOBCMA-HOTGVXAUSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CCOc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000267454567 526930272 /nfs/dbraw/zinc/93/02/72/526930272.db2.gz SNEJEYZAVSGPOY-MRXNPFEDSA-N 2 0 316.449 2.140 20 30 DEEDRP CCOCc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000264127012 529034542 /nfs/dbraw/zinc/03/45/42/529034542.db2.gz WPZJRWCUIRMYLS-KRWDZBQOSA-N 2 0 318.465 2.112 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000193301798 529073889 /nfs/dbraw/zinc/07/38/89/529073889.db2.gz UDTUKYVISGJCPE-OWCLPIDISA-N 2 0 304.413 2.070 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCc1nc(C)cs1 ZINC000264248213 529100186 /nfs/dbraw/zinc/10/01/86/529100186.db2.gz GNOKRFGDMSSFPC-AWEZNQCLSA-N 2 0 323.510 2.163 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001330599855 1149208308 /nfs/dbraw/zinc/20/83/08/1149208308.db2.gz SUJXPNPYPWITJT-JOCBIADPSA-N 2 0 319.493 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCC1 ZINC001380859537 1152867263 /nfs/dbraw/zinc/86/72/63/1152867263.db2.gz PRGKSBAHUJKRCF-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP C[C@H](C#N)OCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310004435 625387517 /nfs/dbraw/zinc/38/75/17/625387517.db2.gz GXDMOJQLBHOGJO-NZSAHSFTSA-N 2 0 313.445 2.369 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025467704 625461801 /nfs/dbraw/zinc/46/18/01/625461801.db2.gz CIXNRMFBLGKDIT-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484801 625476591 /nfs/dbraw/zinc/47/65/91/625476591.db2.gz JNYUMRDGSFHKLW-GJZGRUSLSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001026610865 625558892 /nfs/dbraw/zinc/55/88/92/625558892.db2.gz WNRDEBNKZMCMKJ-JCYILVPMSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[C@@H]1CCN1C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000890552601 622655523 /nfs/dbraw/zinc/65/55/23/622655523.db2.gz MRYGKXNPVSJJMM-GOSISDBHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970926625 623796220 /nfs/dbraw/zinc/79/62/20/623796220.db2.gz ADKCYIQFQDYVFA-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681673 623951812 /nfs/dbraw/zinc/95/18/12/623951812.db2.gz IOHPJUUFHDBOCH-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001022721561 624872345 /nfs/dbraw/zinc/87/23/45/624872345.db2.gz VGEMGZMWDJTJJS-HDICACEKSA-N 2 0 315.461 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023130412 625164901 /nfs/dbraw/zinc/16/49/01/625164901.db2.gz MURGLDICLKQMGW-IYBDPMFKSA-N 2 0 301.434 2.175 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372792 625241541 /nfs/dbraw/zinc/24/15/41/625241541.db2.gz XZQAUFMTXGJOHC-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446816 625271464 /nfs/dbraw/zinc/27/14/64/625271464.db2.gz YQUFRWFQNUAGOD-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001024513905 625831159 /nfs/dbraw/zinc/83/11/59/625831159.db2.gz ULMXRHZWULUEIO-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024523374 625837867 /nfs/dbraw/zinc/83/78/67/625837867.db2.gz PVLDNGCUQHQYJP-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999400886 634579554 /nfs/dbraw/zinc/57/95/54/634579554.db2.gz MKCNSQSZPMICST-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000999507501 634613445 /nfs/dbraw/zinc/61/34/45/634613445.db2.gz ZZUAOFZYJWKISI-KLAILNCOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159451 634771172 /nfs/dbraw/zinc/77/11/72/634771172.db2.gz AJZRAXSNSUGFJF-NVXWUHKLSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC000995957844 633148387 /nfs/dbraw/zinc/14/83/87/633148387.db2.gz DBIIPBINTKTLSI-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+]CC#Cc2ccccc2)ccn1 ZINC000893393050 633242017 /nfs/dbraw/zinc/24/20/17/633242017.db2.gz NPOZEEMOUHNJRB-UHFFFAOYSA-N 2 0 309.413 2.163 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974771922 633296347 /nfs/dbraw/zinc/29/63/47/633296347.db2.gz ZOIMRDGUHLYKQI-INIZCTEOSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996669533 633343756 /nfs/dbraw/zinc/34/37/56/633343756.db2.gz GVZZLMQXDYRTBR-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001015972264 633551212 /nfs/dbraw/zinc/55/12/12/633551212.db2.gz IMNONKAADOKZCO-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997083490 633568613 /nfs/dbraw/zinc/56/86/13/633568613.db2.gz KZUOTJVRURHDPE-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997132543 633618302 /nfs/dbraw/zinc/61/83/02/633618302.db2.gz OHIPRHBISOGUIX-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997288706 633696960 /nfs/dbraw/zinc/69/69/60/633696960.db2.gz CVOJPYZBGIGAOG-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001009633080 633765713 /nfs/dbraw/zinc/76/57/13/633765713.db2.gz GGJUAMLBMDBBPG-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977653294 634082764 /nfs/dbraw/zinc/08/27/64/634082764.db2.gz IIABYVNAMXTZDM-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886011 634874013 /nfs/dbraw/zinc/87/40/13/634874013.db2.gz MQKDOWWEURKZMB-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027920363 634967251 /nfs/dbraw/zinc/96/72/51/634967251.db2.gz HYGWZTIPVJUREH-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000980475431 635015122 /nfs/dbraw/zinc/01/51/22/635015122.db2.gz FYSQOKKGJOLHLM-GJZGRUSLSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001000593522 635234528 /nfs/dbraw/zinc/23/45/28/635234528.db2.gz NZGFQTAUNNLYIK-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000981180620 635347160 /nfs/dbraw/zinc/34/71/60/635347160.db2.gz DUNDERTVMGJXSD-CABCVRRESA-N 2 0 312.417 2.459 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981311798 635431409 /nfs/dbraw/zinc/43/14/09/635431409.db2.gz PEKNPPUVYBGCID-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981958522 635764840 /nfs/dbraw/zinc/76/48/40/635764840.db2.gz MFLHVIYLQNVWCK-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001002955311 635859985 /nfs/dbraw/zinc/85/99/85/635859985.db2.gz KITFFVPPDNWCAH-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001003135223 635912858 /nfs/dbraw/zinc/91/28/58/635912858.db2.gz RVCJPQOWAUDIDW-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547477 636484782 /nfs/dbraw/zinc/48/47/82/636484782.db2.gz NCYICDKDXFAEIX-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP 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 636495971 /nfs/dbraw/zinc/49/59/71/636495971.db2.gz PSTVTIFMMPLJOP-AMBYYYRHSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004615913 636502082 /nfs/dbraw/zinc/50/20/82/636502082.db2.gz JMVHDOUYXHWFRT-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946751988 636599109 /nfs/dbraw/zinc/59/91/09/636599109.db2.gz NHGMPTRDOHENMI-HDICACEKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005586056 636789385 /nfs/dbraw/zinc/78/93/85/636789385.db2.gz UKBOUWDRVJLTIC-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000923413231 637166926 /nfs/dbraw/zinc/16/69/26/637166926.db2.gz FAQPFEJXLBBZOY-WMZOPIPTSA-N 2 0 301.434 2.289 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000985480268 639455721 /nfs/dbraw/zinc/45/57/21/639455721.db2.gz DUYVHSCBIOUBNC-HNNXBMFYSA-N 2 0 315.889 2.248 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000985695473 639588355 /nfs/dbraw/zinc/58/83/55/639588355.db2.gz WBAABVYRKLATBD-IAGOWNOFSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000987252271 640143145 /nfs/dbraw/zinc/14/31/45/640143145.db2.gz DSANPSOUIBMUBU-GJZGRUSLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000764578291 640657471 /nfs/dbraw/zinc/65/74/71/640657471.db2.gz RIMNCYFCHVUINL-KRWDZBQOSA-N 2 0 315.461 2.227 20 30 DEEDRP C[NH+]1CCN(c2ccc(C=[NH+]O[C@H]3CCCCO3)cc2)CC1 ZINC000771557592 641525290 /nfs/dbraw/zinc/52/52/90/641525290.db2.gz GCHUEAKHRBDOSH-KRWDZBQOSA-N 2 0 303.406 2.316 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000899961516 642220560 /nfs/dbraw/zinc/22/05/60/642220560.db2.gz RFGITZOSDRQFFT-HNNXBMFYSA-N 2 0 305.422 2.041 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900605398 642419452 /nfs/dbraw/zinc/41/94/52/642419452.db2.gz KLAGTWPMWBKDNG-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000900686356 642444424 /nfs/dbraw/zinc/44/44/24/642444424.db2.gz HSYZJZHGUBHFMW-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000901026641 642547966 /nfs/dbraw/zinc/54/79/66/642547966.db2.gz VFFCYQYNNXIQFZ-AEFFLSMTSA-N 2 0 315.461 2.274 20 30 DEEDRP CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000903790957 643456093 /nfs/dbraw/zinc/45/60/93/643456093.db2.gz JTKKXEACJUEZDL-QGZVFWFLSA-N 2 0 301.434 2.289 20 30 DEEDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000903784773 643461522 /nfs/dbraw/zinc/46/15/22/643461522.db2.gz SAQUCKKWZQROLY-DAYGRLMNSA-N 2 0 319.449 2.063 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907282706 644497862 /nfs/dbraw/zinc/49/78/62/644497862.db2.gz PPOBMTBPFQPYSF-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000992715131 647194310 /nfs/dbraw/zinc/19/43/10/647194310.db2.gz RRRMNOJMTPJUQF-CGTJXYLNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387493 647287803 /nfs/dbraw/zinc/28/78/03/647287803.db2.gz LVRRDYBOPCIVPO-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819184569 647602671 /nfs/dbraw/zinc/60/26/71/647602671.db2.gz FEHHFRINISWHKT-VJFUWPCTSA-N 2 0 301.434 2.302 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993322221 647603199 /nfs/dbraw/zinc/60/31/99/647603199.db2.gz CFZWZTYMDTXQNN-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993322214 647603397 /nfs/dbraw/zinc/60/33/97/647603397.db2.gz CFZWZTYMDTXQNN-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993534129 647692080 /nfs/dbraw/zinc/69/20/80/647692080.db2.gz SBHHCELQBKAZLK-YOEHRIQHSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993805987 647747380 /nfs/dbraw/zinc/74/73/80/647747380.db2.gz NXQMILFXXUDXDL-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994162355 647797228 /nfs/dbraw/zinc/79/72/28/647797228.db2.gz ACJRUILHMYKPTF-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863647 648957372 /nfs/dbraw/zinc/95/73/72/648957372.db2.gz FREQQDRJJRVJOR-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941164858 649011360 /nfs/dbraw/zinc/01/13/60/649011360.db2.gz XZGZOHXKPDOKLH-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372287 649096979 /nfs/dbraw/zinc/09/69/79/649096979.db2.gz BHNIIZPLDFJNEN-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257192 649191973 /nfs/dbraw/zinc/19/19/73/649191973.db2.gz KYQWVCIRAVEAFQ-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942287601 649200716 /nfs/dbraw/zinc/20/07/16/649200716.db2.gz LPSDFCWXRMAKLE-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001390084909 1155522600 /nfs/dbraw/zinc/52/26/00/1155522600.db2.gz RFSHZZSMFSLWQT-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CCOCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000851933215 652286063 /nfs/dbraw/zinc/28/60/63/652286063.db2.gz OXDATOBYPQFMEF-DZFIZOCASA-N 2 0 300.446 2.382 20 30 DEEDRP C#CCOc1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000111386602 652561932 /nfs/dbraw/zinc/56/19/32/652561932.db2.gz KBCOOYDNLBUTCR-GOSISDBHSA-N 2 0 316.445 2.025 20 30 DEEDRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304743646 685258809 /nfs/dbraw/zinc/25/88/09/685258809.db2.gz DGEIXLPZECPJDH-HNNXBMFYSA-N 2 0 304.438 2.146 20 30 DEEDRP CCCCCCCCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304745467 685259183 /nfs/dbraw/zinc/25/91/83/685259183.db2.gz FDIDMLWTXJAJHG-UHFFFAOYSA-N 2 0 312.502 2.362 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1C ZINC000304754371 685259970 /nfs/dbraw/zinc/25/99/70/685259970.db2.gz LVIJMMBIMGPTDV-HYVNUMGLSA-N 2 0 300.450 2.240 20 30 DEEDRP C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2OCC[NH+](C)C)C1 ZINC000104180686 684059251 /nfs/dbraw/zinc/05/92/51/684059251.db2.gz JMTVUWCCGCBFIX-HNNXBMFYSA-N 2 0 318.465 2.174 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199389 693880573 /nfs/dbraw/zinc/88/05/73/693880573.db2.gz VQZILXFAGXLUSN-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001054863709 694061565 /nfs/dbraw/zinc/06/15/65/694061565.db2.gz VXESHKOJUQOOGR-ABAIWWIYSA-N 2 0 318.808 2.137 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858316 687442615 /nfs/dbraw/zinc/44/26/15/687442615.db2.gz NKKMAYDRCAUMRX-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001019466234 688361801 /nfs/dbraw/zinc/36/18/01/688361801.db2.gz SDVBNFYHOOSPOY-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031706850 688983895 /nfs/dbraw/zinc/98/38/95/688983895.db2.gz HSBKSFIZWYTAAI-UHFFFAOYSA-N 2 0 321.490 2.438 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730162 688987254 /nfs/dbraw/zinc/98/72/54/688987254.db2.gz GFRABBXITPROGF-KRWDZBQOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032043138 689048422 /nfs/dbraw/zinc/04/84/22/689048422.db2.gz VWTMJTXTFHOVRD-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC[NH2+]1 ZINC000873221447 689186794 /nfs/dbraw/zinc/18/67/94/689186794.db2.gz KMHQSPBJEPYFLQ-HUUCEWRRSA-N 2 0 316.424 2.207 20 30 DEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873291181 689203724 /nfs/dbraw/zinc/20/37/24/689203724.db2.gz DQVHFKCMKGMCLL-SJLPKXTDSA-N 2 0 311.429 2.294 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856719 689640243 /nfs/dbraw/zinc/64/02/43/689640243.db2.gz VYNAYYOAMGYKDU-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331940 689812696 /nfs/dbraw/zinc/81/26/96/689812696.db2.gz WBVSBYZHJGVPKX-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034370958 689826060 /nfs/dbraw/zinc/82/60/60/689826060.db2.gz PDZIHVOPOGIJMK-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034399832 689836355 /nfs/dbraw/zinc/83/63/55/689836355.db2.gz VDQFVBNZODHPGS-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000876523698 689846073 /nfs/dbraw/zinc/84/60/73/689846073.db2.gz BIWSFXQBBXHSNU-CABCVRRESA-N 2 0 309.841 2.396 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034436710 689850046 /nfs/dbraw/zinc/85/00/46/689850046.db2.gz BETULQFOZQIIIK-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034439265 689851086 /nfs/dbraw/zinc/85/10/86/689851086.db2.gz SSRAQDNSZFCMRK-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034538512 689891330 /nfs/dbraw/zinc/89/13/30/689891330.db2.gz NZMCNYVMJVUGMW-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001034754279 689941201 /nfs/dbraw/zinc/94/12/01/689941201.db2.gz YKZFFYRJLLRFEP-QAETUUGQSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001034777047 689946040 /nfs/dbraw/zinc/94/60/40/689946040.db2.gz NVSMFIJFFCVSBA-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035197992 690057672 /nfs/dbraw/zinc/05/76/72/690057672.db2.gz ZBDBTQYESDLORD-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257284 690075772 /nfs/dbraw/zinc/07/57/72/690075772.db2.gz VUPIAQWMGSLAGB-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035719568 690160363 /nfs/dbraw/zinc/16/03/63/690160363.db2.gz BYWVSWBUYKGZPZ-QGZVFWFLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCn1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)nn1 ZINC000877683676 690189826 /nfs/dbraw/zinc/18/98/26/690189826.db2.gz HIIJQSIHOWFJQP-UHFFFAOYSA-N 2 0 303.454 2.162 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001036050114 690246928 /nfs/dbraw/zinc/24/69/28/690246928.db2.gz VIFYYCNKMDZNBM-HIFRSBDPSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001036055658 690247801 /nfs/dbraw/zinc/24/78/01/690247801.db2.gz QQZCDBMFKSOWTC-TZMCWYRMSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001036220161 690294403 /nfs/dbraw/zinc/29/44/03/690294403.db2.gz VFCFZSYKNAXHSC-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773322 690469770 /nfs/dbraw/zinc/46/97/70/690469770.db2.gz LEFTZPRAMGNXAK-YJBOKZPZSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794616 690476648 /nfs/dbraw/zinc/47/66/48/690476648.db2.gz YDONOKGFCMMHTI-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039138264 691030525 /nfs/dbraw/zinc/03/05/25/691030525.db2.gz XBIKXAUNSILMME-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153631 691033856 /nfs/dbraw/zinc/03/38/56/691033856.db2.gz DHSGQBACNLNOFT-QZTJIDSGSA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159452 691035487 /nfs/dbraw/zinc/03/54/87/691035487.db2.gz OHJFSZMROBODFH-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163330 691037056 /nfs/dbraw/zinc/03/70/56/691037056.db2.gz AKIUPDXFIUAVFH-AEFFLSMTSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173088 691039305 /nfs/dbraw/zinc/03/93/05/691039305.db2.gz NGGRZUQKWCMESR-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039239648 691064672 /nfs/dbraw/zinc/06/46/72/691064672.db2.gz UGUJNJGEXCJVCL-DOTOQJQBSA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001039379930 691092923 /nfs/dbraw/zinc/09/29/23/691092923.db2.gz CQQKHSMYIXSUPQ-VSZNYVQBSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040243822 691219133 /nfs/dbraw/zinc/21/91/33/691219133.db2.gz CBLJQPNKDVAILB-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430816 691246328 /nfs/dbraw/zinc/24/63/28/691246328.db2.gz CRGULKGAGYWRFI-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040836583 691291705 /nfs/dbraw/zinc/29/17/05/691291705.db2.gz TUQPWKGOWGRBLE-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040849100 691292774 /nfs/dbraw/zinc/29/27/74/691292774.db2.gz OQLHVMINYLCXLY-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041429451 691374165 /nfs/dbraw/zinc/37/41/65/691374165.db2.gz VPPUBPUJCCHNEJ-IBGZPJMESA-N 2 0 324.428 2.367 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446302 691376513 /nfs/dbraw/zinc/37/65/13/691376513.db2.gz SECXZTPJNMRKDW-GOSISDBHSA-N 2 0 310.401 2.058 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723560 691417169 /nfs/dbraw/zinc/41/71/69/691417169.db2.gz IVSFNQNVZCNQDC-PKOBYXMFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041724585 691417861 /nfs/dbraw/zinc/41/78/61/691417861.db2.gz BHTHEHNFPHVCKJ-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000883171296 691447049 /nfs/dbraw/zinc/44/70/49/691447049.db2.gz URXHFYUXFZUEEX-ZWKOTPCHSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CCCO1 ZINC000883186268 691452216 /nfs/dbraw/zinc/45/22/16/691452216.db2.gz OJHKFOCOQUUIEZ-ZWKOTPCHSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042286540 691557575 /nfs/dbraw/zinc/55/75/75/691557575.db2.gz ARJQADBFYOEFLQ-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045984434 692068852 /nfs/dbraw/zinc/06/88/52/692068852.db2.gz AIACLHCWYTYTEI-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000887136478 692289583 /nfs/dbraw/zinc/28/95/83/692289583.db2.gz UZKDEVFBNYVBDB-DOTOQJQBSA-N 2 0 314.433 2.037 20 30 DEEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582713 692653182 /nfs/dbraw/zinc/65/31/82/692653182.db2.gz VKCVEOKYMJGOSK-BJWYYQGGSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637941 692948459 /nfs/dbraw/zinc/94/84/59/692948459.db2.gz JCHHKORSLYXAHX-HZPDHXFCSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637934 692948554 /nfs/dbraw/zinc/94/85/54/692948554.db2.gz JCHHKORSLYXAHX-HOTGVXAUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050130088 693116027 /nfs/dbraw/zinc/11/60/27/693116027.db2.gz LHGNUEOCRNSQCU-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050157118 693124302 /nfs/dbraw/zinc/12/43/02/693124302.db2.gz ZKBYALNFAAXHCB-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C[C@H]1[NH2+]CCC[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000925703308 693327593 /nfs/dbraw/zinc/32/75/93/693327593.db2.gz SVKRWJGDGXRMHP-DNVCBOLYSA-N 2 0 312.461 2.253 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763284 693613992 /nfs/dbraw/zinc/61/39/92/693613992.db2.gz GCQAZEOIHYOIKM-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764416 693614534 /nfs/dbraw/zinc/61/45/34/693614534.db2.gz OUTYQYPMJJLDMH-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764438 693614975 /nfs/dbraw/zinc/61/49/75/693614975.db2.gz PIBCIUZOUPKMHI-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001332217566 1149836449 /nfs/dbraw/zinc/83/64/49/1149836449.db2.gz IHRRNEIQDYLNKI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001332859794 1149905453 /nfs/dbraw/zinc/90/54/53/1149905453.db2.gz KCKPMFWDYUAQGJ-IAGOWNOFSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001350741022 1151392961 /nfs/dbraw/zinc/39/29/61/1151392961.db2.gz LLVNSWSGEXWESW-UHFFFAOYSA-N 2 0 309.498 2.321 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001357620505 1152318831 /nfs/dbraw/zinc/31/88/31/1152318831.db2.gz VERCKVLPTMLRLI-GFCCVEGCSA-N 2 0 308.451 2.232 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001380172380 1152761978 /nfs/dbraw/zinc/76/19/78/1152761978.db2.gz QBKGUSXAYKUGBM-UHFFFAOYSA-N 2 0 321.852 2.353 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001380861758 1152868242 /nfs/dbraw/zinc/86/82/42/1152868242.db2.gz NYWMWIJUTZCZDH-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001568491588 1158262888 /nfs/dbraw/zinc/26/28/88/1158262888.db2.gz SETSXXBDHXETEQ-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001376601455 1159591790 /nfs/dbraw/zinc/59/17/90/1159591790.db2.gz IXVTWIAGPJTKNE-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001406706727 1164804602 /nfs/dbraw/zinc/80/46/02/1164804602.db2.gz BIAQTZUKACVDIW-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001406721612 1164807745 /nfs/dbraw/zinc/80/77/45/1164807745.db2.gz SRGIBBCSBCURAB-HUUCEWRRSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001419922978 1168937216 /nfs/dbraw/zinc/93/72/16/1168937216.db2.gz QUFUHTRXLPZDAW-OAHLLOKOSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001422551603 1172700626 /nfs/dbraw/zinc/70/06/26/1172700626.db2.gz YLFUCEOSZVDEPT-IUODEOHRSA-N 2 0 319.852 2.046 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001438816679 1180821573 /nfs/dbraw/zinc/82/15/73/1180821573.db2.gz VTRHVTJNHIJCJE-AWEZNQCLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001444883653 1183620344 /nfs/dbraw/zinc/62/03/44/1183620344.db2.gz SOUOEWLCTZXQPH-AWEZNQCLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001122210693 782477883 /nfs/dbraw/zinc/47/78/83/782477883.db2.gz OXPAWYPIVFVLFO-NVXWUHKLSA-N 2 0 307.482 2.298 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248501 782570337 /nfs/dbraw/zinc/57/03/37/782570337.db2.gz RRBVPVBLSNJMKV-KZNAEPCWSA-N 2 0 321.509 2.225 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559685 783205356 /nfs/dbraw/zinc/20/53/56/783205356.db2.gz RAWXBVCVSZWLFK-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385362 776978307 /nfs/dbraw/zinc/97/83/07/776978307.db2.gz AEFAHBCPGBXNSW-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104319055 777042094 /nfs/dbraw/zinc/04/20/94/777042094.db2.gz ACZQQPCSUGKXON-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519354 777665015 /nfs/dbraw/zinc/66/50/15/777665015.db2.gz GOUPHIAZRKRABV-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932814 778260406 /nfs/dbraw/zinc/26/04/06/778260406.db2.gz PMWQLMDJXSXXLW-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000981382080 778701987 /nfs/dbraw/zinc/70/19/87/778701987.db2.gz MDXZUIWRHJHZAH-QZTJIDSGSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729692 778789583 /nfs/dbraw/zinc/78/95/83/778789583.db2.gz GNPZGILYPAFXQF-ZWKOTPCHSA-N 2 0 315.461 2.097 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726803 779427011 /nfs/dbraw/zinc/42/70/11/779427011.db2.gz SRHGKHLITFVPQM-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001088367151 780028794 /nfs/dbraw/zinc/02/87/94/780028794.db2.gz CNUYTDSVDBEVIN-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088617005 780624377 /nfs/dbraw/zinc/62/43/77/780624377.db2.gz UZUMWFLNDAPZRV-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692932 780827534 /nfs/dbraw/zinc/82/75/34/780827534.db2.gz DSVXJJJLNPBRPB-IXDOHACOSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664853 783335939 /nfs/dbraw/zinc/33/59/39/783335939.db2.gz OVICEQSFLIKQRJ-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948365554 783440845 /nfs/dbraw/zinc/44/08/45/783440845.db2.gz QHPSZRJTFBKSLF-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594583 783517563 /nfs/dbraw/zinc/51/75/63/783517563.db2.gz OYJDNVRAJUXQID-KRWDZBQOSA-N 2 0 324.428 2.284 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621058 783533516 /nfs/dbraw/zinc/53/35/16/783533516.db2.gz LGUTZUOIPGVSHQ-INIZCTEOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967709216 784098696 /nfs/dbraw/zinc/09/86/96/784098696.db2.gz XLRTXYWQDJOUKK-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085918422 784212014 /nfs/dbraw/zinc/21/20/14/784212014.db2.gz CMINIVPTMDUKAN-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968497964 784426507 /nfs/dbraw/zinc/42/65/07/784426507.db2.gz UILZXIHMKMQPNN-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086225574 784501381 /nfs/dbraw/zinc/50/13/81/784501381.db2.gz ABHULLVLHSJBRX-MAEOIBBWSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000968676442 784532913 /nfs/dbraw/zinc/53/29/13/784532913.db2.gz KIVNUOSHDOANAT-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC000968731259 784562220 /nfs/dbraw/zinc/56/22/20/784562220.db2.gz ORNZXLIQFNFYPZ-UONOGXRCSA-N 2 0 324.856 2.340 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086366999 784625648 /nfs/dbraw/zinc/62/56/48/784625648.db2.gz UDSGGHJMOVGMJA-BRWVUGGUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007724408 784983928 /nfs/dbraw/zinc/98/39/28/784983928.db2.gz VKAOLDASOJVOJV-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001091318881 791087955 /nfs/dbraw/zinc/08/79/55/791087955.db2.gz UBLUNQMGSMGFON-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008746755 785293039 /nfs/dbraw/zinc/29/30/39/785293039.db2.gz JNVDAMGWQBMJGQ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009629591 785494977 /nfs/dbraw/zinc/49/49/77/785494977.db2.gz SPMDCCGFDKBKBA-INIZCTEOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784702 785538412 /nfs/dbraw/zinc/53/84/12/785538412.db2.gz YHFMBGIFIODKLL-KKUMJFAQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828555 785556767 /nfs/dbraw/zinc/55/67/67/785556767.db2.gz SPJZNHVTIBFZPD-KSZLIROESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086530053 785660460 /nfs/dbraw/zinc/66/04/60/785660460.db2.gz DYDOWQHUMLSSPM-SAABIXHNSA-N 2 0 319.493 2.169 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548550 786157330 /nfs/dbraw/zinc/15/73/30/786157330.db2.gz FSLSGZPTLANPNI-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086558508 786220487 /nfs/dbraw/zinc/22/04/87/786220487.db2.gz VZCXLPSWTKDAAF-KOMQPUFPSA-N 2 0 301.434 2.032 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001113521971 786656127 /nfs/dbraw/zinc/65/61/27/786656127.db2.gz PJJKZIMDORANNY-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029658 787453658 /nfs/dbraw/zinc/45/36/58/787453658.db2.gz LKHJBQVOCKTOJM-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790167 787734670 /nfs/dbraw/zinc/73/46/70/787734670.db2.gz HRLICDVRYJFNTO-KRWDZBQOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132937251 788231058 /nfs/dbraw/zinc/23/10/58/788231058.db2.gz IZMFQMRKKBNELJ-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132949993 788236649 /nfs/dbraw/zinc/23/66/49/788236649.db2.gz IVERFUASMASNGB-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132974436 788244887 /nfs/dbraw/zinc/24/48/87/788244887.db2.gz ZJBPJCMDXJVHMQ-RDJZCZTQSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001097860485 788254649 /nfs/dbraw/zinc/25/46/49/788254649.db2.gz LZDSWDBEVILQHO-OAGGEKHMSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133072902 788267888 /nfs/dbraw/zinc/26/78/88/788267888.db2.gz MHYVRWHWJSQDTB-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133263584 788339798 /nfs/dbraw/zinc/33/97/98/788339798.db2.gz XUZSAUAPLAMUMI-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086715445 788699706 /nfs/dbraw/zinc/69/97/06/788699706.db2.gz GOTHJQUQIXZLQC-OKZBNKHCSA-N 2 0 321.509 2.415 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170752241 788939947 /nfs/dbraw/zinc/93/99/47/788939947.db2.gz YRUQTEBJPPJLOX-IAGOWNOFSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994443 789157242 /nfs/dbraw/zinc/15/72/42/789157242.db2.gz QWWCIFCGSLMZLI-KGLIPLIRSA-N 2 0 300.406 2.397 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135080892 789193060 /nfs/dbraw/zinc/19/30/60/789193060.db2.gz CZLBSPYXRUWSIP-HZPDHXFCSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135467464 789356265 /nfs/dbraw/zinc/35/62/65/789356265.db2.gz GKKPIKUXURTJGQ-KBPBESRZSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919347 789971602 /nfs/dbraw/zinc/97/16/02/789971602.db2.gz AINUJZNXBJTWFM-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C)CC1 ZINC001146610398 791323011 /nfs/dbraw/zinc/32/30/11/791323011.db2.gz JAJUMIWEHRMCJR-IRXDYDNUSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC=C)CC1 ZINC001146614573 791324621 /nfs/dbraw/zinc/32/46/21/791324621.db2.gz YPAJFVVZWMHUDD-SJORKVTESA-N 2 0 319.493 2.171 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074824686 791329526 /nfs/dbraw/zinc/32/95/26/791329526.db2.gz HZWHJNBATGSQPG-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174862 791703655 /nfs/dbraw/zinc/70/36/55/791703655.db2.gz YXEWJMBJPVABGD-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777188 791797010 /nfs/dbraw/zinc/79/70/10/791797010.db2.gz JTKFIKRWFRORCG-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907742 791845503 /nfs/dbraw/zinc/84/55/03/791845503.db2.gz AGYIOXGLHBEFJO-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907877 791846298 /nfs/dbraw/zinc/84/62/98/791846298.db2.gz GERCJXKYCZXAJH-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001092302275 791973169 /nfs/dbraw/zinc/97/31/69/791973169.db2.gz WNTLZOHQNBPWTD-AOIWGVFYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099123033 792105687 /nfs/dbraw/zinc/10/56/87/792105687.db2.gz OQJPPBGCOUKJQK-LPHOPBHVSA-N 2 0 317.477 2.019 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100377722 792620533 /nfs/dbraw/zinc/62/05/33/792620533.db2.gz JIWRQYCXYXQAHW-UYSNPLJNSA-N 2 0 313.461 2.117 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100420529 792639960 /nfs/dbraw/zinc/63/99/60/792639960.db2.gz LOXCIQUOZBNCOQ-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161946 793043664 /nfs/dbraw/zinc/04/36/64/793043664.db2.gz ZOUUNJAVCXSEQQ-OWSLCNJRSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101363239 793134588 /nfs/dbraw/zinc/13/45/88/793134588.db2.gz RQBKPIWYSZNXNE-LMMKCTJWSA-N 2 0 321.509 2.463 20 30 DEEDRP C[C@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171739283 793206291 /nfs/dbraw/zinc/20/62/91/793206291.db2.gz BIKUUQOOSFGABQ-WMZOPIPTSA-N 2 0 312.461 2.227 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171811325 793220880 /nfs/dbraw/zinc/22/08/80/793220880.db2.gz FRMAGEIPOXMVHM-CQSZACIVSA-N 2 0 300.406 2.399 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001094976176 793531285 /nfs/dbraw/zinc/53/12/85/793531285.db2.gz LTOYMLQSCQHWBD-ULQDDVLXSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001095064905 793636882 /nfs/dbraw/zinc/63/68/82/793636882.db2.gz QWHLGHSFSDTZTA-BZSNNMDCSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612578 793670904 /nfs/dbraw/zinc/67/09/04/793670904.db2.gz NTGDISFWGYNATE-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103005211 793877188 /nfs/dbraw/zinc/87/71/88/793877188.db2.gz WYWBOIINZLXIJN-BRSBDYLESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087617 793934962 /nfs/dbraw/zinc/93/49/62/793934962.db2.gz JWSQDBVVXUNFFI-NXHRZFHOSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426957 794088918 /nfs/dbraw/zinc/08/89/18/794088918.db2.gz UOXXJCJEQXHVQC-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426604 794088974 /nfs/dbraw/zinc/08/89/74/794088974.db2.gz DQRWAGFFJYPAOK-KZNAEPCWSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175317811 794181226 /nfs/dbraw/zinc/18/12/26/794181226.db2.gz QRWFCKKGGGACSG-KBPBESRZSA-N 2 0 303.878 2.344 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629321 794463488 /nfs/dbraw/zinc/46/34/88/794463488.db2.gz UUFCJIAXSRBGJU-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111779178 794477808 /nfs/dbraw/zinc/47/78/08/794477808.db2.gz XWXZLIDIMUWQBT-LPHOPBHVSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753294 794498128 /nfs/dbraw/zinc/49/81/28/794498128.db2.gz FHHCGACCPAJRNM-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760437 794499256 /nfs/dbraw/zinc/49/92/56/794499256.db2.gz WOPYXHUQJHLLSD-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861668 794504222 /nfs/dbraw/zinc/50/42/22/794504222.db2.gz YKXWUGKNDNFCBV-RYRKJORJSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948242 794539030 /nfs/dbraw/zinc/53/90/30/794539030.db2.gz MJUXGYYOEGFXEK-UHFFFAOYSA-N 2 0 303.450 2.424 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112017786 794546270 /nfs/dbraw/zinc/54/62/70/794546270.db2.gz SSVPCDWJKHSZJH-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332299 794642847 /nfs/dbraw/zinc/64/28/47/794642847.db2.gz OVDIBJUAJDYNDO-UHFFFAOYSA-N 2 0 301.862 2.101 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001177402820 794661075 /nfs/dbraw/zinc/66/10/75/794661075.db2.gz WYALEEOSWOZCIJ-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115301560 794728519 /nfs/dbraw/zinc/72/85/19/794728519.db2.gz BTPGUSHROJZLCL-MLHJIOFPSA-N 2 0 319.493 2.119 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178472508 794932052 /nfs/dbraw/zinc/93/20/52/794932052.db2.gz XDTFQSOBHMWZQI-KRWDZBQOSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483571 794935719 /nfs/dbraw/zinc/93/57/19/794935719.db2.gz DXLFMXJFFBUPFE-MSOLQXFVSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179383029 795109748 /nfs/dbraw/zinc/10/97/48/795109748.db2.gz GZASASLCVXZARH-IRXDYDNUSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179608966 795143083 /nfs/dbraw/zinc/14/30/83/795143083.db2.gz ATBSFQLUFQEQGS-AWEZNQCLSA-N 2 0 303.878 2.345 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929208 795201723 /nfs/dbraw/zinc/20/17/23/795201723.db2.gz HIIPGFYOVYHYCW-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440901 795460932 /nfs/dbraw/zinc/46/09/32/795460932.db2.gz UXJMUOQBGQOBES-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120470196 795467677 /nfs/dbraw/zinc/46/76/77/795467677.db2.gz PAYWHMNJAZKNNG-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181746344 795530990 /nfs/dbraw/zinc/53/09/90/795530990.db2.gz QDAXGFPXLCDAKW-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182517027 795696804 /nfs/dbraw/zinc/69/68/04/795696804.db2.gz PKXRSVMDOAQZQL-JFIYKMOQSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121936083 795707114 /nfs/dbraw/zinc/70/71/14/795707114.db2.gz ZWIZWMAWPNCFKT-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001122063423 795722509 /nfs/dbraw/zinc/72/25/09/795722509.db2.gz IKRCPDGHYRRONR-UHFFFAOYSA-N 2 0 317.477 2.065 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240943 795836815 /nfs/dbraw/zinc/83/68/15/795836815.db2.gz WJHUCZYEKUWLRZ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC001183399255 795865178 /nfs/dbraw/zinc/86/51/78/795865178.db2.gz QNARDEVFLBQNIB-CRAIPNDOSA-N 2 0 318.465 2.232 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183648629 795906025 /nfs/dbraw/zinc/90/60/25/795906025.db2.gz WJLBLWKSSMAKLP-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183869129 795956251 /nfs/dbraw/zinc/95/62/51/795956251.db2.gz RZNIQUXFAGUYNA-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001185500956 796272657 /nfs/dbraw/zinc/27/26/57/796272657.db2.gz AAOBJSFFPWFUMQ-CVEARBPZSA-N 2 0 318.465 2.003 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185546400 796288921 /nfs/dbraw/zinc/28/89/21/796288921.db2.gz BLWAMPYJTQQCLO-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001202941197 796387902 /nfs/dbraw/zinc/38/79/02/796387902.db2.gz YIMPLWBXZQRWLI-UHFFFAOYSA-N 2 0 304.438 2.128 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203043783 796533545 /nfs/dbraw/zinc/53/35/45/796533545.db2.gz FGORXZBKRXRUCE-SJORKVTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203103870 796649766 /nfs/dbraw/zinc/64/97/66/796649766.db2.gz NJCUASRBRQCHJZ-GJZGRUSLSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001188361416 796666876 /nfs/dbraw/zinc/66/68/76/796666876.db2.gz KOHKRIQVGJBBHD-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480769 797008916 /nfs/dbraw/zinc/00/89/16/797008916.db2.gz JCXAMPWLEDNKTO-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190742177 797066155 /nfs/dbraw/zinc/06/61/55/797066155.db2.gz BGWHPDFTJSOISZ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266349 797312574 /nfs/dbraw/zinc/31/25/74/797312574.db2.gz DSEUQFJQUGWHOO-UHFFFAOYSA-N 2 0 307.438 2.407 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464744 797539573 /nfs/dbraw/zinc/53/95/73/797539573.db2.gz WEUXGLBLKVRULW-QGZVFWFLSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367257 798053069 /nfs/dbraw/zinc/05/30/69/798053069.db2.gz VATNQNXRXHCMNO-UHFFFAOYSA-N 2 0 316.449 2.018 20 30 DEEDRP CC#CCN1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197795645 798239315 /nfs/dbraw/zinc/23/93/15/798239315.db2.gz ZDVJTHSFRPBKKV-UHFFFAOYSA-N 2 0 321.509 2.446 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951325 798312306 /nfs/dbraw/zinc/31/23/06/798312306.db2.gz UJVYPDPCIZLYOH-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157973539 798319324 /nfs/dbraw/zinc/31/93/24/798319324.db2.gz HJFZXDLIIQPTIA-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203902241 798320623 /nfs/dbraw/zinc/32/06/23/798320623.db2.gz DQRUOGSOQFCHFD-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082322 798339883 /nfs/dbraw/zinc/33/98/83/798339883.db2.gz BRLYJQNIFBGLRY-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090356 798341207 /nfs/dbraw/zinc/34/12/07/798341207.db2.gz WYLDPMNPEMSLEO-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186771 798356105 /nfs/dbraw/zinc/35/61/05/798356105.db2.gz XATASJXZFZDJIR-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200636232 798660255 /nfs/dbraw/zinc/66/02/55/798660255.db2.gz HKFOSOIWKMWBPA-ZMSDIMECSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160353544 798678871 /nfs/dbraw/zinc/67/88/71/798678871.db2.gz XFIRFBCHOLKHEJ-KRWDZBQOSA-N 2 0 305.466 2.041 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406230 798684200 /nfs/dbraw/zinc/68/42/00/798684200.db2.gz KPZQNOOIORGULB-KRWDZBQOSA-N 2 0 307.482 2.287 20 30 DEEDRP N#Cc1cc2c(nc1-n1cc(CC[NH3+])c3c[nH+]ccc31)CCC2 ZINC001160949924 798769197 /nfs/dbraw/zinc/76/91/97/798769197.db2.gz GWRFJFSJPGARRZ-UHFFFAOYSA-N 2 0 303.369 2.282 20 30 DEEDRP Cc1cnc(C#N)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201653449 798785356 /nfs/dbraw/zinc/78/53/56/798785356.db2.gz ANKHWWSJQIKUCA-UHFFFAOYSA-N 2 0 308.389 2.152 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161446081 798861042 /nfs/dbraw/zinc/86/10/42/798861042.db2.gz WKGDKSMEPKWUNJ-QZTJIDSGSA-N 2 0 317.477 2.328 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491776 798869283 /nfs/dbraw/zinc/86/92/83/798869283.db2.gz ONDYBTYWOXUKLF-GOSISDBHSA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163248139 799287369 /nfs/dbraw/zinc/28/73/69/799287369.db2.gz NFAUILFUNHTWTG-UHFFFAOYSA-N 2 0 317.477 2.466 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164578602 799626404 /nfs/dbraw/zinc/62/64/04/799626404.db2.gz JFTFYQFGYTYJGA-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668238 799687155 /nfs/dbraw/zinc/68/71/55/799687155.db2.gz MXTVNDKVLFBZED-QZWWFDLISA-N 2 0 305.466 2.014 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165992791 799809429 /nfs/dbraw/zinc/80/94/29/799809429.db2.gz IKGZPZGISHQWQQ-UHFFFAOYSA-N 2 0 312.417 2.400 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166986769 799997679 /nfs/dbraw/zinc/99/76/79/799997679.db2.gz PWOCRNOVCGHMSD-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203649317 800099322 /nfs/dbraw/zinc/09/93/22/800099322.db2.gz AJRCLHOOMXRZRH-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730481 800112565 /nfs/dbraw/zinc/11/25/65/800112565.db2.gz LJWMWVLNNQTPAC-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742416 800115417 /nfs/dbraw/zinc/11/54/17/800115417.db2.gz NIHXTSFYJGLNNS-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001203903048 800144765 /nfs/dbraw/zinc/14/47/65/800144765.db2.gz JNDUTKSGPOAUMK-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204793842 800258010 /nfs/dbraw/zinc/25/80/10/800258010.db2.gz PHDFAJYUDGWVMW-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CN(C)c1ccc(CN2CCC[C@@](C)([NH3+])CC2)c(F)c1C#N ZINC001205287911 800337032 /nfs/dbraw/zinc/33/70/32/800337032.db2.gz DACYTRYCTJQDHK-QGZVFWFLSA-N 2 0 304.413 2.467 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284931 800337116 /nfs/dbraw/zinc/33/71/16/800337116.db2.gz UGJMJKLIDJKYLX-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461375 800359856 /nfs/dbraw/zinc/35/98/56/800359856.db2.gz HSDNLWXUOLESCB-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP Cn1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2cc(C#N)ccc21 ZINC001206200075 800488708 /nfs/dbraw/zinc/48/87/08/800488708.db2.gz QBDTXQJSGCETRA-CVEARBPZSA-N 2 0 300.381 2.311 20 30 DEEDRP C#CCOc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1OC ZINC001206615501 800565804 /nfs/dbraw/zinc/56/58/04/800565804.db2.gz GJCXYBRNOHZEJS-MRXNPFEDSA-N 2 0 302.418 2.268 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208050469 800902452 /nfs/dbraw/zinc/90/24/52/800902452.db2.gz YWGOXBYCWUAHKN-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208473791 800990873 /nfs/dbraw/zinc/99/08/73/800990873.db2.gz DXSGGPCFABECFL-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208747899 801061936 /nfs/dbraw/zinc/06/19/36/801061936.db2.gz FRFVFNBDGCUYLI-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209206126 801150980 /nfs/dbraw/zinc/15/09/80/801150980.db2.gz YAIDKWKZBABBND-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001229459461 801280979 /nfs/dbraw/zinc/28/09/79/801280979.db2.gz SSWMOOMHBTUYCI-QZTJIDSGSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230618396 801438750 /nfs/dbraw/zinc/43/87/50/801438750.db2.gz MLCJUMIKUCORAY-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211063984 801507016 /nfs/dbraw/zinc/50/70/16/801507016.db2.gz FVMASDHQVBTDRR-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211256383 801537761 /nfs/dbraw/zinc/53/77/61/801537761.db2.gz FDWKTPCVNBZRDD-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231216661 801608860 /nfs/dbraw/zinc/60/88/60/801608860.db2.gz MOXMPGFQEWIFNG-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754631 801758370 /nfs/dbraw/zinc/75/83/70/801758370.db2.gz AQDUYXUJECJYDS-OWCLPIDISA-N 2 0 313.461 2.069 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)cc1C#N ZINC001232607779 801926855 /nfs/dbraw/zinc/92/68/55/801926855.db2.gz WTYINMJYGPTOOU-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001218211154 802153877 /nfs/dbraw/zinc/15/38/77/802153877.db2.gz RNKQFLCQOVHMHS-GOSISDBHSA-N 2 0 301.434 2.125 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533568 802201172 /nfs/dbraw/zinc/20/11/72/802201172.db2.gz POMSADKUPSRFAS-NEPJUHHUSA-N 2 0 322.478 2.361 20 30 DEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(C#N)c1F ZINC001218915757 802260294 /nfs/dbraw/zinc/26/02/94/802260294.db2.gz QWFGEZGASSZSAV-ZDUSSCGKSA-N 2 0 324.375 2.271 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620807 802598685 /nfs/dbraw/zinc/59/86/85/802598685.db2.gz ZJCBEDDVKSAIDE-JFIYKMOQSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222088134 802640640 /nfs/dbraw/zinc/64/06/40/802640640.db2.gz SDWRCQQUHSQFQZ-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521573 802700546 /nfs/dbraw/zinc/70/05/46/802700546.db2.gz WJGILXZSCOGVBW-IBGZPJMESA-N 2 0 319.493 2.315 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223512394 802797400 /nfs/dbraw/zinc/79/74/00/802797400.db2.gz FWMRPPNRJMLONM-CVEARBPZSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223846631 802818714 /nfs/dbraw/zinc/81/87/14/802818714.db2.gz PSEYGJAWFVSPQN-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224538566 802880316 /nfs/dbraw/zinc/88/03/16/802880316.db2.gz XZIYENOLQUWSNA-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001227218475 803217140 /nfs/dbraw/zinc/21/71/40/803217140.db2.gz WHDQGVAQNVLULA-QZTJIDSGSA-N 2 0 324.428 2.297 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001227669051 803264828 /nfs/dbraw/zinc/26/48/28/803264828.db2.gz KHNYGSMKGMTRDB-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228593844 803378233 /nfs/dbraw/zinc/37/82/33/803378233.db2.gz FUENQCKIHUSKAR-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001331516006 1149497257 /nfs/dbraw/zinc/49/72/57/1149497257.db2.gz JQAGYJGIFXXPGT-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)C)CC1 ZINC001331644538 1149574356 /nfs/dbraw/zinc/57/43/56/1149574356.db2.gz NTSJGOKYIWMXCW-KRWDZBQOSA-N 2 0 321.509 2.204 20 30 DEEDRP C#Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnc2C)nc1 ZINC001328355984 1148779269 /nfs/dbraw/zinc/77/92/69/1148779269.db2.gz OFPMIVRSUXNMPK-UHFFFAOYSA-N 2 0 303.325 2.204 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001328731775 1148829161 /nfs/dbraw/zinc/82/91/61/1148829161.db2.gz ABQBMKDLJKNCEO-KRWDZBQOSA-N 2 0 324.428 2.202 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001502147129 1060000108 /nfs/dbraw/zinc/00/01/08/1060000108.db2.gz CURCSKUTAIZSRK-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001505435188 1060592792 /nfs/dbraw/zinc/59/27/92/1060592792.db2.gz DETASDXIMHKFQI-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001505619015 1060784013 /nfs/dbraw/zinc/78/40/13/1060784013.db2.gz SUFPZOJUWXLBBU-OLZOCXBDSA-N 2 0 309.479 2.482 20 30 DEEDRP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001479777678 1061735518 /nfs/dbraw/zinc/73/55/18/1061735518.db2.gz AMSIFDXYLSPSBX-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479835598 1061867800 /nfs/dbraw/zinc/86/78/00/1061867800.db2.gz XWKCVJAOJMXHNZ-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001506621396 1062200077 /nfs/dbraw/zinc/20/00/77/1062200077.db2.gz LIDFCLQUQRRRGJ-HYVNUMGLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001507358526 1063151629 /nfs/dbraw/zinc/15/16/29/1063151629.db2.gz ASIXTNBHLDQIJF-BRWVUGGUSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480724651 1063251338 /nfs/dbraw/zinc/25/13/38/1063251338.db2.gz KVNZTGVNNVTHCC-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001493837285 1063984456 /nfs/dbraw/zinc/98/44/56/1063984456.db2.gz RYLOBKXFPSOZAR-OAHLLOKOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001494198738 1064169100 /nfs/dbraw/zinc/16/91/00/1064169100.db2.gz UAEJQFNJXNREJT-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567406031 1064184749 /nfs/dbraw/zinc/18/47/49/1064184749.db2.gz NCBMDBADIBLSFQ-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001567648081 1064314285 /nfs/dbraw/zinc/31/42/85/1064314285.db2.gz YUGOWYHLCMYTBQ-SFHVURJKSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567688982 1064345032 /nfs/dbraw/zinc/34/50/32/1064345032.db2.gz OWTZVHQPLBMIMD-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001567752426 1064403792 /nfs/dbraw/zinc/40/37/92/1064403792.db2.gz RYIJMQLBOVXGOU-UHFFFAOYSA-N 2 0 304.438 2.007 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001494739145 1064443950 /nfs/dbraw/zinc/44/39/50/1064443950.db2.gz BVIYTISIAYJUMI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001568043886 1064614658 /nfs/dbraw/zinc/61/46/58/1064614658.db2.gz QEVFAFQCGMPICH-WMZOPIPTSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568057376 1064623556 /nfs/dbraw/zinc/62/35/56/1064623556.db2.gz SHHUBHNUULZQLM-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001495034160 1064654673 /nfs/dbraw/zinc/65/46/73/1064654673.db2.gz HQSIBLDDWFSHOX-CYBMUJFWSA-N 2 0 301.862 2.098 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001568470569 1064892570 /nfs/dbraw/zinc/89/25/70/1064892570.db2.gz QLHAWNGWJCQOEV-GOSISDBHSA-N 2 0 315.461 2.116 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001495519883 1064960908 /nfs/dbraw/zinc/96/09/08/1064960908.db2.gz JROCHFXQICVDTF-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001495554796 1064981061 /nfs/dbraw/zinc/98/10/61/1064981061.db2.gz WIPDBPMCJOTSLS-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001569018249 1065243915 /nfs/dbraw/zinc/24/39/15/1065243915.db2.gz BNAAUGXJGPTKAC-NXHRZFHOSA-N 2 0 315.461 2.002 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001496418091 1065458767 /nfs/dbraw/zinc/45/87/67/1065458767.db2.gz WOWUTHOGKMUFSP-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001496418089 1065458863 /nfs/dbraw/zinc/45/88/63/1065458863.db2.gz WOWUTHOGKMUFSP-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569552404 1065586365 /nfs/dbraw/zinc/58/63/65/1065586365.db2.gz DMZXJXLBSMCBEP-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001569715736 1065688298 /nfs/dbraw/zinc/68/82/98/1065688298.db2.gz QCYNQOVRKYEKKH-PKOBYXMFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001496871513 1065769930 /nfs/dbraw/zinc/76/99/30/1065769930.db2.gz ZJBIENXRJHEATP-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569909898 1065811775 /nfs/dbraw/zinc/81/17/75/1065811775.db2.gz KATRUALQNYKFKA-BRSBDYLESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCC1 ZINC001570123345 1065932668 /nfs/dbraw/zinc/93/26/68/1065932668.db2.gz QHNJYKZNKYCFLA-KRWDZBQOSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001570364727 1066033853 /nfs/dbraw/zinc/03/38/53/1066033853.db2.gz YJSGGYMRHFCVLF-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001498877779 1066934748 /nfs/dbraw/zinc/93/47/48/1066934748.db2.gz WTPABEMNXQHCEV-HNNXBMFYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001499514939 1067241547 /nfs/dbraw/zinc/24/15/47/1067241547.db2.gz KQODQBVXBBYKQP-KSZLIROESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001649443227 1078504249 /nfs/dbraw/zinc/50/42/49/1078504249.db2.gz OGNARJDULGYBPP-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001671309161 1078524568 /nfs/dbraw/zinc/52/45/68/1078524568.db2.gz ZRJHEGSFVYIVGK-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP Cn1cc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)c(-c2ccc(C#N)cc2)n1 ZINC001579963893 1067463161 /nfs/dbraw/zinc/46/31/61/1067463161.db2.gz BNMRIHJJUGCKBT-QAQDUYKDSA-N 2 0 309.417 2.318 20 30 DEEDRP N#Cc1ccc(NCCN[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)nc1 ZINC001580070132 1067488591 /nfs/dbraw/zinc/48/85/91/1067488591.db2.gz PLAWMOUPOAIXLX-MSOLQXFVSA-N 2 0 321.428 2.100 20 30 DEEDRP N#Cc1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC001580069721 1067488816 /nfs/dbraw/zinc/48/88/16/1067488816.db2.gz FVKDKPVNSGKXNY-OAHLLOKOSA-N 2 0 316.424 2.209 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570810630 1068124420 /nfs/dbraw/zinc/12/44/20/1068124420.db2.gz TYSXUNZFFSAROL-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001570813971 1068126343 /nfs/dbraw/zinc/12/63/43/1068126343.db2.gz JTNURODPJMRERF-HZPDHXFCSA-N 2 0 318.465 2.205 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC/C=C\CC)CC1 ZINC001571419640 1068285952 /nfs/dbraw/zinc/28/59/52/1068285952.db2.gz VHKJCEVGNHCVFO-ZPUOCTKUSA-N 2 0 319.493 2.124 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC/C=C/CC)CC1 ZINC001571419638 1068286135 /nfs/dbraw/zinc/28/61/35/1068286135.db2.gz VHKJCEVGNHCVFO-OZSKJFCKSA-N 2 0 319.493 2.124 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001571636045 1068452717 /nfs/dbraw/zinc/45/27/17/1068452717.db2.gz RGPCNCPPTZZTKN-KRWDZBQOSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001571683582 1068478695 /nfs/dbraw/zinc/47/86/95/1068478695.db2.gz KDQRWCYGFSIRBW-RDJZCZTQSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001267295256 1078742240 /nfs/dbraw/zinc/74/22/40/1078742240.db2.gz SILUXYVGXSXXGM-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267297645 1078743139 /nfs/dbraw/zinc/74/31/39/1078743139.db2.gz DYWMDDMLYAIDIK-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267357863 1078790290 /nfs/dbraw/zinc/79/02/90/1078790290.db2.gz SQZVSYJVPPYPCO-MSOLQXFVSA-N 2 0 315.461 2.492 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267536379 1078966321 /nfs/dbraw/zinc/96/63/21/1078966321.db2.gz RSECNPJLGSICIQ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106274721 1078989273 /nfs/dbraw/zinc/98/92/73/1078989273.db2.gz RFDUNTLSIZNTLK-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267591127 1079103727 /nfs/dbraw/zinc/10/37/27/1079103727.db2.gz AIVULHSOOYRDCW-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001483846243 1079147522 /nfs/dbraw/zinc/14/75/22/1079147522.db2.gz FWDLOSFUOUXEHO-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267685136 1079372987 /nfs/dbraw/zinc/37/29/87/1079372987.db2.gz YYAYWHFOIFTFBW-SJORKVTESA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001566490801 1075259119 /nfs/dbraw/zinc/25/91/19/1075259119.db2.gz CYOGDQWTGFUJEQ-QGZVFWFLSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267697670 1079385062 /nfs/dbraw/zinc/38/50/62/1079385062.db2.gz TYSSJCCURUSZSM-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682263 1075315772 /nfs/dbraw/zinc/31/57/72/1075315772.db2.gz SYNGYPDAUBFNRP-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001566735748 1075328984 /nfs/dbraw/zinc/32/89/84/1075328984.db2.gz KGZDIJDVBHXAEH-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566739741 1075330810 /nfs/dbraw/zinc/33/08/10/1075330810.db2.gz IKDNOPRZKUEZQR-SJLPKXTDSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267703649 1079391541 /nfs/dbraw/zinc/39/15/41/1079391541.db2.gz SOGNSBDRJHNOBP-IRXDYDNUSA-N 2 0 309.498 2.319 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001566906571 1075380431 /nfs/dbraw/zinc/38/04/31/1075380431.db2.gz LCOCXVKGALUABX-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001567155160 1075447117 /nfs/dbraw/zinc/44/71/17/1075447117.db2.gz MZCNSABAIUPBCT-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567203775 1075463038 /nfs/dbraw/zinc/46/30/38/1075463038.db2.gz ZUVFJPJBTKTSIC-HNNXBMFYSA-N 2 0 315.889 2.394 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567203776 1075463043 /nfs/dbraw/zinc/46/30/43/1075463043.db2.gz ZUVFJPJBTKTSIC-OAHLLOKOSA-N 2 0 315.889 2.394 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267896999 1079583101 /nfs/dbraw/zinc/58/31/01/1079583101.db2.gz HLAFTBYOZAHPOH-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001484388781 1079583872 /nfs/dbraw/zinc/58/38/72/1079583872.db2.gz KIHXLXNSRHFBKC-ACHSLPGTSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001267938403 1079620271 /nfs/dbraw/zinc/62/02/71/1079620271.db2.gz VQPZPPCGFZMJOI-GOSISDBHSA-N 2 0 315.461 2.453 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001484928651 1079859253 /nfs/dbraw/zinc/85/92/53/1079859253.db2.gz XTEMNRGJEZDYRN-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484927443 1079859884 /nfs/dbraw/zinc/85/98/84/1079859884.db2.gz RTJOAXRUBJESCK-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485029138 1079922053 /nfs/dbraw/zinc/92/20/53/1079922053.db2.gz IIQQCKSBBKIVNP-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268107249 1080077241 /nfs/dbraw/zinc/07/72/41/1080077241.db2.gz ZUZQXIUVRKJRDA-IAGOWNOFSA-N 2 0 307.482 2.025 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001268269290 1080249327 /nfs/dbraw/zinc/24/93/27/1080249327.db2.gz LUYUBYRKDKHONN-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268373706 1080386718 /nfs/dbraw/zinc/38/67/18/1080386718.db2.gz RKKYHOQRACPCKU-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485741579 1080402173 /nfs/dbraw/zinc/40/21/73/1080402173.db2.gz JZWUPZXRTMAZNC-OAHLLOKOSA-N 2 0 315.889 2.345 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753353 1080440909 /nfs/dbraw/zinc/44/09/09/1080440909.db2.gz SVYNURZWHOJDEC-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001661793193 1080524088 /nfs/dbraw/zinc/52/40/88/1080524088.db2.gz NZDYDSMBVFGDQH-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001662125894 1080571117 /nfs/dbraw/zinc/57/11/17/1080571117.db2.gz DKANBEASUINKMP-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001662537472 1080615084 /nfs/dbraw/zinc/61/50/84/1080615084.db2.gz DGDHPCHRYVMIKU-KRWDZBQOSA-N 2 0 309.498 2.489 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001482018256 1080691276 /nfs/dbraw/zinc/69/12/76/1080691276.db2.gz NHVHGKFRNMCKMH-TVFCKZIOSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001664462341 1080912327 /nfs/dbraw/zinc/91/23/27/1080912327.db2.gz FXHBMCZOTCKBIQ-NVXWUHKLSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001664667902 1080938592 /nfs/dbraw/zinc/93/85/92/1080938592.db2.gz SBTBZHOSRICQKT-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001664859302 1080973811 /nfs/dbraw/zinc/97/38/11/1080973811.db2.gz QRKWZEPXJACBEU-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665646628 1081056145 /nfs/dbraw/zinc/05/61/45/1081056145.db2.gz AZYNTKYGUHOLNT-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001665731378 1081072573 /nfs/dbraw/zinc/07/25/73/1081072573.db2.gz LFZWVEXMUFAANN-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001666152566 1081128885 /nfs/dbraw/zinc/12/88/85/1081128885.db2.gz QRLGNPCWRBLFAX-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001666211913 1081134527 /nfs/dbraw/zinc/13/45/27/1081134527.db2.gz VQSVLZMVRNGXQP-GOSISDBHSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666619627 1081167529 /nfs/dbraw/zinc/16/75/29/1081167529.db2.gz HJZQAYZMQZCNLF-WMLDXEAASA-N 2 0 313.461 2.117 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001667133850 1081215261 /nfs/dbraw/zinc/21/52/61/1081215261.db2.gz ACVWXIVINDFFAP-ZWKOTPCHSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001482213735 1081217471 /nfs/dbraw/zinc/21/74/71/1081217471.db2.gz XOXHBPJBYZKQFP-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001667285476 1081233751 /nfs/dbraw/zinc/23/37/51/1081233751.db2.gz SBIPJVFWAGRPGN-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001667695306 1081275099 /nfs/dbraw/zinc/27/50/99/1081275099.db2.gz VZNCGDHBYYKUNB-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC1 ZINC001269575784 1081295254 /nfs/dbraw/zinc/29/52/54/1081295254.db2.gz PAVLVLXGXBCBPK-UHFFFAOYSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001269778721 1081364686 /nfs/dbraw/zinc/36/46/86/1081364686.db2.gz VLZLYNJKOHEOSP-JKSUJKDBSA-N 2 0 318.465 2.383 20 30 DEEDRP C=CCCCCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001269842913 1081379636 /nfs/dbraw/zinc/37/96/36/1081379636.db2.gz DXNSVPKXOKOQEJ-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812634 1081409507 /nfs/dbraw/zinc/40/95/07/1081409507.db2.gz PMLBSDZOLAKHEQ-VSZNYVQBSA-N 2 0 317.477 2.158 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001270105026 1081451087 /nfs/dbraw/zinc/45/10/87/1081451087.db2.gz IMHUIBMXNQWNIF-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001669974114 1081485591 /nfs/dbraw/zinc/48/55/91/1081485591.db2.gz QTLJJUXLMVAWGS-ROUUACIJSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482283069 1081510200 /nfs/dbraw/zinc/51/02/00/1081510200.db2.gz CDOPKQOIIAWEAU-UONOGXRCSA-N 2 0 301.862 2.048 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001672434297 1081598299 /nfs/dbraw/zinc/59/82/99/1081598299.db2.gz XIOPECWFQJVQTM-KSZLIROESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCN1CC(N(CC)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000952444509 1081714038 /nfs/dbraw/zinc/71/40/38/1081714038.db2.gz UKRPIEYMFGWDNJ-RDJZCZTQSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001270848404 1081743439 /nfs/dbraw/zinc/74/34/39/1081743439.db2.gz UEGRTYIXUZVTEJ-SFHVURJKSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001673449592 1081772402 /nfs/dbraw/zinc/77/24/02/1081772402.db2.gz HGOPGZUHJUCZGP-UHFFFAOYSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001673650574 1081788677 /nfs/dbraw/zinc/78/86/77/1081788677.db2.gz LATMBMHNWKKZHQ-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001482400796 1081793177 /nfs/dbraw/zinc/79/31/77/1081793177.db2.gz QLHOFMMDZXINRZ-QZTJIDSGSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001270965106 1081856758 /nfs/dbraw/zinc/85/67/58/1081856758.db2.gz AEYGEHCOSLVGPU-FUHWJXTLSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001271285531 1082004377 /nfs/dbraw/zinc/00/43/77/1082004377.db2.gz HFSJBFMVIGXSNE-QGZVFWFLSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001266469723 1082056383 /nfs/dbraw/zinc/05/63/83/1082056383.db2.gz QXGNSIOWLVDGHO-MRXNPFEDSA-N 2 0 318.465 2.363 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266472664 1082060216 /nfs/dbraw/zinc/06/02/16/1082060216.db2.gz OPOGWUHZDSATTJ-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001271711569 1082116261 /nfs/dbraw/zinc/11/62/61/1082116261.db2.gz JMZVRUOFLOUUAE-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001271770036 1082149910 /nfs/dbraw/zinc/14/99/10/1082149910.db2.gz FFIQUAWJDGTYFH-QAQDUYKDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001670490315 1082151598 /nfs/dbraw/zinc/15/15/98/1082151598.db2.gz JBUIZFKRNBMMFZ-MRXNPFEDSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001271790158 1082154989 /nfs/dbraw/zinc/15/49/89/1082154989.db2.gz HHUHJDJWSGDQAO-GOSISDBHSA-N 2 0 321.509 2.156 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001266613736 1082210793 /nfs/dbraw/zinc/21/07/93/1082210793.db2.gz DMQRYOLLAOVEIB-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001671599606 1082249009 /nfs/dbraw/zinc/24/90/09/1082249009.db2.gz ZCJVNVNRGFSCHC-SFHVURJKSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001266658881 1082254314 /nfs/dbraw/zinc/25/43/14/1082254314.db2.gz JMXXPQCEQKKMDO-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001266658882 1082254358 /nfs/dbraw/zinc/25/43/58/1082254358.db2.gz JMXXPQCEQKKMDO-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266663232 1082257518 /nfs/dbraw/zinc/25/75/18/1082257518.db2.gz MACCQBQKZYIJJC-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001266662263 1082258091 /nfs/dbraw/zinc/25/80/91/1082258091.db2.gz DEKUVTIYBDAFSK-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001266751583 1082320961 /nfs/dbraw/zinc/32/09/61/1082320961.db2.gz HZCSNNAPSDFELU-OAHLLOKOSA-N 2 0 304.438 2.137 20 30 DEEDRP 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 1082443586 /nfs/dbraw/zinc/44/35/86/1082443586.db2.gz VUOSTTULTLRTQZ-UXJCHEOYSA-N 2 0 319.493 2.118 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001272084993 1082444898 /nfs/dbraw/zinc/44/48/98/1082444898.db2.gz GFBIMJXZSUDQRI-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]21 ZINC001482669280 1082451861 /nfs/dbraw/zinc/45/18/61/1082451861.db2.gz YYAKGPDIIVCKKG-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001480904486 1082470895 /nfs/dbraw/zinc/47/08/95/1082470895.db2.gz HVURHMSSYDXDAT-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277225062 1083855617 /nfs/dbraw/zinc/85/56/17/1083855617.db2.gz QLZYQBNTBJKKMD-VQIMIIECSA-N 2 0 321.509 2.489 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001272762617 1083957488 /nfs/dbraw/zinc/95/74/88/1083957488.db2.gz BCARNWVPWSCTAQ-XSLAGTTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491174410 1084130611 /nfs/dbraw/zinc/13/06/11/1084130611.db2.gz QHGPAHACFANAJO-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001670924372 1084146875 /nfs/dbraw/zinc/14/68/75/1084146875.db2.gz XELXSEPMTYFYCZ-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001491222927 1084166285 /nfs/dbraw/zinc/16/62/85/1084166285.db2.gz SZWDLZVRUJBGGV-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCOc1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235007439 1084271152 /nfs/dbraw/zinc/27/11/52/1084271152.db2.gz OAKHLDJWTFKNIA-IBGZPJMESA-N 2 0 316.445 2.453 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2[C@H]3C[NH2+]C[C@H]3C[C@]2(C(=O)OC)C1 ZINC001235330219 1084390732 /nfs/dbraw/zinc/39/07/32/1084390732.db2.gz LBKYPKVQIJXXJQ-HPFXQQBRSA-N 2 0 308.466 2.287 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)[C@H]1C ZINC001486087315 1085051012 /nfs/dbraw/zinc/05/10/12/1085051012.db2.gz IMSKUCCZUWAJHW-MAUKXSAKSA-N 2 0 322.412 2.088 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001486137995 1085083558 /nfs/dbraw/zinc/08/35/58/1085083558.db2.gz WMWJNWUMARINOA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001486159347 1085099720 /nfs/dbraw/zinc/09/97/20/1085099720.db2.gz GEEKABIMYMGHJR-FUHWJXTLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001494137702 1085162498 /nfs/dbraw/zinc/16/24/98/1085162498.db2.gz NRSLERGPIUGJFD-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1(C)C ZINC001486246312 1085163198 /nfs/dbraw/zinc/16/31/98/1085163198.db2.gz ITLLRACDQRMHQS-APWZRJJASA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C ZINC001486414068 1085284835 /nfs/dbraw/zinc/28/48/35/1085284835.db2.gz UZRQNTDAESZWPA-HIFRSBDPSA-N 2 0 306.454 2.427 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001494152264 1085287953 /nfs/dbraw/zinc/28/79/53/1085287953.db2.gz BHQOVLQMOUMUQG-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961443854 1085735903 /nfs/dbraw/zinc/73/59/03/1085735903.db2.gz XJYZPVHGZOGKIE-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCN1CCC2(CC[NH+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273145342 1086916453 /nfs/dbraw/zinc/91/64/53/1086916453.db2.gz WBZNOYDVBRWFOP-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415303 1088049967 /nfs/dbraw/zinc/04/99/67/1088049967.db2.gz KGWIFLYGOMOFTQ-ZACQAIPSSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001114502063 1088180775 /nfs/dbraw/zinc/18/07/75/1088180775.db2.gz NFEAHQPLXHTEOF-XDNAFOTISA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079845149 1088446291 /nfs/dbraw/zinc/44/62/91/1088446291.db2.gz OJGSXOPPEYSQTG-FGTMMUONSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079849206 1088472546 /nfs/dbraw/zinc/47/25/46/1088472546.db2.gz PZLIVNDIPSKZBD-IXDOHACOSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310978 1088809345 /nfs/dbraw/zinc/80/93/45/1088809345.db2.gz LWEGQIWLSOXOAP-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828364 1088876679 /nfs/dbraw/zinc/87/66/79/1088876679.db2.gz BKBZHQNNMVCGFP-VVLHAWIVSA-N 2 0 307.482 2.119 20 30 DEEDRP 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 1089085400 /nfs/dbraw/zinc/08/54/00/1089085400.db2.gz KGJLUIYWXATARA-BDXSIMOUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345157 1090272101 /nfs/dbraw/zinc/27/21/01/1090272101.db2.gz WYPWQQOAPDDRCC-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP CCCCCCCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275131305 1091571486 /nfs/dbraw/zinc/57/14/86/1091571486.db2.gz OUJKPXASOSPOGJ-ROUUACIJSA-N 2 0 311.514 2.294 20 30 DEEDRP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275599707 1091901875 /nfs/dbraw/zinc/90/18/75/1091901875.db2.gz JUDMYFGESWFKAX-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775711 1091928573 /nfs/dbraw/zinc/92/85/73/1091928573.db2.gz PCUPNPNQGDTURM-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000949023168 1092032626 /nfs/dbraw/zinc/03/26/26/1092032626.db2.gz UHSCBLSTVLYZIV-UHFFFAOYSA-N 2 0 312.417 2.367 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001006442573 1092134681 /nfs/dbraw/zinc/13/46/81/1092134681.db2.gz JJDUTAIBBWRVEQ-HZPDHXFCSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490197249 1093243473 /nfs/dbraw/zinc/24/34/73/1093243473.db2.gz WUHXUKRKNZHCQK-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001490312368 1093304577 /nfs/dbraw/zinc/30/45/77/1093304577.db2.gz OTTXLRPWCMTOBI-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001490599517 1093437231 /nfs/dbraw/zinc/43/72/31/1093437231.db2.gz QXWAAAJPWDIRFW-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+]CCN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236508855 1138369151 /nfs/dbraw/zinc/36/91/51/1138369151.db2.gz DUPDICGMOXBONS-UHFFFAOYSA-N 2 0 305.441 2.464 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001278079094 1138560714 /nfs/dbraw/zinc/56/07/14/1138560714.db2.gz CNJGGZKWCRCYHB-UHFFFAOYSA-N 2 0 321.509 2.493 20 30 DEEDRP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CCCC)CC1 ZINC001278194737 1138826899 /nfs/dbraw/zinc/82/68/99/1138826899.db2.gz SRYJLUXRCQAZRV-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP N#Cc1c2c(cnc1-c1ccc3c(c1)CC[NH2+]C3)C[NH2+]CCC2 ZINC001240453325 1139371335 /nfs/dbraw/zinc/37/13/35/1139371335.db2.gz XFPPLJLQOKJKAJ-UHFFFAOYSA-N 2 0 304.397 2.302 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318823602 1140427596 /nfs/dbraw/zinc/42/75/96/1140427596.db2.gz GUPJKQYHXGPGGM-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001319394157 1140562279 /nfs/dbraw/zinc/56/22/79/1140562279.db2.gz CGKCWWAMYIHVOR-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001320167767 1140832568 /nfs/dbraw/zinc/83/25/68/1140832568.db2.gz WHTUMWKSPKSIJN-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001278432660 1140865210 /nfs/dbraw/zinc/86/52/10/1140865210.db2.gz GSJLJRIOXITBJO-RHSMWYFYSA-N 2 0 304.438 2.135 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH2+][C@H](CC2CC[NH2+]CC2)c2ccccc2)CCN1 ZINC001246395123 1140893822 /nfs/dbraw/zinc/89/38/22/1140893822.db2.gz MRBNJLJHKJRMNA-CEXWTWQISA-N 2 0 312.461 2.351 20 30 DEEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709184 1141039554 /nfs/dbraw/zinc/03/95/54/1141039554.db2.gz SIQNPVWSSXOJRL-NUJGCVRESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001252489384 1142733961 /nfs/dbraw/zinc/73/39/61/1142733961.db2.gz ZBZDXCJMSVGYLN-GOSISDBHSA-N 2 0 310.482 2.184 20 30 DEEDRP 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 1142882930 /nfs/dbraw/zinc/88/29/30/1142882930.db2.gz QWXUBHCURXNILB-UURKPOQGSA-N 2 0 302.462 2.428 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254514321 1143172740 /nfs/dbraw/zinc/17/27/40/1143172740.db2.gz KIOBBQPQSRIYMJ-INIZCTEOSA-N 2 0 309.454 2.095 20 30 DEEDRP CC(C)[N@H+](C)Cc1nn([C@@H]2CC[C@H](C#N)C2)c2c1CC[NH2+]C2 ZINC001254657674 1143301148 /nfs/dbraw/zinc/30/11/48/1143301148.db2.gz FAIRSBMEORORCP-UONOGXRCSA-N 2 0 301.438 2.234 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001340882338 1143480559 /nfs/dbraw/zinc/48/05/59/1143480559.db2.gz XTAYWBDDYOJBGR-NJAFHUGGSA-N 2 0 315.461 2.449 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccc(CC)cc1 ZINC001340924214 1143497709 /nfs/dbraw/zinc/49/77/09/1143497709.db2.gz XVYXHRICESZSPQ-MSOLQXFVSA-N 2 0 315.461 2.406 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC001341664716 1143657194 /nfs/dbraw/zinc/65/71/94/1143657194.db2.gz DMCPEWOWMCFTSR-JKSUJKDBSA-N 2 0 321.852 2.497 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001278911776 1143830291 /nfs/dbraw/zinc/83/02/91/1143830291.db2.gz DYGPGFRQQOZFJD-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001263863774 1144415828 /nfs/dbraw/zinc/41/58/28/1144415828.db2.gz DGWFPIAFKDCXHZ-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001265670872 1144725643 /nfs/dbraw/zinc/72/56/43/1144725643.db2.gz WQJLHCQSJKLFLQ-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001266041452 1144798899 /nfs/dbraw/zinc/79/88/99/1144798899.db2.gz VRJWKCCBHFBDSN-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279387904 1144821590 /nfs/dbraw/zinc/82/15/90/1144821590.db2.gz FBVNQPKRDRDYSG-BDXSIMOUSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001280355236 1144836490 /nfs/dbraw/zinc/83/64/90/1144836490.db2.gz ZLKUQQQOJFBJGU-MRXNPFEDSA-N 2 0 315.461 2.319 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)CCc1nccn1C ZINC001280446598 1144840150 /nfs/dbraw/zinc/84/01/50/1144840150.db2.gz NQWWHPIXCWEIHS-MRXNPFEDSA-N 2 0 318.465 2.290 20 30 DEEDRP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001281833400 1144915733 /nfs/dbraw/zinc/91/57/33/1144915733.db2.gz LFMQVBUQZOBGNX-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001282260701 1145025658 /nfs/dbraw/zinc/02/56/58/1145025658.db2.gz LBEAPBOTJNDYEX-ZGUYJTEBSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001282558126 1145087659 /nfs/dbraw/zinc/08/76/59/1145087659.db2.gz MQQNTBQTGCGXHC-ZWKOTPCHSA-N 2 0 321.509 2.347 20 30 DEEDRP CCCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001282693789 1145129046 /nfs/dbraw/zinc/12/90/46/1145129046.db2.gz RICGLEWQFVQNKJ-RDJZCZTQSA-N 2 0 309.498 2.488 20 30 DEEDRP C#CC[NH2+][C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001283462786 1145446285 /nfs/dbraw/zinc/44/62/85/1145446285.db2.gz JJQQTVOZEGZNHZ-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001283702967 1145601428 /nfs/dbraw/zinc/60/14/28/1145601428.db2.gz PIMRHHSFLSJMEV-FUHWJXTLSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001284789498 1145914887 /nfs/dbraw/zinc/91/48/87/1145914887.db2.gz BZRKHTGEULLURO-OOHWJJMZSA-N 2 0 307.482 2.262 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480656466 1146019067 /nfs/dbraw/zinc/01/90/67/1146019067.db2.gz BTGQTYMELINXIX-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491965898 1147023879 /nfs/dbraw/zinc/02/38/79/1147023879.db2.gz VLWWLYBUJUDZPS-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317327579 1147336614 /nfs/dbraw/zinc/33/66/14/1147336614.db2.gz VSFUVHFZBPMKFK-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001317005536 1147647616 /nfs/dbraw/zinc/64/76/16/1147647616.db2.gz GMYGIOVDAQQYPX-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204303 1147675994 /nfs/dbraw/zinc/67/59/94/1147675994.db2.gz MGFLFQWUKNYBHP-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001317206978 1147676892 /nfs/dbraw/zinc/67/68/92/1147676892.db2.gz HTAGOVRDCGDNIU-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317373929 1147698550 /nfs/dbraw/zinc/69/85/50/1147698550.db2.gz AQLSNBQMZXAAJY-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317436460 1147708234 /nfs/dbraw/zinc/70/82/34/1147708234.db2.gz RMJNJFOURLMNKA-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317509299 1147717656 /nfs/dbraw/zinc/71/76/56/1147717656.db2.gz HTUVVFBDEVIOQJ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317854240 1147757831 /nfs/dbraw/zinc/75/78/31/1147757831.db2.gz OFBGEJZQAABPDC-MRXNPFEDSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC001324746269 1147839584 /nfs/dbraw/zinc/83/95/84/1147839584.db2.gz AAQWTPPYNSNAGV-MRXNPFEDSA-N 2 0 303.406 2.148 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001325466614 1147919409 /nfs/dbraw/zinc/91/94/09/1147919409.db2.gz MOUHAHOXLNEYAP-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001325576077 1147953397 /nfs/dbraw/zinc/95/33/97/1147953397.db2.gz NYPMRKMGZXKJME-QAPCUYQASA-N 2 0 315.461 2.232 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001326271847 1148067548 /nfs/dbraw/zinc/06/75/48/1148067548.db2.gz FDRHZCLATGKRAO-AEFFLSMTSA-N 2 0 319.493 2.123 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001326766707 1148237089 /nfs/dbraw/zinc/23/70/89/1148237089.db2.gz JANFYLCDDSUMHI-MRXNPFEDSA-N 2 0 300.406 2.242 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(C#N)cs2)ccn1 ZINC000136221084 282085197 /nfs/dbraw/zinc/08/51/97/282085197.db2.gz SYSNJINLGPAQHN-UHFFFAOYSA-N 2 0 316.430 2.245 20 30 DEEDRP C[C@H](CCC#N)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000602451872 360379206 /nfs/dbraw/zinc/37/92/06/360379206.db2.gz BJBTUJWCEMIXDX-KZNAEPCWSA-N 2 0 306.498 2.417 20 30 DEEDRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442781609 238075563 /nfs/dbraw/zinc/07/55/63/238075563.db2.gz JKZXMJQGCAWHIW-SJORKVTESA-N 2 0 301.434 2.451 20 30 DEEDRP C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000611392154 361589170 /nfs/dbraw/zinc/58/91/70/361589170.db2.gz MXVNEAWRLIHTSI-DNVCBOLYSA-N 2 0 312.461 2.161 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000130836557 401840024 /nfs/dbraw/zinc/84/00/24/401840024.db2.gz POIPCKHFUANMMW-MRXNPFEDSA-N 2 0 318.465 2.220 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(Cl)c1 ZINC000153393398 402142286 /nfs/dbraw/zinc/14/22/86/402142286.db2.gz GTRIQELOUUHRJN-ZDUSSCGKSA-N 2 0 324.856 2.237 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC1 ZINC000176958991 402354301 /nfs/dbraw/zinc/35/43/01/402354301.db2.gz UYHDHTXFBVBTNE-UHFFFAOYSA-N 2 0 318.490 2.268 20 30 DEEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccccn1 ZINC000170906286 402540333 /nfs/dbraw/zinc/54/03/33/402540333.db2.gz XOURUTFRFRQERC-UHFFFAOYSA-N 2 0 319.478 2.170 20 30 DEEDRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000194260563 402789245 /nfs/dbraw/zinc/78/92/45/402789245.db2.gz AWPYBPNHRDJBMO-APWZRJJASA-N 2 0 314.477 2.481 20 30 DEEDRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000194260545 402789537 /nfs/dbraw/zinc/78/95/37/402789537.db2.gz AWPYBPNHRDJBMO-VQIMIIECSA-N 2 0 314.477 2.481 20 30 DEEDRP C[N@H+](CCCCC#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285512784 403314636 /nfs/dbraw/zinc/31/46/36/403314636.db2.gz RAAMNVJSXUQFDH-UHFFFAOYSA-N 2 0 314.477 2.430 20 30 DEEDRP CN(C)C(=[NH+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000361804672 403874964 /nfs/dbraw/zinc/87/49/64/403874964.db2.gz SZYPGUBMXPQPOA-QGZVFWFLSA-N 2 0 302.466 2.378 20 30 DEEDRP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000330159176 404568562 /nfs/dbraw/zinc/56/85/62/404568562.db2.gz QSFUTOLPNVWIHB-OAHLLOKOSA-N 2 0 323.481 2.054 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357751052 404743102 /nfs/dbraw/zinc/74/31/02/404743102.db2.gz SQEFEJPLVIVAER-HNNXBMFYSA-N 2 0 310.486 2.055 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000357823483 404745497 /nfs/dbraw/zinc/74/54/97/404745497.db2.gz VQRGJMPRZNUYKT-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358797775 404776258 /nfs/dbraw/zinc/77/62/58/404776258.db2.gz XTXQLUZFVYDXRN-CVEARBPZSA-N 2 0 322.497 2.199 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353392383 404820595 /nfs/dbraw/zinc/82/05/95/404820595.db2.gz YQWZLQNNEJHPKJ-DNVCBOLYSA-N 2 0 312.461 2.161 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)C(C)C ZINC000353454966 404835048 /nfs/dbraw/zinc/83/50/48/404835048.db2.gz WXFLYVXKBAOYQG-KSZLIROESA-N 2 0 321.509 2.435 20 30 DEEDRP C=CCNC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000561945212 405952328 /nfs/dbraw/zinc/95/23/28/405952328.db2.gz NILLLAMFOJFFBH-HNNXBMFYSA-N 2 0 321.490 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001328260215 1148756543 /nfs/dbraw/zinc/75/65/43/1148756543.db2.gz RUKIPJARYYJYBU-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000661119987 425328896 /nfs/dbraw/zinc/32/88/96/425328896.db2.gz YMUQGNOJDDQMSJ-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCC[NH2+]1 ZINC000662680726 425710812 /nfs/dbraw/zinc/71/08/12/425710812.db2.gz WNOPUKSREAGWEH-SJLPKXTDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662682506 425712307 /nfs/dbraw/zinc/71/23/07/425712307.db2.gz ILJOIBRTTCRTSH-SFHVURJKSA-N 2 0 307.482 2.313 20 30 DEEDRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353678900 279109331 /nfs/dbraw/zinc/10/93/31/279109331.db2.gz PZPGDBJYPUHDSS-SFHVURJKSA-N 2 0 301.434 2.494 20 30 DEEDRP C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)CN1CC[NH+](C)CC1 ZINC000353430372 279353973 /nfs/dbraw/zinc/35/39/73/279353973.db2.gz WTGFOLATARNCBD-BEFAXECRSA-N 2 0 312.461 2.019 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000264093186 295362130 /nfs/dbraw/zinc/36/21/30/295362130.db2.gz LHNLPAKWSJGUNA-UHFFFAOYSA-N 2 0 318.465 2.364 20 30 DEEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC2=[NH+]CCN2C)C1 ZINC000262683705 533694889 /nfs/dbraw/zinc/69/48/89/533694889.db2.gz XMBXIEZFUGTAEG-OAHLLOKOSA-N 2 0 300.450 2.310 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)CCCC[NH+](C)C)CC1 ZINC001479996101 1151308453 /nfs/dbraw/zinc/30/84/53/1151308453.db2.gz WNWQGBSQEHILQF-UHFFFAOYSA-N 2 0 321.509 2.445 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001329826307 1149000227 /nfs/dbraw/zinc/00/02/27/1149000227.db2.gz YBLZZJMTZPXOOY-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001329862279 1149004999 /nfs/dbraw/zinc/00/49/99/1149004999.db2.gz ZIZPEPDDGZQGPD-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955176 1149023426 /nfs/dbraw/zinc/02/34/26/1149023426.db2.gz ZGKCHODTACIKPP-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001330210463 1149070344 /nfs/dbraw/zinc/07/03/44/1149070344.db2.gz POPDXHXRNCLUJH-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001330297934 1149088371 /nfs/dbraw/zinc/08/83/71/1149088371.db2.gz RJZWNHAECIBDCZ-ZJPYXAASSA-N 2 0 319.493 2.119 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000170906518 534075048 /nfs/dbraw/zinc/07/50/48/534075048.db2.gz RJVRPQRPVQCUPR-UHFFFAOYSA-N 2 0 318.465 2.366 20 30 DEEDRP C[NH+]=C(NCc1sccc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261947045 526393692 /nfs/dbraw/zinc/39/36/92/526393692.db2.gz GFNROBDVXVZFHH-GXTWGEPZSA-N 2 0 306.479 2.204 20 30 DEEDRP CC[NH+](CC)CCOc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1 ZINC000264132036 528152385 /nfs/dbraw/zinc/15/23/85/528152385.db2.gz YGROYZBLSOMLPI-UHFFFAOYSA-N 2 0 320.481 2.386 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000449744110 535674286 /nfs/dbraw/zinc/67/42/86/535674286.db2.gz DWKXXMMZCCWUSR-UHFFFAOYSA-N 2 0 306.479 2.125 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001327940773 1148681372 /nfs/dbraw/zinc/68/13/72/1148681372.db2.gz CUILEXXJRAUWAP-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025267600 625314881 /nfs/dbraw/zinc/31/48/81/625314881.db2.gz QQGQMWSHJFCQEC-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486951 625478552 /nfs/dbraw/zinc/47/85/52/625478552.db2.gz YOFLHRCVBGMBPU-HZPDHXFCSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001026505392 625486636 /nfs/dbraw/zinc/48/66/36/625486636.db2.gz BYHBJJUWNSXKAY-KLAILNCOSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144900 622589437 /nfs/dbraw/zinc/58/94/37/622589437.db2.gz WCDZEKWQYSPZBX-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832840 622942326 /nfs/dbraw/zinc/94/23/26/622942326.db2.gz JWDUBRBUHLMMRX-IRXDYDNUSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970028729 623063051 /nfs/dbraw/zinc/06/30/51/623063051.db2.gz WKOZVMRMKVWIQJ-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020927284 623191334 /nfs/dbraw/zinc/19/13/34/623191334.db2.gz KWBCOUCJIPSCFL-TUVASFSCSA-N 2 0 313.873 2.096 20 30 DEEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970717639 623640224 /nfs/dbraw/zinc/64/02/24/623640224.db2.gz FNWSVJZCIFJBIS-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000970803257 623691052 /nfs/dbraw/zinc/69/10/52/623691052.db2.gz HWQLSCLIRJHPCE-CABCVRRESA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000970803270 623691399 /nfs/dbraw/zinc/69/13/99/623691399.db2.gz HWQLSCLIRJHPCE-HUUCEWRRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666388 623922121 /nfs/dbraw/zinc/92/21/21/623922121.db2.gz TVECMKGIJXJAIF-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739090 624021831 /nfs/dbraw/zinc/02/18/31/624021831.db2.gz GKNQYXFVLAJKDJ-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP 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 625785027 /nfs/dbraw/zinc/78/50/27/625785027.db2.gz ORZYARZXYADDEM-IECFSIQFSA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000999308099 634556694 /nfs/dbraw/zinc/55/66/94/634556694.db2.gz PIOALHIPJUVQAM-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000999669848 634655189 /nfs/dbraw/zinc/65/51/89/634655189.db2.gz BFNALFCWQQBEJC-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974660776 633204965 /nfs/dbraw/zinc/20/49/65/633204965.db2.gz WACIEURZFRANGY-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996479076 633265499 /nfs/dbraw/zinc/26/54/99/633265499.db2.gz VMVWATQYMGOXTK-RDJZCZTQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000996745096 633387044 /nfs/dbraw/zinc/38/70/44/633387044.db2.gz BXDCGFOZGBEDFO-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000996935411 633531765 /nfs/dbraw/zinc/53/17/65/633531765.db2.gz OECSPIFWYNGADO-UHFFFAOYSA-N 2 0 305.422 2.112 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027433189 633774976 /nfs/dbraw/zinc/77/49/76/633774976.db2.gz UOGQPMKOGMXWMH-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027436754 633783424 /nfs/dbraw/zinc/78/34/24/633783424.db2.gz FIIRJNIWDIJUGM-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027547590 634086767 /nfs/dbraw/zinc/08/67/67/634086767.db2.gz TZPDGCKKXMRGFB-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998013178 634111806 /nfs/dbraw/zinc/11/18/06/634111806.db2.gz PTXRAQDSMTYPMH-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP [NH2+]=C(NCC1CCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000104173508 634173576 /nfs/dbraw/zinc/17/35/76/634173576.db2.gz NHRBXTXXHLOKSQ-UHFFFAOYSA-N 2 0 310.511 2.052 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(CC)CC ZINC001027944085 635031911 /nfs/dbraw/zinc/03/19/11/635031911.db2.gz SZXGECOLTKJZAH-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC001000779092 635308092 /nfs/dbraw/zinc/30/80/92/635308092.db2.gz VULPLXBVWIOARN-MRXNPFEDSA-N 2 0 314.433 2.085 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001521826 635521264 /nfs/dbraw/zinc/52/12/64/635521264.db2.gz JTSNHLDAWPEDFF-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001001539606 635525200 /nfs/dbraw/zinc/52/52/00/635525200.db2.gz NQGAOYQTURDREU-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001028144754 635697909 /nfs/dbraw/zinc/69/79/09/635697909.db2.gz BNQDSRQMZMWHKZ-ARFHVFGLSA-N 2 0 316.449 2.070 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002813014 635804577 /nfs/dbraw/zinc/80/45/77/635804577.db2.gz VWUWNYMBZGBOQZ-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982013281 635810609 /nfs/dbraw/zinc/81/06/09/635810609.db2.gz PPMHSZOZQIQLFZ-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC000982042267 635840935 /nfs/dbraw/zinc/84/09/35/635840935.db2.gz JYEFQCOREUWVAM-MRXNPFEDSA-N 2 0 316.449 2.335 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000922098316 635863114 /nfs/dbraw/zinc/86/31/14/635863114.db2.gz JFCUFYGHNCIMBA-UHFFFAOYSA-N 2 0 314.477 2.291 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253922 635964478 /nfs/dbraw/zinc/96/44/78/635964478.db2.gz JHVBVGUHAYQAOZ-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028331751 636132580 /nfs/dbraw/zinc/13/25/80/636132580.db2.gz KJYMXHVTAOMMBS-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@]2(C)C1 ZINC000982672086 636361652 /nfs/dbraw/zinc/36/16/52/636361652.db2.gz RGSYJMSIGAWYPE-KDURUIRLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642925 636517511 /nfs/dbraw/zinc/51/75/11/636517511.db2.gz VXEPOJHVBRBMNM-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]C(C)C)CC1 ZINC001005006828 636633159 /nfs/dbraw/zinc/63/31/59/636633159.db2.gz ZTEZZRRCJMBKDM-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946809159 636664141 /nfs/dbraw/zinc/66/41/41/636664141.db2.gz XEJSMBQISZUCKQ-HDICACEKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005664376 636810791 /nfs/dbraw/zinc/81/07/91/636810791.db2.gz OFSWGTDSCUOFID-UHFFFAOYSA-N 2 0 312.417 2.447 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006292820 637331720 /nfs/dbraw/zinc/33/17/20/637331720.db2.gz UTMOACSGYDZWJI-FUHWJXTLSA-N 2 0 319.493 2.053 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000303775991 639443099 /nfs/dbraw/zinc/44/30/99/639443099.db2.gz HIXYVCOKJTZIMF-KRWDZBQOSA-N 2 0 318.465 2.332 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956113 640024411 /nfs/dbraw/zinc/02/44/11/640024411.db2.gz JUEYZZHTDUFHEG-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000987330815 640168653 /nfs/dbraw/zinc/16/86/53/640168653.db2.gz VSUBHPMOLCZGPB-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000764462594 640640065 /nfs/dbraw/zinc/64/00/65/640640065.db2.gz SAQMTNQDCJSLAC-HNNXBMFYSA-N 2 0 321.490 2.194 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433507 641207651 /nfs/dbraw/zinc/20/76/51/641207651.db2.gz KQTYDZXCYXEXEG-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000989743384 641217272 /nfs/dbraw/zinc/21/72/72/641217272.db2.gz NPCQYOSIAAMUJJ-KRWDZBQOSA-N 2 0 301.434 2.010 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000730064508 641448527 /nfs/dbraw/zinc/44/85/27/641448527.db2.gz FDXVVFXXGFMENN-MRXNPFEDSA-N 2 0 322.497 2.201 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000900457565 642376983 /nfs/dbraw/zinc/37/69/83/642376983.db2.gz YEWGOXRLSMVNGY-UHFFFAOYSA-N 2 0 305.422 2.073 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000900655410 642435244 /nfs/dbraw/zinc/43/52/44/642435244.db2.gz IZNHYXCSXHDDDT-MRXNPFEDSA-N 2 0 303.450 2.131 20 30 DEEDRP C[C@@H]1CNC(NN=CC(C)(C)C[N@H+](C)Cc2ccccc2)=[NH+]1 ZINC000779791181 642538294 /nfs/dbraw/zinc/53/82/94/642538294.db2.gz GOXQTZNUQRUDBV-CQSZACIVSA-N 2 0 301.438 2.068 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000901233438 642601355 /nfs/dbraw/zinc/60/13/55/642601355.db2.gz LYKUPKIBLFSJAT-SJORKVTESA-N 2 0 301.434 2.056 20 30 DEEDRP C[C@@H]1[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1C ZINC000903301384 643310648 /nfs/dbraw/zinc/31/06/48/643310648.db2.gz QGYASKCOCPBQGU-BEFAXECRSA-N 2 0 312.461 2.205 20 30 DEEDRP C=CC[N@@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000792193430 644087451 /nfs/dbraw/zinc/08/74/51/644087451.db2.gz VLXJJXBOHMWXDI-UHFFFAOYSA-N 2 0 303.450 2.073 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000913100097 646268731 /nfs/dbraw/zinc/26/87/31/646268731.db2.gz PMWUPVBDOGKSSI-QAPCUYQASA-N 2 0 315.461 2.131 20 30 DEEDRP [NH2+]=C(NCc1cccc(C[NH+]2CCCC2)c1)NCC1CCC1 ZINC000170911800 646675028 /nfs/dbraw/zinc/67/50/28/646675028.db2.gz OGRMMRLZIHTEML-UHFFFAOYSA-N 2 0 300.450 2.487 20 30 DEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991866046 646675963 /nfs/dbraw/zinc/67/59/63/646675963.db2.gz ZFXPDDWQTOUYDE-IEBWSBKVSA-N 2 0 322.412 2.084 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000813531682 646782965 /nfs/dbraw/zinc/78/29/65/646782965.db2.gz LWAAGHGJDNCQJB-DOTOQJQBSA-N 2 0 303.450 2.220 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000992770125 647236303 /nfs/dbraw/zinc/23/63/03/647236303.db2.gz LYUCLHLANJIQGO-BMGDILEWSA-N 2 0 324.428 2.351 20 30 DEEDRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000818989587 647559046 /nfs/dbraw/zinc/55/90/46/647559046.db2.gz AARXRQNVSCCQCK-GOSISDBHSA-N 2 0 301.434 2.303 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994128950 647791076 /nfs/dbraw/zinc/79/10/76/647791076.db2.gz FDPUHYHRNNXRCZ-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947883134 648588890 /nfs/dbraw/zinc/58/88/90/648588890.db2.gz YYFIFVAKDXTQFH-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000939318059 648628772 /nfs/dbraw/zinc/62/87/72/648628772.db2.gz ZUBNPLTURXPZNG-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939448639 648652916 /nfs/dbraw/zinc/65/29/16/648652916.db2.gz SJMUMYYYVZOAPI-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745720 648932940 /nfs/dbraw/zinc/93/29/40/648932940.db2.gz SVRRKAOZDCWSPG-SJORKVTESA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372288 649096480 /nfs/dbraw/zinc/09/64/80/649096480.db2.gz BHNIIZPLDFJNEN-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598437 649257176 /nfs/dbraw/zinc/25/71/76/649257176.db2.gz XNBJSBVVDYSIRS-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373292656 1156940200 /nfs/dbraw/zinc/94/02/00/1156940200.db2.gz MIXKATKTSWLQGF-LSDHHAIUSA-N 2 0 315.889 2.105 20 30 DEEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCCCC1 ZINC000304753604 685260003 /nfs/dbraw/zinc/26/00/03/685260003.db2.gz LEPNFXVGUFZIID-QGZVFWFLSA-N 2 0 300.450 2.452 20 30 DEEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304757658 685260164 /nfs/dbraw/zinc/26/01/64/685260164.db2.gz PBHMBAHOCQXRSE-QGZVFWFLSA-N 2 0 324.513 2.362 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304781494 685261177 /nfs/dbraw/zinc/26/11/77/685261177.db2.gz GITKTWUBPKABPB-DOTOQJQBSA-N 2 0 302.466 2.487 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1C ZINC000304813451 685262244 /nfs/dbraw/zinc/26/22/44/685262244.db2.gz YZGUCZHSEAIORY-CVEARBPZSA-N 2 0 318.465 2.151 20 30 DEEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000104181347 684059318 /nfs/dbraw/zinc/05/93/18/684059318.db2.gz CXKZOQBJTCCMRZ-MRXNPFEDSA-N 2 0 302.466 2.254 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1Cc2ccccc2C1 ZINC000158317711 684297104 /nfs/dbraw/zinc/29/71/04/684297104.db2.gz TTZIPIJUSVJQFE-GOSISDBHSA-N 2 0 314.477 2.180 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054177651 693872768 /nfs/dbraw/zinc/87/27/68/693872768.db2.gz PLSVTOPQHQNHPF-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000303768139 685233190 /nfs/dbraw/zinc/23/31/90/685233190.db2.gz ACBZNWOZRNIKTB-QGZVFWFLSA-N 2 0 318.465 2.332 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000303773163 685234208 /nfs/dbraw/zinc/23/42/08/685234208.db2.gz FDSMQEDFDDPQRI-ZDUSSCGKSA-N 2 0 322.453 2.407 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)cc1Cl ZINC000303884885 685237360 /nfs/dbraw/zinc/23/73/60/685237360.db2.gz MWPJOPNLDVIPLL-ZDUSSCGKSA-N 2 0 310.829 2.415 20 30 DEEDRP CC(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000303896658 685239117 /nfs/dbraw/zinc/23/91/17/685239117.db2.gz QCKBDYJLBJFHIB-UHFFFAOYSA-N 2 0 302.466 2.384 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001054722431 694032729 /nfs/dbraw/zinc/03/27/29/694032729.db2.gz QIDCBXLOYNZGAG-OCCSQVGLSA-N 2 0 307.463 2.046 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001054826560 694054448 /nfs/dbraw/zinc/05/44/48/694054448.db2.gz MPPFFESWVYUMRU-ZBFHGGJFSA-N 2 0 307.482 2.262 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CCC(C#N)CC1 ZINC000930062746 694081752 /nfs/dbraw/zinc/08/17/52/694081752.db2.gz YHTBNGHCPXLAOF-ILEACXBISA-N 2 0 305.466 2.500 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016710045 687687726 /nfs/dbraw/zinc/68/77/26/687687726.db2.gz PQCJUGBQFUCESY-QGZVFWFLSA-N 2 0 324.428 2.495 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016828195 687711884 /nfs/dbraw/zinc/71/18/84/687711884.db2.gz DLOTVFPLKGBYDT-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001017613656 687924294 /nfs/dbraw/zinc/92/42/94/687924294.db2.gz AYYJHOBCTFEJBB-IYBDPMFKSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031672524 688978034 /nfs/dbraw/zinc/97/80/34/688978034.db2.gz IXJXYXUEYVIZFL-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877596 689648235 /nfs/dbraw/zinc/64/82/35/689648235.db2.gz KJALIUFFIVVGDG-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034008174 689690762 /nfs/dbraw/zinc/69/07/62/689690762.db2.gz SJUXRRGPGZTSFF-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290427 689797150 /nfs/dbraw/zinc/79/71/50/689797150.db2.gz GHPOIBPWQWOEJJ-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000876503486 689841479 /nfs/dbraw/zinc/84/14/79/689841479.db2.gz KZFSPXVORSDYHO-INIZCTEOSA-N 2 0 321.852 2.191 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034538513 689891049 /nfs/dbraw/zinc/89/10/49/689891049.db2.gz NZMCNYVMJVUGMW-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000876740344 689922999 /nfs/dbraw/zinc/92/29/99/689922999.db2.gz LTCQWBBZOOHOKU-KBPBESRZSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000876916726 689972365 /nfs/dbraw/zinc/97/23/65/689972365.db2.gz ZDDDQGXMISTVLT-JTQLQIEISA-N 2 0 314.842 2.019 20 30 DEEDRP CC(C)[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000877200156 690043842 /nfs/dbraw/zinc/04/38/42/690043842.db2.gz GYKPONPVBUBXQS-MRXNPFEDSA-N 2 0 308.470 2.024 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035196239 690056456 /nfs/dbraw/zinc/05/64/56/690056456.db2.gz ZACRELXAGMHSFC-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035247272 690072392 /nfs/dbraw/zinc/07/23/92/690072392.db2.gz VNUCAHGOPYHMOX-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000877520148 690139258 /nfs/dbraw/zinc/13/92/58/690139258.db2.gz OTGJFIWMSYBDFI-AYHJJNSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035708619 690157248 /nfs/dbraw/zinc/15/72/48/690157248.db2.gz XUWRXPCVPGEPJL-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035732574 690163780 /nfs/dbraw/zinc/16/37/80/690163780.db2.gz DZDJDWVYFUWQHA-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP COCC[N@@H+](Cc1ccc(C#N)c(F)c1)CC1CC[NH+](C)CC1 ZINC000877663870 690182779 /nfs/dbraw/zinc/18/27/79/690182779.db2.gz CFTMUBIVZKTXFE-UHFFFAOYSA-N 2 0 319.424 2.488 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001036084281 690256346 /nfs/dbraw/zinc/25/63/46/690256346.db2.gz PSDCVWXVRRTLMD-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001036136237 690271734 /nfs/dbraw/zinc/27/17/34/690271734.db2.gz HVTKVGOHYIYHJM-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037925085 690641826 /nfs/dbraw/zinc/64/18/26/690641826.db2.gz JYVGBQLCMHQSCJ-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038701027 690900827 /nfs/dbraw/zinc/90/08/27/690900827.db2.gz UTSIUASWDWTGPD-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038905749 690962097 /nfs/dbraw/zinc/96/20/97/690962097.db2.gz QZTQGCZVLOFLEQ-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137109 691030549 /nfs/dbraw/zinc/03/05/49/691030549.db2.gz MKKNHEHGDBNQBO-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039136673 691030981 /nfs/dbraw/zinc/03/09/81/691030981.db2.gz NGYKCYSGTBCILK-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140455 691031406 /nfs/dbraw/zinc/03/14/06/691031406.db2.gz VGTYGOBBBRZVAZ-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001039297860 691076843 /nfs/dbraw/zinc/07/68/43/691076843.db2.gz BYIMPZIELXZZOF-XYTVBORESA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040211732 691214482 /nfs/dbraw/zinc/21/44/82/691214482.db2.gz YXPNETCOAWNONE-SCTDSRPQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040241560 691219252 /nfs/dbraw/zinc/21/92/52/691219252.db2.gz PDKHARCWYJAAFW-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040746752 691284722 /nfs/dbraw/zinc/28/47/22/691284722.db2.gz GZJYLMYSLUMSJE-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358894 691367331 /nfs/dbraw/zinc/36/73/31/691367331.db2.gz RGHINESMZAACDA-HKUYNNGSSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041373802 691368091 /nfs/dbraw/zinc/36/80/91/691368091.db2.gz XSKJRRVEJWJPHN-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041380555 691370121 /nfs/dbraw/zinc/37/01/21/691370121.db2.gz ZUARFIPDHLYSRN-FUHWJXTLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598767 691398972 /nfs/dbraw/zinc/39/89/72/691398972.db2.gz CFHFNXDQBSSOKV-JENIJYKNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042122415 691513989 /nfs/dbraw/zinc/51/39/89/691513989.db2.gz NHRUOOCBUAHJEX-QAPCUYQASA-N 2 0 324.428 2.365 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044734967 691879520 /nfs/dbraw/zinc/87/95/20/691879520.db2.gz YJUXAIMEXFSSPG-HIFRSBDPSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045616708 692006181 /nfs/dbraw/zinc/00/61/81/692006181.db2.gz FFLUFNNNKMKXIA-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP 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 692654257 /nfs/dbraw/zinc/65/42/57/692654257.db2.gz JVROGCDYOKIHKF-FJIDUMEYSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001049234055 692796558 /nfs/dbraw/zinc/79/65/58/692796558.db2.gz XJIUIYVKOZCUIG-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049724811 692977044 /nfs/dbraw/zinc/97/70/44/692977044.db2.gz UCCDVLMJLVWWSU-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049898045 693040613 /nfs/dbraw/zinc/04/06/13/693040613.db2.gz WKXDIHXWFWGHFR-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001050765628 693247050 /nfs/dbraw/zinc/24/70/50/693247050.db2.gz UBXHZQMNIURHJP-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052444611 693536481 /nfs/dbraw/zinc/53/64/81/693536481.db2.gz GSEDQDOISGBPAX-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052446300 693537095 /nfs/dbraw/zinc/53/70/95/693537095.db2.gz YNNLKVBNIOHOJQ-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052712522 693600834 /nfs/dbraw/zinc/60/08/34/693600834.db2.gz JPNGEHSCSGJQBQ-UKRRQHHQSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052859272 693634958 /nfs/dbraw/zinc/63/49/58/693634958.db2.gz KRDAKAYAQCYJAS-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001333141915 1150006263 /nfs/dbraw/zinc/00/62/63/1150006263.db2.gz QZAHEZNGBYQTAY-ABHNRTSZSA-N 2 0 315.461 2.444 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001392074091 1156862501 /nfs/dbraw/zinc/86/25/01/1156862501.db2.gz JBOUEZUVHWRZQN-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001568438709 1157417991 /nfs/dbraw/zinc/41/79/91/1157417991.db2.gz QYTAMEAVWKCDGP-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001376621890 1159608012 /nfs/dbraw/zinc/60/80/12/1159608012.db2.gz VUGGVPHWMKNDIN-CQSZACIVSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001376936415 1159850918 /nfs/dbraw/zinc/85/09/18/1159850918.db2.gz OUMDSZKRLNQUDU-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001399389233 1161374656 /nfs/dbraw/zinc/37/46/56/1161374656.db2.gz MNDXXEMVUJQPHQ-LSDHHAIUSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001407688195 1165257056 /nfs/dbraw/zinc/25/70/56/1165257056.db2.gz GQJWTHMWVGNJHA-KKUMJFAQSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001418160754 1167450117 /nfs/dbraw/zinc/45/01/17/1167450117.db2.gz CRCUKHCOHWBKBB-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001422494243 1172647519 /nfs/dbraw/zinc/64/75/19/1172647519.db2.gz ZGORVOSFBPRWAH-CYBMUJFWSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436498384 1179152233 /nfs/dbraw/zinc/15/22/33/1179152233.db2.gz JHIQFUHJVQMJIC-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001437847523 1180028626 /nfs/dbraw/zinc/02/86/26/1180028626.db2.gz GHTOYGLMXCFZHU-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001439676463 1181195340 /nfs/dbraw/zinc/19/53/40/1181195340.db2.gz MFNZRZANQQYZBS-AWEZNQCLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886192 790287682 /nfs/dbraw/zinc/28/76/82/790287682.db2.gz JOESZWSBHIXPQO-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001333193341 1150013672 /nfs/dbraw/zinc/01/36/72/1150013672.db2.gz RFOSFKHOHJOBHT-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1C ZINC000947435684 783134940 /nfs/dbraw/zinc/13/49/40/783134940.db2.gz BGQCGZCJMKXLNE-HOTGVXAUSA-N 2 0 318.465 2.472 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536258 783188959 /nfs/dbraw/zinc/18/89/59/783188959.db2.gz ANHFELMVAHAGSL-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208603545 776597552 /nfs/dbraw/zinc/59/75/52/776597552.db2.gz DIEDNIOYGDSKRY-INIZCTEOSA-N 2 0 321.465 2.049 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240389 776792823 /nfs/dbraw/zinc/79/28/23/776792823.db2.gz KGPSUDSYKQZOSL-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425125 777018709 /nfs/dbraw/zinc/01/87/09/777018709.db2.gz CALQPJAPUMJUQN-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682577 778020800 /nfs/dbraw/zinc/02/08/00/778020800.db2.gz WQOQFWUUAHNCPH-HZPDHXFCSA-N 2 0 309.498 2.225 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC001104738492 778056058 /nfs/dbraw/zinc/05/60/58/778056058.db2.gz XUNVFJDSAFHMSJ-BRWVUGGUSA-N 2 0 318.465 2.485 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713433 778759718 /nfs/dbraw/zinc/75/97/18/778759718.db2.gz LHFVOWARDBPBEX-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602620 779375075 /nfs/dbraw/zinc/37/50/75/779375075.db2.gz WSFPMGKXXBXIDN-YESZJQIVSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634606 779387489 /nfs/dbraw/zinc/38/74/89/779387489.db2.gz JUOLRBPYENXWAR-DLBZAZTESA-N 2 0 312.417 2.411 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088326644 779957829 /nfs/dbraw/zinc/95/78/29/779957829.db2.gz UKFFMYXQGKERMP-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001088341851 779994024 /nfs/dbraw/zinc/99/40/24/779994024.db2.gz SKRRLFSSBJGFNG-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352903 780014420 /nfs/dbraw/zinc/01/44/20/780014420.db2.gz MAQXIEBXQOGYNK-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101441187 780078638 /nfs/dbraw/zinc/07/86/38/780078638.db2.gz NAZALNUMCFKGHR-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001088429958 780113769 /nfs/dbraw/zinc/11/37/69/780113769.db2.gz DZGSEVHANPTTMP-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768916 780969113 /nfs/dbraw/zinc/96/91/13/780969113.db2.gz JVPTZEBMFXXXCG-PVAVHDDUSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091112234 790910881 /nfs/dbraw/zinc/91/08/81/790910881.db2.gz MMVDKIURUHHPOQ-JCYILVPMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085638878 783914483 /nfs/dbraw/zinc/91/44/83/783914483.db2.gz CEXZOVYRPOAZDI-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968867057 784626751 /nfs/dbraw/zinc/62/67/51/784626751.db2.gz RCBCFFLKUPGQGG-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086400099 784672561 /nfs/dbraw/zinc/67/25/61/784672561.db2.gz VZFDREUMDXKIFS-QAETUUGQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086504976 784800223 /nfs/dbraw/zinc/80/02/23/784800223.db2.gz ABHULLVLHSJBRX-SAABIXHNSA-N 2 0 315.461 2.422 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368335 784900862 /nfs/dbraw/zinc/90/08/62/784900862.db2.gz FXZRLAVBTUADNW-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823316 785564039 /nfs/dbraw/zinc/56/40/39/785564039.db2.gz KWUJRJSDHDAJHP-KSZLIROESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001086530339 785661677 /nfs/dbraw/zinc/66/16/77/785661677.db2.gz UBLUNQMGSMGFON-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109555276 785930760 /nfs/dbraw/zinc/93/07/60/785930760.db2.gz JWPJYXLWUZBALQ-IKGGRYGDSA-N 2 0 319.493 2.406 20 30 DEEDRP 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 786088517 /nfs/dbraw/zinc/08/85/17/786088517.db2.gz LZYRQILQHFZDEX-VSZNYVQBSA-N 2 0 319.493 2.098 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112837806 786250288 /nfs/dbraw/zinc/25/02/88/786250288.db2.gz WGPSEJNBOWZHLH-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001113257655 786478675 /nfs/dbraw/zinc/47/86/75/786478675.db2.gz DTYZYGNGOUTDNS-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113536247 786666835 /nfs/dbraw/zinc/66/68/35/786666835.db2.gz KCIOFAZKSLDTCY-KRWDZBQOSA-N 2 0 309.498 2.443 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203332120 786823758 /nfs/dbraw/zinc/82/37/58/786823758.db2.gz LMMDJAURZVPCTM-IRXDYDNUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015377572 787022329 /nfs/dbraw/zinc/02/23/29/787022329.db2.gz QLZVDZKLLRBYNB-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114299854 787204047 /nfs/dbraw/zinc/20/40/47/787204047.db2.gz YQCJTFVWYOEZHU-DZVNLGKHSA-N 2 0 319.493 2.119 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210585 787965504 /nfs/dbraw/zinc/96/55/04/787965504.db2.gz IGQZGBDGOYGNCQ-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC001097590836 788141761 /nfs/dbraw/zinc/14/17/61/788141761.db2.gz LPCCHDRJNPWEKZ-KURKYZTESA-N 2 0 322.412 2.393 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133068824 788273099 /nfs/dbraw/zinc/27/30/99/788273099.db2.gz LPOMIBDTFIQNSC-SJORKVTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133084479 788276613 /nfs/dbraw/zinc/27/66/13/788276613.db2.gz STSBWDZDSWYNEX-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133197541 788314219 /nfs/dbraw/zinc/31/42/19/788314219.db2.gz ZLUFUOSWRIUJIH-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345929 788375341 /nfs/dbraw/zinc/37/53/41/788375341.db2.gz IHABEUKTCLYWJQ-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170872520 789567217 /nfs/dbraw/zinc/56/72/17/789567217.db2.gz XQJLYQWIIPGPCS-YESZJQIVSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974658 789585871 /nfs/dbraw/zinc/58/58/71/789585871.db2.gz SNAVTDOIVOYWFW-ZIAGYGMSSA-N 2 0 303.878 2.344 20 30 DEEDRP C/C(=N\[S@](=O)C(C)(C)C)c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170902055 789646326 /nfs/dbraw/zinc/64/63/26/789646326.db2.gz AMBFKCAWNMSOJT-MGCHRZIZSA-N 2 0 324.494 2.393 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071973229 789994623 /nfs/dbraw/zinc/99/46/23/789994623.db2.gz FLBBTTYJMQPHST-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072811800 790255945 /nfs/dbraw/zinc/25/59/45/790255945.db2.gz HLCSZTRUXWTFCD-KRWDZBQOSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146702438 791336014 /nfs/dbraw/zinc/33/60/14/791336014.db2.gz WNQKXUMSAGEWRO-LSDHHAIUSA-N 2 0 319.449 2.241 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001146706224 791344242 /nfs/dbraw/zinc/34/42/42/791344242.db2.gz BNXNABLZNJIVMJ-SJORKVTESA-N 2 0 315.461 2.015 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001146706536 791344309 /nfs/dbraw/zinc/34/43/09/791344309.db2.gz GKXRXGSVXJFETE-SJORKVTESA-N 2 0 315.461 2.015 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147657908 791590494 /nfs/dbraw/zinc/59/04/94/791590494.db2.gz HCUXTCAARLVLMJ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051192 791670276 /nfs/dbraw/zinc/67/02/76/791670276.db2.gz BOALCESLANGACO-UHFFFAOYSA-N 2 0 304.438 2.213 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC001091716558 791742592 /nfs/dbraw/zinc/74/25/92/791742592.db2.gz SGAYOQMCRGDVMO-AOIWGVFYSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[N@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590402 791778275 /nfs/dbraw/zinc/77/82/75/791778275.db2.gz DQLPYJKGCSFEQL-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807845 791884528 /nfs/dbraw/zinc/88/45/28/791884528.db2.gz RZKKXHHPEVNQPI-BEFAXECRSA-N 2 0 324.428 2.223 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059530 792066898 /nfs/dbraw/zinc/06/68/98/792066898.db2.gz KXTFMEPGDNHUEK-AOIWGVFYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001092762646 792126217 /nfs/dbraw/zinc/12/62/17/792126217.db2.gz GNSDIFJTPXPMSX-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001099321361 792170281 /nfs/dbraw/zinc/17/02/81/792170281.db2.gz VKABONZHFXZQIT-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099553882 792239376 /nfs/dbraw/zinc/23/93/76/792239376.db2.gz WLSLEGYJGVLOKE-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 792240216 /nfs/dbraw/zinc/24/02/16/792240216.db2.gz VRAPZZXNQCDTMT-FJIDUMEYSA-N 2 0 319.493 2.072 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243563 793083601 /nfs/dbraw/zinc/08/36/01/793083601.db2.gz MWHOUUCWIWXIMD-MTNOOBJLSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101361908 793134033 /nfs/dbraw/zinc/13/40/33/793134033.db2.gz LBDUFAZPBGTPBX-AOIWGVFYSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101430007 793156590 /nfs/dbraw/zinc/15/65/90/793156590.db2.gz KILTYYNTIJCHJA-LMMKCTJWSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001101574896 793240544 /nfs/dbraw/zinc/24/05/44/793240544.db2.gz IXYDKIMAHZIFQF-INIZCTEOSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102044789 793486047 /nfs/dbraw/zinc/48/60/47/793486047.db2.gz FNQSSNPLZZBUNG-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475383 793625469 /nfs/dbraw/zinc/62/54/69/793625469.db2.gz LZJILPBAKSITQE-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650672 794041929 /nfs/dbraw/zinc/04/19/29/794041929.db2.gz SUGXEBFKCJQEHH-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001174882809 794082160 /nfs/dbraw/zinc/08/21/60/794082160.db2.gz XNQVEIABMWPJEN-ROUUACIJSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438650 794092816 /nfs/dbraw/zinc/09/28/16/794092816.db2.gz URJILEKUFGPCMC-HZPDHXFCSA-N 2 0 309.498 2.225 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103445137 794096081 /nfs/dbraw/zinc/09/60/81/794096081.db2.gz ZQKNSAIWVVBUPN-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042995 794127746 /nfs/dbraw/zinc/12/77/46/794127746.db2.gz YYSQNLDODJYTLJ-CQSZACIVSA-N 2 0 315.889 2.345 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001175218887 794161414 /nfs/dbraw/zinc/16/14/14/794161414.db2.gz WVQPHGIKMHMXFF-SJORKVTESA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263464 794171955 /nfs/dbraw/zinc/17/19/55/794171955.db2.gz PXIXXBQQTHCJRI-HIFRSBDPSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001111658575 794450325 /nfs/dbraw/zinc/45/03/25/794450325.db2.gz GQNVKFPHFDLKTA-BQFCYCMXSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001112425629 794631457 /nfs/dbraw/zinc/63/14/57/794631457.db2.gz UPMAWBUOMMBART-JZXOWHBKSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317945 794639913 /nfs/dbraw/zinc/63/99/13/794639913.db2.gz OGTVGGNLEYXSGR-UHFFFAOYSA-N 2 0 307.438 2.407 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177481398 794679100 /nfs/dbraw/zinc/67/91/00/794679100.db2.gz UHJKLHWLIKXAHU-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](CCC)CCC ZINC001115110981 794681786 /nfs/dbraw/zinc/68/17/86/794681786.db2.gz HXDRYRJNQIWDKJ-VQFNDLOPSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729683 794898198 /nfs/dbraw/zinc/89/81/98/794898198.db2.gz PFCBPWNSDHHITN-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001115759372 794910301 /nfs/dbraw/zinc/91/03/01/794910301.db2.gz APHKSYDYTDNUQP-QGZVFWFLSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178527541 794941185 /nfs/dbraw/zinc/94/11/85/794941185.db2.gz ODHAHJDELKOPTH-DLBZAZTESA-N 2 0 307.482 2.006 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001178811387 795002505 /nfs/dbraw/zinc/00/25/05/795002505.db2.gz UEARESFVMZLCBD-ZWKOTPCHSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001179353135 795097778 /nfs/dbraw/zinc/09/77/78/795097778.db2.gz ASGPUCNLSGQWSL-QGZVFWFLSA-N 2 0 307.482 2.008 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)[C@H]1C ZINC001179688710 795152985 /nfs/dbraw/zinc/15/29/85/795152985.db2.gz FPCVGRWNFIOBRG-YCPHGPKFSA-N 2 0 304.438 2.134 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001179779535 795169722 /nfs/dbraw/zinc/16/97/22/795169722.db2.gz RBNYKFILPZRDSK-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272997 795268798 /nfs/dbraw/zinc/26/87/98/795268798.db2.gz SAYCXKPPCKPCMU-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180900057 795387531 /nfs/dbraw/zinc/38/75/31/795387531.db2.gz UGYCJKCOLJFLJY-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120448884 795462315 /nfs/dbraw/zinc/46/23/15/795462315.db2.gz HYPPAFYAWXUTCH-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001182018450 795595391 /nfs/dbraw/zinc/59/53/91/795595391.db2.gz LJUBZBIENIGGEI-RDTXWAMCSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121238467 795606674 /nfs/dbraw/zinc/60/66/74/795606674.db2.gz PTUTVSMHWJMLAJ-UHFFFAOYSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121935107 795707068 /nfs/dbraw/zinc/70/70/68/795707068.db2.gz HIUUZVLPYPSRIJ-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC001122033036 795719440 /nfs/dbraw/zinc/71/94/40/795719440.db2.gz BBDCMFRUFCTKSD-HNNXBMFYSA-N 2 0 309.479 2.322 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001182823314 795761832 /nfs/dbraw/zinc/76/18/32/795761832.db2.gz WBMCYVKJYYIVLN-VQIMIIECSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001183510298 795883346 /nfs/dbraw/zinc/88/33/46/795883346.db2.gz UDTDPRHJVJNHAC-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628030 796095185 /nfs/dbraw/zinc/09/51/85/796095185.db2.gz DFTOPSLQDGZEKE-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185090829 796178773 /nfs/dbraw/zinc/17/87/73/796178773.db2.gz NSWAFOWLHMCEKN-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185348487 796236169 /nfs/dbraw/zinc/23/61/69/796236169.db2.gz QAUBENFMIVLOPF-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185445161 796258745 /nfs/dbraw/zinc/25/87/45/796258745.db2.gz FFWOZRAVMUSERU-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185528165 796278495 /nfs/dbraw/zinc/27/84/95/796278495.db2.gz YAXWRDSMOFHAPP-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275734 797697330 /nfs/dbraw/zinc/69/73/30/797697330.db2.gz XOENUWHJHFOYQJ-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246930 797699543 /nfs/dbraw/zinc/69/95/43/797699543.db2.gz TUUSPAHWCYEWEC-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082654 798339508 /nfs/dbraw/zinc/33/95/08/798339508.db2.gz HSRIPRZEOWYHEG-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186502 798355688 /nfs/dbraw/zinc/35/56/88/798355688.db2.gz SCZLQWXLBFYGMI-QGZVFWFLSA-N 2 0 324.428 2.284 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115153780 798444751 /nfs/dbraw/zinc/44/47/51/798444751.db2.gz ARLJSVWJFYFHPQ-LISAXSMJSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnccc1N1CCCC1 ZINC001199371294 798476088 /nfs/dbraw/zinc/47/60/88/798476088.db2.gz QDMAKRNBEVXHHG-HNNXBMFYSA-N 2 0 314.433 2.062 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360637 798678935 /nfs/dbraw/zinc/67/89/35/798678935.db2.gz TZJYQDSFRKWUJV-SFHVURJKSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160519240 798698897 /nfs/dbraw/zinc/69/88/97/798698897.db2.gz XIPGNJBKWIDDQM-UHFFFAOYSA-N 2 0 307.482 2.431 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593445 798710371 /nfs/dbraw/zinc/71/03/71/798710371.db2.gz TZYFCOQPJBAMGV-UHFFFAOYSA-N 2 0 317.477 2.329 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617063 798711792 /nfs/dbraw/zinc/71/17/92/798711792.db2.gz DXRRBEVQDJTRSZ-UHFFFAOYSA-N 2 0 322.412 2.110 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160951530 798769057 /nfs/dbraw/zinc/76/90/57/798769057.db2.gz FZFUWAKXUZOANS-HNNXBMFYSA-N 2 0 311.433 2.051 20 30 DEEDRP COc1cccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1C#N ZINC001201666614 798780651 /nfs/dbraw/zinc/78/06/51/798780651.db2.gz DWMALICNBOQUPB-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161030116 798782758 /nfs/dbraw/zinc/78/27/58/798782758.db2.gz WWSPYYXHPQAAMY-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP CCCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001201776787 798801189 /nfs/dbraw/zinc/80/11/89/798801189.db2.gz LJCVRKUEPMPCRV-UHFFFAOYSA-N 2 0 320.481 2.481 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161207245 798809151 /nfs/dbraw/zinc/80/91/51/798809151.db2.gz RFUGWFVLZFFFPF-KRWDZBQOSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161446075 798861156 /nfs/dbraw/zinc/86/11/56/798861156.db2.gz WKGDKSMEPKWUNJ-MSOLQXFVSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161734270 798925776 /nfs/dbraw/zinc/92/57/76/798925776.db2.gz XCEWILGBKVPDTF-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161863997 798951626 /nfs/dbraw/zinc/95/16/26/798951626.db2.gz UJPOWTIAOGDRGU-AWEZNQCLSA-N 2 0 300.406 2.399 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncc1C)C2 ZINC001110817193 799044016 /nfs/dbraw/zinc/04/40/16/799044016.db2.gz QYCIUACIXNIKOW-DZUCGIPZSA-N 2 0 316.449 2.268 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163231904 799284549 /nfs/dbraw/zinc/28/45/49/799284549.db2.gz JOQIFGDSKRXDAJ-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424208 799589124 /nfs/dbraw/zinc/58/91/24/799589124.db2.gz IMBORPSUAPJCMQ-BDXSIMOUSA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165471859 799734723 /nfs/dbraw/zinc/73/47/23/799734723.db2.gz BYVBAFOEACEXNN-KRWDZBQOSA-N 2 0 321.509 2.417 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203421175 800044376 /nfs/dbraw/zinc/04/43/76/800044376.db2.gz ZNDHSIRLOLNYIJ-HOTGVXAUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632563 800095850 /nfs/dbraw/zinc/09/58/50/800095850.db2.gz UZWAWMLCPYWGCW-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203780184 800121254 /nfs/dbraw/zinc/12/12/54/800121254.db2.gz DVWLVUXDBQSBNW-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205519728 800367420 /nfs/dbraw/zinc/36/74/20/800367420.db2.gz CKZPPQSKAFFZPB-UHFFFAOYSA-N 2 0 319.493 2.267 20 30 DEEDRP C#CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001205586439 800381074 /nfs/dbraw/zinc/38/10/74/800381074.db2.gz SBAZKAPUUDSYMH-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206586088 800558951 /nfs/dbraw/zinc/55/89/51/800558951.db2.gz NJAXIQMXUVBFMZ-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206928939 800631562 /nfs/dbraw/zinc/63/15/62/800631562.db2.gz NZIMHCUWXRHXDW-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951394 800639620 /nfs/dbraw/zinc/63/96/20/800639620.db2.gz OQDFEMWYCAKYEI-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328338 800955951 /nfs/dbraw/zinc/95/59/51/800955951.db2.gz CQVMMISKIYLYKT-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918605 801093337 /nfs/dbraw/zinc/09/33/37/801093337.db2.gz ISURHNVGGXWVLG-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209206127 801151530 /nfs/dbraw/zinc/15/15/30/801151530.db2.gz YAIDKWKZBABBND-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001209424458 801190882 /nfs/dbraw/zinc/19/08/82/801190882.db2.gz QLROXXJDILPSAK-QZTJIDSGSA-N 2 0 310.482 2.402 20 30 DEEDRP C=C(Cl)CN1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001229200929 801240487 /nfs/dbraw/zinc/24/04/87/801240487.db2.gz YWAXJZIGESMPEC-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229202913 801241191 /nfs/dbraw/zinc/24/11/91/801241191.db2.gz ZZPMRTKXDRXRGC-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230263295 801379030 /nfs/dbraw/zinc/37/90/30/801379030.db2.gz PDGZLLQAJTUKSO-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001230334037 801389655 /nfs/dbraw/zinc/38/96/55/801389655.db2.gz DJIWPMGRLCSHDF-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378014 801395563 /nfs/dbraw/zinc/39/55/63/801395563.db2.gz IBNOODMGULYFEK-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210585633 801426402 /nfs/dbraw/zinc/42/64/02/801426402.db2.gz RNQUMCYGWSAQAD-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210594710 801429120 /nfs/dbraw/zinc/42/91/20/801429120.db2.gz OHCRWGUWHJJQGM-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211031582 801501191 /nfs/dbraw/zinc/50/11/91/801501191.db2.gz JRQDPIFDJDEPFY-IXDOHACOSA-N 2 0 309.498 2.345 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817089 802617427 /nfs/dbraw/zinc/61/74/27/802617427.db2.gz KDUUPBBUAIQGLP-HZPDHXFCSA-N 2 0 307.482 2.073 20 30 DEEDRP CCCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521339 802700325 /nfs/dbraw/zinc/70/03/25/802700325.db2.gz QTUGZHXFKTXZTG-GOSISDBHSA-N 2 0 307.482 2.149 20 30 DEEDRP C[N+](C)(C)CCCO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224624500 802887744 /nfs/dbraw/zinc/88/77/44/802887744.db2.gz WSYQFWWUUOPVDH-GOSISDBHSA-N 2 0 302.442 2.245 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884663 802913974 /nfs/dbraw/zinc/91/39/74/802913974.db2.gz XUJMESGWNGJKML-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225426741 802963993 /nfs/dbraw/zinc/96/39/93/802963993.db2.gz GDHZYLPCKJPFLS-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225442101 802966532 /nfs/dbraw/zinc/96/65/32/802966532.db2.gz BJQPFEXPZWUYFK-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559159 803374036 /nfs/dbraw/zinc/37/40/36/803374036.db2.gz MEVFTLASHDIWGG-ZACQAIPSSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001331016764 1149360305 /nfs/dbraw/zinc/36/03/05/1149360305.db2.gz SHNWVCVZXBSZBF-QGZVFWFLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001370276414 1149457754 /nfs/dbraw/zinc/45/77/54/1149457754.db2.gz PUBNJJUNVDRVOD-OAHLLOKOSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001328097737 1148719297 /nfs/dbraw/zinc/71/92/97/1148719297.db2.gz IMZZICVKAMRRKJ-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH+](CC)CC)c1 ZINC001574970116 1069312566 /nfs/dbraw/zinc/31/25/66/1069312566.db2.gz PRINPPQUVODTSS-KRWDZBQOSA-N 2 0 317.433 2.086 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001500131179 1058514625 /nfs/dbraw/zinc/51/46/25/1058514625.db2.gz KRIKJVWFANYRKA-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001501188430 1059360461 /nfs/dbraw/zinc/36/04/61/1059360461.db2.gz IUWZVCBXGUKUIP-ULQDDVLXSA-N 2 0 307.482 2.026 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001501240623 1059400405 /nfs/dbraw/zinc/40/04/05/1059400405.db2.gz PDLGXYCSLCBPKJ-OKZBNKHCSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001501719962 1059662777 /nfs/dbraw/zinc/66/27/77/1059662777.db2.gz AMCCWSZUYROANF-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CC[NH+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001502389277 1060099111 /nfs/dbraw/zinc/09/91/11/1060099111.db2.gz YZYMVDMPLHAIFM-GOSISDBHSA-N 2 0 315.461 2.093 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502545758 1060174101 /nfs/dbraw/zinc/17/41/01/1060174101.db2.gz GVIPZAJSDOLEKB-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479690295 1061603702 /nfs/dbraw/zinc/60/37/02/1061603702.db2.gz ZWLKVGBOOUKCKI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001506176796 1061712061 /nfs/dbraw/zinc/71/20/61/1061712061.db2.gz IDNAVZXYTGPTHQ-MSOLQXFVSA-N 2 0 321.509 2.345 20 30 DEEDRP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001506546869 1062112760 /nfs/dbraw/zinc/11/27/60/1062112760.db2.gz ZOVKCUGXLWBOOJ-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001480265332 1062562205 /nfs/dbraw/zinc/56/22/05/1062562205.db2.gz IXIGBBWMNWHVKM-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001507032949 1062701803 /nfs/dbraw/zinc/70/18/03/1062701803.db2.gz LGUJQWWVVYEJFO-SFHVURJKSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001507386512 1063209372 /nfs/dbraw/zinc/20/93/72/1063209372.db2.gz LZSIESDYPVKJER-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480742719 1063279471 /nfs/dbraw/zinc/27/94/71/1063279471.db2.gz QXDYEDFBMXOKGY-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001493832701 1063981610 /nfs/dbraw/zinc/98/16/10/1063981610.db2.gz YRQUDHKYIQQHAB-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001567643018 1064305914 /nfs/dbraw/zinc/30/59/14/1064305914.db2.gz FLYJBRIXWWGQHS-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCCC[NH+](C)C)C1 ZINC001567689978 1064347900 /nfs/dbraw/zinc/34/79/00/1064347900.db2.gz ZVOKGBINEVOPJE-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567706400 1064363376 /nfs/dbraw/zinc/36/33/76/1064363376.db2.gz VHEKWJDYNXDLFF-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567742520 1064395992 /nfs/dbraw/zinc/39/59/92/1064395992.db2.gz SWCXXSPMILRGJQ-SFHVURJKSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875368 1064534684 /nfs/dbraw/zinc/53/46/84/1064534684.db2.gz HIRZDRKYLMBKML-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001494909498 1064567094 /nfs/dbraw/zinc/56/70/94/1064567094.db2.gz GWVDUDXSGJCNMH-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001568139421 1064666801 /nfs/dbraw/zinc/66/68/01/1064666801.db2.gz YOZWRBIHXGTUSD-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001495194695 1064755553 /nfs/dbraw/zinc/75/55/53/1064755553.db2.gz JPDPSPSRPYWQCS-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001495388555 1064874227 /nfs/dbraw/zinc/87/42/27/1064874227.db2.gz RKVKRWPCETWCEE-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001568466118 1064890077 /nfs/dbraw/zinc/89/00/77/1064890077.db2.gz RCEINUBOVBXEIF-GOSISDBHSA-N 2 0 315.461 2.116 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001568513432 1064925652 /nfs/dbraw/zinc/92/56/52/1064925652.db2.gz LFQDKXKGNAUDQM-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001568514913 1064928321 /nfs/dbraw/zinc/92/83/21/1064928321.db2.gz DNAMSTKLWUAAMU-DLBZAZTESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001495527482 1064966643 /nfs/dbraw/zinc/96/66/43/1064966643.db2.gz WDUJTWMYKLRTKX-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001495602025 1065000377 /nfs/dbraw/zinc/00/03/77/1065000377.db2.gz XNCSLIMBDDDMNE-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+]CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001569268952 1065404396 /nfs/dbraw/zinc/40/43/96/1065404396.db2.gz NNCCUCNAFGFDNZ-UHFFFAOYSA-N 2 0 303.450 2.376 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001569425682 1065502698 /nfs/dbraw/zinc/50/26/98/1065502698.db2.gz PESPCDVACFAXPL-QGZVFWFLSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001496512354 1065523611 /nfs/dbraw/zinc/52/36/11/1065523611.db2.gz DYOVIYNBERMAMV-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569467671 1065525165 /nfs/dbraw/zinc/52/51/65/1065525165.db2.gz QYBCNRURCKXHFM-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001569546114 1065582838 /nfs/dbraw/zinc/58/28/38/1065582838.db2.gz FGSKVWRLWODERV-QGZVFWFLSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001496862564 1065762265 /nfs/dbraw/zinc/76/22/65/1065762265.db2.gz KGEUWMFWPGSZHB-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001496871516 1065768753 /nfs/dbraw/zinc/76/87/53/1065768753.db2.gz ZJBIENXRJHEATP-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001569866770 1065777380 /nfs/dbraw/zinc/77/73/80/1065777380.db2.gz FRFIWAFQZGDKCZ-KZNAEPCWSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001569866831 1065777933 /nfs/dbraw/zinc/77/79/33/1065777933.db2.gz HQSJZXMPNIDLTH-QAQDUYKDSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496914116 1065801248 /nfs/dbraw/zinc/80/12/48/1065801248.db2.gz SXXIWYJKVAKDDJ-QZTJIDSGSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001570005675 1065878115 /nfs/dbraw/zinc/87/81/15/1065878115.db2.gz MJSAIPSICNNBBW-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001570089929 1065920291 /nfs/dbraw/zinc/92/02/91/1065920291.db2.gz YRQQIXWKHGQANX-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001570179527 1065957006 /nfs/dbraw/zinc/95/70/06/1065957006.db2.gz PXHHQABKQFQPIB-INIZCTEOSA-N 2 0 319.493 2.243 20 30 DEEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC001576182287 1066513848 /nfs/dbraw/zinc/51/38/48/1066513848.db2.gz URBQIXLFASTIJQ-USXIJHARSA-N 2 0 316.449 2.205 20 30 DEEDRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001576599999 1066643044 /nfs/dbraw/zinc/64/30/44/1066643044.db2.gz WZOBMGAUPLKIJK-SJORKVTESA-N 2 0 312.461 2.458 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267107669 1078585047 /nfs/dbraw/zinc/58/50/47/1078585047.db2.gz IUVNSKCPZNOURS-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001284072797 1078646726 /nfs/dbraw/zinc/64/67/26/1078646726.db2.gz WCNDLVSEVWDNGX-LZLYRXPVSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001570777089 1068115908 /nfs/dbraw/zinc/11/59/08/1068115908.db2.gz HZARMCCJPCOSAD-QGZVFWFLSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001570805959 1068121742 /nfs/dbraw/zinc/12/17/42/1068121742.db2.gz PWZXHDVEQMPICD-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001571326725 1068222108 /nfs/dbraw/zinc/22/21/08/1068222108.db2.gz ZXVCXMIRTRCSPJ-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001571503715 1068361676 /nfs/dbraw/zinc/36/16/76/1068361676.db2.gz UXFUKRSIHRYVHQ-YJBOKZPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@H]12 ZINC001571504865 1068364837 /nfs/dbraw/zinc/36/48/37/1068364837.db2.gz JQIWSPCWVNVWLP-FUHWJXTLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001272281314 1078779636 /nfs/dbraw/zinc/77/96/36/1078779636.db2.gz PWTJVRPRHWRYGH-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C#CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001267346096 1078781976 /nfs/dbraw/zinc/78/19/76/1078781976.db2.gz KWUKWCYVAKSOGB-SFHVURJKSA-N 2 0 315.461 2.142 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001267350384 1078784862 /nfs/dbraw/zinc/78/48/62/1078784862.db2.gz DISMUUGSUYEWLM-IAGOWNOFSA-N 2 0 301.434 2.104 20 30 DEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001521546935 1069251036 /nfs/dbraw/zinc/25/10/36/1069251036.db2.gz OEZWPKPPXLKUEJ-QWHCGFSZSA-N 2 0 305.413 2.178 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267474524 1078894901 /nfs/dbraw/zinc/89/49/01/1078894901.db2.gz ISBAVWJJIRSGTK-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001267512088 1078941794 /nfs/dbraw/zinc/94/17/94/1078941794.db2.gz AEWKBOKZCYODBD-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001267547406 1078977644 /nfs/dbraw/zinc/97/76/44/1078977644.db2.gz XERVRGIHLPJLGT-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481050579 1079126525 /nfs/dbraw/zinc/12/65/25/1079126525.db2.gz QDMAXYVGKGGMHO-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001483935138 1079195592 /nfs/dbraw/zinc/19/55/92/1079195592.db2.gz SSVNDOJNBRGVAR-DLBZAZTESA-N 2 0 316.449 2.074 20 30 DEEDRP C#CC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001483968838 1079219636 /nfs/dbraw/zinc/21/96/36/1079219636.db2.gz QJZPVFCPKLPWRB-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)Cn2ccnc2)C1 ZINC001484074646 1079288857 /nfs/dbraw/zinc/28/88/57/1079288857.db2.gz TWMKCBBOBQWQCB-KRWDZBQOSA-N 2 0 306.454 2.434 20 30 DEEDRP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484095053 1079301192 /nfs/dbraw/zinc/30/11/92/1079301192.db2.gz UHCDYXDVOBMORR-PKOBYXMFSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001565848407 1075196077 /nfs/dbraw/zinc/19/60/77/1075196077.db2.gz QOZGFCNQMQILDD-CALCHBBNSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001565873906 1075202220 /nfs/dbraw/zinc/20/22/20/1075202220.db2.gz OAWHDOYSSQUYHG-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001566053095 1075220948 /nfs/dbraw/zinc/22/09/48/1075220948.db2.gz SDCWWDDOYQBPHJ-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682260 1075315502 /nfs/dbraw/zinc/31/55/02/1075315502.db2.gz SYNGYPDAUBFNRP-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001566711789 1075323995 /nfs/dbraw/zinc/32/39/95/1075323995.db2.gz VEVKADNKNLIMLW-QZTJIDSGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001566755975 1075337247 /nfs/dbraw/zinc/33/72/47/1075337247.db2.gz YCZCVGCPZPLSGE-XWTMOSNGSA-N 2 0 319.493 2.358 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001566988003 1075409083 /nfs/dbraw/zinc/40/90/83/1075409083.db2.gz USPKHNDKNWJUQX-JCYILVPMSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567144936 1075444246 /nfs/dbraw/zinc/44/42/46/1075444246.db2.gz GBFSHLWTDHKEGD-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567195525 1075461064 /nfs/dbraw/zinc/46/10/64/1075461064.db2.gz QWKKAQXCCIGXKO-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1=CCCCC1 ZINC001329458732 1148897454 /nfs/dbraw/zinc/89/74/54/1148897454.db2.gz BOMMXSCOWJNEBJ-WMZOPIPTSA-N 2 0 317.477 2.021 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267896918 1079582967 /nfs/dbraw/zinc/58/29/67/1079582967.db2.gz GYATYYWYOYQNCJ-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001484526508 1079640785 /nfs/dbraw/zinc/64/07/85/1079640785.db2.gz FWKIWIMEGDDABT-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484528244 1079645172 /nfs/dbraw/zinc/64/51/72/1079645172.db2.gz XZPKUFFMVDIJAL-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001484815027 1079807954 /nfs/dbraw/zinc/80/79/54/1079807954.db2.gz VKYFZFUUHVKRBS-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001484916353 1079850671 /nfs/dbraw/zinc/85/06/71/1079850671.db2.gz PALNBQOFMRDNQF-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481504016 1079961613 /nfs/dbraw/zinc/96/16/13/1079961613.db2.gz KFYDAKWQWJCWKU-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001485254256 1080089759 /nfs/dbraw/zinc/08/97/59/1080089759.db2.gz ZDNVBNABUHMXIN-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001268124872 1080092370 /nfs/dbraw/zinc/09/23/70/1080092370.db2.gz ZCAMTWXKFVRKCU-WMZOPIPTSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001656910168 1080138491 /nfs/dbraw/zinc/13/84/91/1080138491.db2.gz VULMXZVIPKFEOW-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001268221488 1080205876 /nfs/dbraw/zinc/20/58/76/1080205876.db2.gz CTKZTKUSBANJCY-DLBZAZTESA-N 2 0 307.482 2.003 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001485707102 1080372488 /nfs/dbraw/zinc/37/24/88/1080372488.db2.gz SLUPBSKRDTVWBA-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001660775794 1080395248 /nfs/dbraw/zinc/39/52/48/1080395248.db2.gz GZSNDZRRHHULEL-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001660787454 1080396580 /nfs/dbraw/zinc/39/65/80/1080396580.db2.gz LUJCRGQOTAASJZ-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001661236040 1080461924 /nfs/dbraw/zinc/46/19/24/1080461924.db2.gz SCLYJKFRMZSWSP-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485815571 1080496992 /nfs/dbraw/zinc/49/69/92/1080496992.db2.gz LYZYXTBNSPCLGG-IRXDYDNUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCNC(=O)[C@@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272717500 1080496997 /nfs/dbraw/zinc/49/69/97/1080496997.db2.gz VJRPTKCATLAASD-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001661752956 1080518053 /nfs/dbraw/zinc/51/80/53/1080518053.db2.gz QXIREPNMFQGPSN-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268458302 1080522787 /nfs/dbraw/zinc/52/27/87/1080522787.db2.gz KRLLFRZHZFWFAV-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661895365 1080541768 /nfs/dbraw/zinc/54/17/68/1080541768.db2.gz DLVRXCGPDBXZRS-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268472873 1080575929 /nfs/dbraw/zinc/57/59/29/1080575929.db2.gz IBGKQLPKXSPZJO-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001662520683 1080613499 /nfs/dbraw/zinc/61/34/99/1080613499.db2.gz VPQZXKZMMLRUPC-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001268499850 1080650000 /nfs/dbraw/zinc/65/00/00/1080650000.db2.gz QWEFPIYGOTWHHO-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001662862250 1080668945 /nfs/dbraw/zinc/66/89/45/1080668945.db2.gz KGMODMHRKVFGPI-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001482062010 1080767106 /nfs/dbraw/zinc/76/71/06/1080767106.db2.gz WUPVEYFTMDSORU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268577440 1080802721 /nfs/dbraw/zinc/80/27/21/1080802721.db2.gz UTSZDIZYZYABRK-HJWRWDBZSA-N 2 0 307.482 2.337 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001664894374 1080978035 /nfs/dbraw/zinc/97/80/35/1080978035.db2.gz UAEJQFNJXNREJT-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001665833226 1081087447 /nfs/dbraw/zinc/08/74/47/1081087447.db2.gz FHYSXDHKKCDWFS-SJLPKXTDSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001666330198 1081144661 /nfs/dbraw/zinc/14/46/61/1081144661.db2.gz CBZHEXDXJKVWCF-SFHVURJKSA-N 2 0 315.461 2.453 20 30 DEEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001668324882 1081342324 /nfs/dbraw/zinc/34/23/24/1081342324.db2.gz DRZDMQDQZUDTBD-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](c1ccccc1)N(C)C ZINC001668652974 1081376765 /nfs/dbraw/zinc/37/67/65/1081376765.db2.gz YFAMIXDIEXGVDS-KRWDZBQOSA-N 2 0 303.450 2.304 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001269991639 1081420614 /nfs/dbraw/zinc/42/06/14/1081420614.db2.gz QPBNFNBLEZYPEJ-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001669312932 1081444799 /nfs/dbraw/zinc/44/47/99/1081444799.db2.gz JSRNGYOFWPTDSQ-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001270187143 1081469707 /nfs/dbraw/zinc/46/97/07/1081469707.db2.gz FUMSBBJQDLPGGY-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001671842848 1081542676 /nfs/dbraw/zinc/54/26/76/1081542676.db2.gz PNXHOBJHCIAZCR-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001673639241 1081788081 /nfs/dbraw/zinc/78/80/81/1081788081.db2.gz FVRLIIMVRWNHBS-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001270991913 1081866691 /nfs/dbraw/zinc/86/66/91/1081866691.db2.gz QWOVWKWLSNRIDS-FUHWJXTLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001674611486 1081894011 /nfs/dbraw/zinc/89/40/11/1081894011.db2.gz HMHWHCMEPPNFGL-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001266275410 1081933183 /nfs/dbraw/zinc/93/31/83/1081933183.db2.gz YDNBTWXQYBUCSK-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001482469418 1081941616 /nfs/dbraw/zinc/94/16/16/1081941616.db2.gz DIQNDLUQDHZKDE-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271286209 1082005958 /nfs/dbraw/zinc/00/59/58/1082005958.db2.gz QZANOSDZOKUJOG-ULQDDVLXSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001482507398 1082130626 /nfs/dbraw/zinc/13/06/26/1082130626.db2.gz BSGKGXUTAVVMNO-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266539644 1082135330 /nfs/dbraw/zinc/13/53/30/1082135330.db2.gz FVBNKSIPNUYXAM-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266539643 1082135366 /nfs/dbraw/zinc/13/53/66/1082135366.db2.gz FVBNKSIPNUYXAM-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC=C(C)C)CC1 ZINC001671499810 1082160291 /nfs/dbraw/zinc/16/02/91/1082160291.db2.gz JQQORGXVLKFLPX-UHFFFAOYSA-N 2 0 319.493 2.221 20 30 DEEDRP C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266565384 1082163191 /nfs/dbraw/zinc/16/31/91/1082163191.db2.gz WAHYFNLORVEYJV-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564605 1082200623 /nfs/dbraw/zinc/20/06/23/1082200623.db2.gz SXMIJNXNUBGUAR-WBVHZDCISA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001266663271 1082257620 /nfs/dbraw/zinc/25/76/20/1082257620.db2.gz NFFCPFWZICKKIY-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266860110 1082404568 /nfs/dbraw/zinc/40/45/68/1082404568.db2.gz XLCFZNZMRXNQLG-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001266914552 1082450835 /nfs/dbraw/zinc/45/08/35/1082450835.db2.gz PQZXSQNBJDOJDT-WWDZGPRUSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001276423120 1083424390 /nfs/dbraw/zinc/42/43/90/1083424390.db2.gz UJRNFQCTPAKJRB-GJZGRUSLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609620 1083515859 /nfs/dbraw/zinc/51/58/59/1083515859.db2.gz ZFOJMFFJHDIZJY-YQVWRLOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107614956 1083521844 /nfs/dbraw/zinc/52/18/44/1083521844.db2.gz OQQYHEPMYIDVLK-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001276644214 1083530929 /nfs/dbraw/zinc/53/09/29/1083530929.db2.gz ZSCSBWMHMIJREP-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001277053539 1083749642 /nfs/dbraw/zinc/74/96/42/1083749642.db2.gz LOTWHWNXNCRQOD-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001277702246 1084102965 /nfs/dbraw/zinc/10/29/65/1084102965.db2.gz JMTQYVPVSIJCAV-ROUUACIJSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001670923083 1084147076 /nfs/dbraw/zinc/14/70/76/1084147076.db2.gz IJXFZGZZHOTCQV-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203460876 1084148815 /nfs/dbraw/zinc/14/88/15/1084148815.db2.gz CNXHOQBGYURUTO-SJORKVTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001277872765 1084185922 /nfs/dbraw/zinc/18/59/22/1084185922.db2.gz RYYZITXOAPOTEQ-ZDUSSCGKSA-N 2 0 300.406 2.269 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001277883593 1084203820 /nfs/dbraw/zinc/20/38/20/1084203820.db2.gz LATQDRQVNVSTCJ-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001491296693 1084216600 /nfs/dbraw/zinc/21/66/00/1084216600.db2.gz OOGQGMHTYUWCHR-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001491338219 1084241197 /nfs/dbraw/zinc/24/11/97/1084241197.db2.gz RNDIEIGXZYXVRK-IECFSIQFSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCN(CC[NH+]1CCC(C2CC[NH2+]CC2)CC1)C(=O)OCC ZINC001235702843 1084507243 /nfs/dbraw/zinc/50/72/43/1084507243.db2.gz OROSSKLBPVDGSP-UHFFFAOYSA-N 2 0 323.481 2.343 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960149701 1085129522 /nfs/dbraw/zinc/12/95/22/1085129522.db2.gz MZFDRJWECQDRIS-FICVDOATSA-N 2 0 319.474 2.046 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001486203720 1085130071 /nfs/dbraw/zinc/13/00/71/1085130071.db2.gz BFQGLDXTGKNKEG-CVEARBPZSA-N 2 0 324.428 2.154 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486211003 1085143850 /nfs/dbraw/zinc/14/38/50/1085143850.db2.gz SENXHDLWCNCTIG-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001494137704 1085162190 /nfs/dbraw/zinc/16/21/90/1085162190.db2.gz NRSLERGPIUGJFD-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@H+](C)CCN(C(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001486368994 1085237483 /nfs/dbraw/zinc/23/74/83/1085237483.db2.gz GUVRRWUFZPPXBR-QGZVFWFLSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001486435955 1085311426 /nfs/dbraw/zinc/31/14/26/1085311426.db2.gz TWIXKDLLROTBQC-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001486519579 1085402339 /nfs/dbraw/zinc/40/23/39/1085402339.db2.gz VGKINGXNVJELRB-INIZCTEOSA-N 2 0 317.477 2.185 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001486519581 1085402903 /nfs/dbraw/zinc/40/29/03/1085402903.db2.gz VGKINGXNVJELRB-MRXNPFEDSA-N 2 0 317.477 2.185 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000965933263 1085700009 /nfs/dbraw/zinc/70/00/09/1085700009.db2.gz WFPYFGFOXOCYFA-XLWKGDHDSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315770 1086405425 /nfs/dbraw/zinc/40/54/25/1086405425.db2.gz YMKRXIRCSFUKBP-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000963327178 1086409285 /nfs/dbraw/zinc/40/92/85/1086409285.db2.gz SPQZGQFHPUJRBO-DAWZGUTISA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CN1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273144849 1086817764 /nfs/dbraw/zinc/81/77/64/1086817764.db2.gz SXDPJZUPOLNFSR-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001276325746 1089002541 /nfs/dbraw/zinc/00/25/41/1089002541.db2.gz BKBKWLRHPHFRCS-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001080998689 1089272951 /nfs/dbraw/zinc/27/29/51/1089272951.db2.gz JCNCHVSYSRTIGN-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001082612337 1090021325 /nfs/dbraw/zinc/02/13/25/1090021325.db2.gz ICDMGFWJVRZWCD-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001410246402 1090465663 /nfs/dbraw/zinc/46/56/63/1090465663.db2.gz AMVZDAPEJVBUTI-UHFFFAOYSA-N 2 0 301.862 2.004 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049129 1090614167 /nfs/dbraw/zinc/61/41/67/1090614167.db2.gz CXQHOQGVVRKNNQ-KURKYZTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001274438207 1091242305 /nfs/dbraw/zinc/24/23/05/1091242305.db2.gz FLYRCGPAHOVOQK-SNAWJCMRSA-N 2 0 321.852 2.376 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001274885606 1091458101 /nfs/dbraw/zinc/45/81/01/1091458101.db2.gz OZVGFVKQPJNRFR-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001274894147 1091466726 /nfs/dbraw/zinc/46/67/26/1091466726.db2.gz HGZHYHZQFIVFNA-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001275114731 1091565749 /nfs/dbraw/zinc/56/57/49/1091565749.db2.gz KQUDPIVVTWAFLS-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CCCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001275131291 1091574308 /nfs/dbraw/zinc/57/43/08/1091574308.db2.gz OJWLGXLJXDUBPC-IRXDYDNUSA-N 2 0 321.509 2.489 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948716800 1091898720 /nfs/dbraw/zinc/89/87/20/1091898720.db2.gz FRJGSVNYHUOFGX-BZSNNMDCSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948769763 1091925255 /nfs/dbraw/zinc/92/52/55/1091925255.db2.gz DMZWHDCADJQHGJ-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001273591574 1091941250 /nfs/dbraw/zinc/94/12/50/1091941250.db2.gz WSJAQWTVHITIIU-UHFFFAOYSA-N 2 0 307.482 2.056 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542265 1091959015 /nfs/dbraw/zinc/95/90/15/1091959015.db2.gz FWOKOTYBJHMJCV-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC001198002854 1092032579 /nfs/dbraw/zinc/03/25/79/1092032579.db2.gz VODQZKFXAMIRRO-MRXNPFEDSA-N 2 0 318.465 2.242 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001490586581 1093432655 /nfs/dbraw/zinc/43/26/55/1093432655.db2.gz HUNYVQRIUKCMLN-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP N#Cc1c(N)sc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236319920 1138351372 /nfs/dbraw/zinc/35/13/72/1138351372.db2.gz HWMUYSFOPHCZKQ-AOOOYVTPSA-N 2 0 310.854 2.287 20 30 DEEDRP C[NH+](C)CCN(CCCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236921815 1138457020 /nfs/dbraw/zinc/45/70/20/1138457020.db2.gz CFTJMLGVFMNPQR-LJQANCHMSA-N 2 0 314.477 2.106 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001278071433 1138547834 /nfs/dbraw/zinc/54/78/34/1138547834.db2.gz KJXPQTMERDUGPE-INIZCTEOSA-N 2 0 307.482 2.101 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491752208 1140296389 /nfs/dbraw/zinc/29/63/89/1140296389.db2.gz VNWVGBKZNHOBEJ-IRXDYDNUSA-N 2 0 309.498 2.489 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001318567477 1140365735 /nfs/dbraw/zinc/36/57/35/1140365735.db2.gz LNLIQPGGWFXLFR-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001318806096 1140424494 /nfs/dbraw/zinc/42/44/94/1140424494.db2.gz REDBUHCLNGPOOU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001319918470 1140803751 /nfs/dbraw/zinc/80/37/51/1140803751.db2.gz PJPKSAXGSQYFPK-IRXDYDNUSA-N 2 0 307.482 2.310 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989013 1140843344 /nfs/dbraw/zinc/84/33/44/1140843344.db2.gz KFJBJIRNYXDDCE-GOSISDBHSA-N 2 0 311.514 2.124 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032354 1140850726 /nfs/dbraw/zinc/85/07/26/1140850726.db2.gz SJKCAEFVPRFRLJ-QGZVFWFLSA-N 2 0 311.514 2.125 20 30 DEEDRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN[C@H](C#N)C1)CC21CC[NH2+]CC1 ZINC001246126664 1140863643 /nfs/dbraw/zinc/86/36/43/1140863643.db2.gz IPEKLUPETQBVPC-GJYPPUQNSA-N 2 0 324.472 2.295 20 30 DEEDRP C[C@H]1CC[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]1 ZINC001246364917 1140888685 /nfs/dbraw/zinc/88/86/85/1140888685.db2.gz XBPTZJMVFZDBNQ-HNAYVOBHSA-N 2 0 312.461 2.253 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708573 1141041228 /nfs/dbraw/zinc/04/12/28/1141041228.db2.gz QETFJXALKFQBKP-SUTQANCOSA-N 2 0 317.477 2.303 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001323162507 1141819814 /nfs/dbraw/zinc/81/98/14/1141819814.db2.gz QUQOMOCKKJOIPR-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640247 1141873023 /nfs/dbraw/zinc/87/30/23/1141873023.db2.gz CQITWIQAXYCBBR-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)c1cc2c[nH]ccc-2n1)C1CCCC1 ZINC001324484437 1142086590 /nfs/dbraw/zinc/08/65/90/1142086590.db2.gz XKURWFPBXSRUNT-SFHVURJKSA-N 2 0 324.428 2.464 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001278639868 1142567989 /nfs/dbraw/zinc/56/79/89/1142567989.db2.gz MYTYNQWBVQXOLB-JKSUJKDBSA-N 2 0 307.482 2.262 20 30 DEEDRP C#C[C@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254039443 1143030837 /nfs/dbraw/zinc/03/08/37/1143030837.db2.gz GRDMRFDKRRSMDJ-SFHVURJKSA-N 2 0 312.457 2.359 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC001340041173 1143244559 /nfs/dbraw/zinc/24/45/59/1143244559.db2.gz GDRYCJHAQNQLMG-BRWVUGGUSA-N 2 0 307.482 2.047 20 30 DEEDRP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254671761 1143309388 /nfs/dbraw/zinc/30/93/88/1143309388.db2.gz UDYJJZQGCIUEGT-ROUUACIJSA-N 2 0 306.498 2.418 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001495963223 1143365900 /nfs/dbraw/zinc/36/59/00/1143365900.db2.gz FYHQNMJOHCUBHP-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+](CC)CC)CC1 ZINC001340666214 1143393869 /nfs/dbraw/zinc/39/38/69/1143393869.db2.gz VZSQIVXFZLTZOB-INIZCTEOSA-N 2 0 324.513 2.447 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC001341552949 1143628779 /nfs/dbraw/zinc/62/87/79/1143628779.db2.gz NOVVESMGTCZXGQ-MRXNPFEDSA-N 2 0 305.422 2.249 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC001342741017 1143834007 /nfs/dbraw/zinc/83/40/07/1143834007.db2.gz OXMPVDZTASTDCQ-QFBILLFUSA-N 2 0 319.493 2.313 20 30 DEEDRP CCOC(=O)CC[C@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001258487018 1144010762 /nfs/dbraw/zinc/01/07/62/1144010762.db2.gz NQTUWUWCEHJVKE-ZDUSSCGKSA-N 2 0 305.422 2.385 20 30 DEEDRP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001279105174 1144120686 /nfs/dbraw/zinc/12/06/86/1144120686.db2.gz VNKUCVBUCQCBKO-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001265333729 1144694784 /nfs/dbraw/zinc/69/47/84/1144694784.db2.gz CIFWVQACFJUGPI-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265621488 1144718914 /nfs/dbraw/zinc/71/89/14/1144718914.db2.gz KZQKLCAVNADJBB-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001266177574 1144811750 /nfs/dbraw/zinc/81/17/50/1144811750.db2.gz HPDXHLPWLINEFJ-WBVHZDCISA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001266177573 1144811768 /nfs/dbraw/zinc/81/17/68/1144811768.db2.gz HPDXHLPWLINEFJ-RDJZCZTQSA-N 2 0 307.482 2.358 20 30 DEEDRP 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 1144822233 /nfs/dbraw/zinc/82/22/33/1144822233.db2.gz ZIAUOTCASMFMJZ-BDXSIMOUSA-N 2 0 321.509 2.318 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279567205 1144824707 /nfs/dbraw/zinc/82/47/07/1144824707.db2.gz WMLZZGJEIBRZHA-ZACQAIPSSA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001280462522 1144841005 /nfs/dbraw/zinc/84/10/05/1144841005.db2.gz XBDNGCQRUOZLTQ-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC001280521583 1144843610 /nfs/dbraw/zinc/84/36/10/1144843610.db2.gz SEMXJLCPADIDKU-UHFFFAOYSA-N 2 0 313.445 2.014 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001281878941 1144917738 /nfs/dbraw/zinc/91/77/38/1144917738.db2.gz ZHNONDZKRAQRFU-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001282053088 1144936850 /nfs/dbraw/zinc/93/68/50/1144936850.db2.gz QDFZABGIGVUQOA-UQPPLGOBSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001282624459 1145099536 /nfs/dbraw/zinc/09/95/36/1145099536.db2.gz LMETZFSZEDNCRW-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001282992698 1145227952 /nfs/dbraw/zinc/22/79/52/1145227952.db2.gz LNEFKEUMCDVRGW-HDICACEKSA-N 2 0 307.482 2.075 20 30 DEEDRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001364634614 1145392230 /nfs/dbraw/zinc/39/22/30/1145392230.db2.gz JCCDTGFICPIGAH-FFZOFVMBSA-N 2 0 324.472 2.457 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001283999041 1145743144 /nfs/dbraw/zinc/74/31/44/1145743144.db2.gz YZUDMCXVXBDUAS-ZFWWWQNUSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)CC[N@@H+](C)CCC)CC2)CC1 ZINC001284846277 1145937318 /nfs/dbraw/zinc/93/73/18/1145937318.db2.gz MJFYBYJVPLXCMT-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001492154735 1147101728 /nfs/dbraw/zinc/10/17/28/1147101728.db2.gz SKJHYUSSQKZYMJ-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001316996986 1147646560 /nfs/dbraw/zinc/64/65/60/1147646560.db2.gz BPBGZPFOIZSXAD-CVEARBPZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317007325 1147647444 /nfs/dbraw/zinc/64/74/44/1147647444.db2.gz OGKBBUHMBYGSRO-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001367157083 1147657935 /nfs/dbraw/zinc/65/79/35/1147657935.db2.gz HGEUUVPMDPUUQP-CYBMUJFWSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317088462 1147658291 /nfs/dbraw/zinc/65/82/91/1147658291.db2.gz VOGZDYQYEKZFQC-QAQDUYKDSA-N 2 0 301.434 2.175 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001317186230 1147673017 /nfs/dbraw/zinc/67/30/17/1147673017.db2.gz KGUOXBPOXUZMHZ-OAHLLOKOSA-N 2 0 319.474 2.027 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317373930 1147698503 /nfs/dbraw/zinc/69/85/03/1147698503.db2.gz AQLSNBQMZXAAJY-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317436461 1147707996 /nfs/dbraw/zinc/70/79/96/1147707996.db2.gz RMJNJFOURLMNKA-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001317869937 1147759455 /nfs/dbraw/zinc/75/94/55/1147759455.db2.gz JDRWKFAGTVLDOH-NVXWUHKLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317875635 1147759553 /nfs/dbraw/zinc/75/95/53/1147759553.db2.gz JSZOUJZBMFQIFY-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001324802482 1147846920 /nfs/dbraw/zinc/84/69/20/1147846920.db2.gz FEZCEKMNHDLQHX-GOSISDBHSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001325437459 1147909781 /nfs/dbraw/zinc/90/97/81/1147909781.db2.gz LPACNZMCGWXVON-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000277046037 213259741 /nfs/dbraw/zinc/25/97/41/213259741.db2.gz CCKCWHFGSVMJCK-QGZVFWFLSA-N 2 0 314.433 2.303 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000591579396 357738038 /nfs/dbraw/zinc/73/80/38/357738038.db2.gz XTWFRVWTQOLAAF-IBGZPJMESA-N 2 0 324.472 2.254 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000591581026 357738214 /nfs/dbraw/zinc/73/82/14/357738214.db2.gz JMHWMUXMQDYPPQ-GOSISDBHSA-N 2 0 310.445 2.259 20 30 DEEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180060202 199112787 /nfs/dbraw/zinc/11/27/87/199112787.db2.gz ZZLDXSYMOSVZOY-INIZCTEOSA-N 2 0 323.444 2.390 20 30 DEEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392915 361589545 /nfs/dbraw/zinc/58/95/45/361589545.db2.gz VJSGAUDCPWAMPX-HNAYVOBHSA-N 2 0 312.461 2.161 20 30 DEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798504 133308092 /nfs/dbraw/zinc/30/80/92/133308092.db2.gz ICZOYBRHQRODRA-LJQANCHMSA-N 2 0 312.461 2.159 20 30 DEEDRP C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626218 133338122 /nfs/dbraw/zinc/33/81/22/133338122.db2.gz MBBYGAALUVBOET-HNNXBMFYSA-N 2 0 318.490 2.220 20 30 DEEDRP C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000129309700 401802208 /nfs/dbraw/zinc/80/22/08/401802208.db2.gz SYVXRMZOOOOAKP-MFKMUULPSA-N 2 0 321.494 2.050 20 30 DEEDRP COc1cc(C#N)ccc1OCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152340364 402090382 /nfs/dbraw/zinc/09/03/82/402090382.db2.gz JGZIGMGCOZAIEW-INIZCTEOSA-N 2 0 317.433 2.219 20 30 DEEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123455750 402128633 /nfs/dbraw/zinc/12/86/33/402128633.db2.gz LRRGNJXUGYHWCR-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176154388 402284364 /nfs/dbraw/zinc/28/43/64/402284364.db2.gz ZMPJOCAMECKZRL-SJORKVTESA-N 2 0 322.497 2.199 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000170908208 402540817 /nfs/dbraw/zinc/54/08/17/402540817.db2.gz YITURMRBEJHMBQ-OAHLLOKOSA-N 2 0 318.465 2.364 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000171734907 402616188 /nfs/dbraw/zinc/61/61/88/402616188.db2.gz XJMMKQGGQZLXSO-KRWDZBQOSA-N 2 0 322.497 2.056 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277416770 403215333 /nfs/dbraw/zinc/21/53/33/403215333.db2.gz FAVZKQUUAPDECH-MRXNPFEDSA-N 2 0 316.449 2.116 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276500206 403181456 /nfs/dbraw/zinc/18/14/56/403181456.db2.gz WDKZGAUVNIORFW-WMZOPIPTSA-N 2 0 315.461 2.274 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070478 403750574 /nfs/dbraw/zinc/75/05/74/403750574.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 2 0 313.489 2.442 20 30 DEEDRP CCN(CC)C(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000304754909 403801274 /nfs/dbraw/zinc/80/12/74/403801274.db2.gz MIBVTLOWMWLJCJ-UHFFFAOYSA-N 2 0 312.527 2.395 20 30 DEEDRP C=C(C)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459003092 405687802 /nfs/dbraw/zinc/68/78/02/405687802.db2.gz OJEZJTJBXSTRIW-INIZCTEOSA-N 2 0 310.486 2.010 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)C(C)C ZINC000423330757 405764121 /nfs/dbraw/zinc/76/41/21/405764121.db2.gz GEWQWUKYSQYXRZ-GVDBMIGSSA-N 2 0 307.482 2.189 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000570389055 406385629 /nfs/dbraw/zinc/38/56/29/406385629.db2.gz MIQRFHGCYPQWRP-UHFFFAOYSA-N 2 0 310.445 2.032 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]CC34CC(C3)CO4)CC2)cc1 ZINC000527787470 406751108 /nfs/dbraw/zinc/75/11/08/406751108.db2.gz CRDXAZQIUXRRGR-UHFFFAOYSA-N 2 0 311.429 2.291 20 30 DEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000661119989 425328977 /nfs/dbraw/zinc/32/89/77/425328977.db2.gz YMUQGNOJDDQMSJ-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC[NH2+]1 ZINC000662804380 425739435 /nfs/dbraw/zinc/73/94/35/425739435.db2.gz FEYCJBXPETXFTH-KVSKMBFKSA-N 2 0 317.477 2.160 20 30 DEEDRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000263096532 277073243 /nfs/dbraw/zinc/07/32/43/277073243.db2.gz JLGWQGIFXLDGPI-GDBMZVCRSA-N 2 0 316.449 2.146 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)C(C)C ZINC000417063857 277850508 /nfs/dbraw/zinc/85/05/08/277850508.db2.gz NWVGEJGFBZDHQV-IAGOWNOFSA-N 2 0 322.497 2.078 20 30 DEEDRP C[NH+](C)CCCN(CCC#N)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547732440 341229313 /nfs/dbraw/zinc/22/93/13/341229313.db2.gz BHZJHAOSTLNHMD-UHFFFAOYSA-N 2 0 322.497 2.335 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001378444488 1152331187 /nfs/dbraw/zinc/33/11/87/1152331187.db2.gz NADRFJMXKVTGLE-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001330022885 1149035543 /nfs/dbraw/zinc/03/55/43/1149035543.db2.gz VJLOZDRSKZGYRC-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000340123913 527650054 /nfs/dbraw/zinc/65/00/54/527650054.db2.gz ZNNACLBCAJSSDM-GVDBMIGSSA-N 2 0 307.482 2.176 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000267855299 528031470 /nfs/dbraw/zinc/03/14/70/528031470.db2.gz MMJPSQYIRIOHCX-MRXNPFEDSA-N 2 0 306.454 2.387 20 30 DEEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262680333 528232244 /nfs/dbraw/zinc/23/22/44/528232244.db2.gz VTMFNRZEKPONPW-GOEBONIOSA-N 2 0 316.449 2.289 20 30 DEEDRP CC1CC[NH+]([C@@H](CNC2=[NH+]CCN2C)c2ccccc2)CC1 ZINC000262672112 528259676 /nfs/dbraw/zinc/25/96/76/528259676.db2.gz RNVIKQAOVJRILA-KRWDZBQOSA-N 2 0 300.450 2.351 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCc1nc(C)cs1 ZINC000264248217 529070455 /nfs/dbraw/zinc/07/04/55/529070455.db2.gz GNOKRFGDMSSFPC-CQSZACIVSA-N 2 0 323.510 2.163 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccc(OC)c1 ZINC000264255650 529070661 /nfs/dbraw/zinc/07/06/61/529070661.db2.gz IDKGTNMUHKATBF-MRXNPFEDSA-N 2 0 318.465 2.016 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000267436124 529100660 /nfs/dbraw/zinc/10/06/60/529100660.db2.gz NUWWQIIYHHYSKD-KGLIPLIRSA-N 2 0 308.495 2.315 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001330539334 1149184686 /nfs/dbraw/zinc/18/46/86/1149184686.db2.gz UZNJXPNYIIDRNR-KDURUIRLSA-N 2 0 319.493 2.219 20 30 DEEDRP 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 625352119 /nfs/dbraw/zinc/35/21/19/625352119.db2.gz HCPPSCRZXQHEIA-IXDOHACOSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632384 625364855 /nfs/dbraw/zinc/36/48/55/625364855.db2.gz LLHQVZZMZGLQQX-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761789 625427160 /nfs/dbraw/zinc/42/71/60/625427160.db2.gz JJDAJYBPJLUNED-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475850 625467541 /nfs/dbraw/zinc/46/75/41/625467541.db2.gz VLLXPIUPOXOYCR-DOTOQJQBSA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001026540418 625508737 /nfs/dbraw/zinc/50/87/37/625508737.db2.gz LNGBYLPPUBNATK-UHFFFAOYSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001026571596 625531151 /nfs/dbraw/zinc/53/11/51/625531151.db2.gz CPUZJUNYDDWYMY-GTPINHCMSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970052324 623080546 /nfs/dbraw/zinc/08/05/46/623080546.db2.gz WPHTXFPCWVLCTH-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025602198 625625050 /nfs/dbraw/zinc/62/50/50/625625050.db2.gz ZFZVLHVBJGUNJG-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP CC[NH+](CC)CC#C[C@H](C)OC(=O)C12CCC[NH+](CCC1)C2 ZINC000892863697 625672190 /nfs/dbraw/zinc/67/21/90/625672190.db2.gz NGKUEDCNHCPRGM-INIZCTEOSA-N 2 0 306.450 2.139 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446817 625271392 /nfs/dbraw/zinc/27/13/92/625271392.db2.gz YQUFRWFQNUAGOD-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453582 625275387 /nfs/dbraw/zinc/27/53/87/625275387.db2.gz BXYRLIUXFCLIKM-MRXNPFEDSA-N 2 0 324.428 2.108 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001024647146 625949036 /nfs/dbraw/zinc/94/90/36/625949036.db2.gz JQMJFYLZHOVQTB-HUUCEWRRSA-N 2 0 316.449 2.376 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC000979083396 634495828 /nfs/dbraw/zinc/49/58/28/634495828.db2.gz YMPIJIIBIQRLHM-ZJPYXAASSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999289310 634550547 /nfs/dbraw/zinc/55/05/47/634550547.db2.gz FKRIOMXGSJRCSS-GTPINHCMSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000261742 634826252 /nfs/dbraw/zinc/82/62/52/634826252.db2.gz UJLCOSGWCIPMMS-NVXWUHKLSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024692571 632924070 /nfs/dbraw/zinc/92/40/70/632924070.db2.gz OYFHFPNRIZETPJ-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC000995820688 633127810 /nfs/dbraw/zinc/12/78/10/633127810.db2.gz HHCHPNNNUWXYAR-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC000995854512 633130423 /nfs/dbraw/zinc/13/04/23/633130423.db2.gz LLWLAVHGMGYTAZ-CQSZACIVSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1(C)C ZINC000995888362 633137699 /nfs/dbraw/zinc/13/76/99/633137699.db2.gz XDAVLJHBIVDRPF-SJORKVTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995911912 633142484 /nfs/dbraw/zinc/14/24/84/633142484.db2.gz BQFPGYBFHYQPMT-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974900160 633358672 /nfs/dbraw/zinc/35/86/72/633358672.db2.gz NREMNZKZHYAKFN-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996715933 633366584 /nfs/dbraw/zinc/36/65/84/633366584.db2.gz GWDAWWMEVIDLQW-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996749626 633394397 /nfs/dbraw/zinc/39/43/97/633394397.db2.gz SJIQTKSEGBYDCU-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045654 633396698 /nfs/dbraw/zinc/39/66/98/633396698.db2.gz BNQGYHFZURQXMY-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997514533 633819366 /nfs/dbraw/zinc/81/93/66/633819366.db2.gz GQWXWAWIGPAYFG-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978403395 634304406 /nfs/dbraw/zinc/30/44/06/634304406.db2.gz CIAYHMZOWVXMMV-NNZMDNLPSA-N 2 0 324.428 2.126 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486777 635018542 /nfs/dbraw/zinc/01/85/42/635018542.db2.gz XAJUTMJOERDYON-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001000677628 635273675 /nfs/dbraw/zinc/27/36/75/635273675.db2.gz UAQGCULIZBYVOM-IEBWSBKVSA-N 2 0 315.461 2.230 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001000757375 635298835 /nfs/dbraw/zinc/29/88/35/635298835.db2.gz NBAPIAGYXBMITG-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC001000779091 635307888 /nfs/dbraw/zinc/30/78/88/635307888.db2.gz VULPLXBVWIOARN-INIZCTEOSA-N 2 0 314.433 2.085 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001000839395 635318623 /nfs/dbraw/zinc/31/86/23/635318623.db2.gz DUWVBXNUCZNXEO-ZWKOTPCHSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165084 635344421 /nfs/dbraw/zinc/34/44/21/635344421.db2.gz PXPFNWXGVCPHKY-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001001010392 635378427 /nfs/dbraw/zinc/37/84/27/635378427.db2.gz TUYVVFHDOPBMHJ-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000981434478 635478338 /nfs/dbraw/zinc/47/83/38/635478338.db2.gz UKEGLUREZAOVRB-IRXDYDNUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001001472656 635504055 /nfs/dbraw/zinc/50/40/55/635504055.db2.gz UDUGUBRFTIFBGD-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001001596299 635530399 /nfs/dbraw/zinc/53/03/99/635530399.db2.gz YCBWXOLKVXSMED-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001001593863 635530573 /nfs/dbraw/zinc/53/05/73/635530573.db2.gz AXADDHSHKFNSHO-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052482 635845700 /nfs/dbraw/zinc/84/57/00/635845700.db2.gz MDJOHDWGJJSMFT-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003012745 635881366 /nfs/dbraw/zinc/88/13/66/635881366.db2.gz ZWSZUGKNLOJEDR-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275928 635935506 /nfs/dbraw/zinc/93/55/06/635935506.db2.gz MWGAOLZZAWEUHM-QRQLOZEOSA-N 2 0 319.493 2.216 20 30 DEEDRP 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 635960481 /nfs/dbraw/zinc/96/04/81/635960481.db2.gz XOHLZTYGPATMSC-QRQLOZEOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776068 636051366 /nfs/dbraw/zinc/05/13/66/636051366.db2.gz HJVMGZZQEOIRNP-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC000922388922 636142228 /nfs/dbraw/zinc/14/22/28/636142228.db2.gz RWRTYMSWUJRIJD-QBPKDAKJSA-N 2 0 319.474 2.189 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001004367423 636394645 /nfs/dbraw/zinc/39/46/45/636394645.db2.gz CMXOMSHXNSJOET-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004454020 636450878 /nfs/dbraw/zinc/45/08/78/636450878.db2.gz ZHPAECRBMHMXBJ-KBAYOESNSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001004586461 636494515 /nfs/dbraw/zinc/49/45/15/636494515.db2.gz TUEOYGXXVGTWIC-MRXNPFEDSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595834 636497839 /nfs/dbraw/zinc/49/78/39/636497839.db2.gz JKOZHGLEZSPULO-FUHWJXTLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005991548 637046005 /nfs/dbraw/zinc/04/60/05/637046005.db2.gz OUNDJLZZPGTLRM-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503941 637219115 /nfs/dbraw/zinc/21/91/15/637219115.db2.gz RDKNORIQCRJOHD-KRWDZBQOSA-N 2 0 319.493 2.289 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001006183349 637269442 /nfs/dbraw/zinc/26/94/42/637269442.db2.gz MDPHWJSBYQQCTR-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C[C@@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000895297479 637901688 /nfs/dbraw/zinc/90/16/88/637901688.db2.gz WXZZJHHKTORQHG-INIZCTEOSA-N 2 0 314.477 2.452 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000985713379 639596200 /nfs/dbraw/zinc/59/62/00/639596200.db2.gz VJTZCJLAUHPKMK-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000987187114 640113127 /nfs/dbraw/zinc/11/31/27/640113127.db2.gz ANBQJPJVTWSUDN-WMLDXEAASA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483827 641121875 /nfs/dbraw/zinc/12/18/75/641121875.db2.gz YDAQYEVEEKNDKI-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989730179 641209627 /nfs/dbraw/zinc/20/96/27/641209627.db2.gz MWFZSOSMJMOEMV-UHFFFAOYSA-N 2 0 301.434 2.082 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990764180 641962048 /nfs/dbraw/zinc/96/20/48/641962048.db2.gz PNIFWPHIXQFNLR-DODZYUBVSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000900015742 642237820 /nfs/dbraw/zinc/23/78/20/642237820.db2.gz YWCOQZPWFUIXOC-UHFFFAOYSA-N 2 0 303.450 2.133 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000900191711 642286700 /nfs/dbraw/zinc/28/67/00/642286700.db2.gz UMEHVVQKUNRDHU-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000900335716 642324529 /nfs/dbraw/zinc/32/45/29/642324529.db2.gz KCLQNHQXUSSJFG-HUUCEWRRSA-N 2 0 309.498 2.367 20 30 DEEDRP CC1(C)C[NH2+]C[C@@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000902448721 643044910 /nfs/dbraw/zinc/04/49/10/643044910.db2.gz HMYWPEDYNKBZEN-SFHVURJKSA-N 2 0 312.461 2.110 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000798284304 644996896 /nfs/dbraw/zinc/99/68/96/644996896.db2.gz BFXLHABJESQBKT-UHFFFAOYSA-N 2 0 323.868 2.348 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000911637409 645759020 /nfs/dbraw/zinc/75/90/20/645759020.db2.gz WMQNZPLJWNRNPT-SFHVURJKSA-N 2 0 315.461 2.405 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CC1 ZINC000151416348 646376148 /nfs/dbraw/zinc/37/61/48/646376148.db2.gz GXOLQAINDSYBNJ-KRWDZBQOSA-N 2 0 314.477 2.398 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261998970 647161386 /nfs/dbraw/zinc/16/13/86/647161386.db2.gz TWJFNMUCYPMOLP-BFYDXBDKSA-N 2 0 304.482 2.381 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994119867 647789170 /nfs/dbraw/zinc/78/91/70/647789170.db2.gz GGCSUYOLVHAEDX-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994253252 647861505 /nfs/dbraw/zinc/86/15/05/647861505.db2.gz NDXHQIWMRPITEM-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824955612 648677777 /nfs/dbraw/zinc/67/77/77/648677777.db2.gz XJTOPURJZMKLLH-MOPGFXCFSA-N 2 0 315.461 2.262 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785075 648941443 /nfs/dbraw/zinc/94/14/43/648941443.db2.gz HBFGFMLNZGVSJO-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896059 648964746 /nfs/dbraw/zinc/96/47/46/648964746.db2.gz RMNYYEYVCLMTLZ-INIZCTEOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941031566 648989694 /nfs/dbraw/zinc/98/96/94/648989694.db2.gz ASHRQTKEWBGJOZ-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](C)C1 ZINC000942053854 649145112 /nfs/dbraw/zinc/14/51/12/649145112.db2.gz UYRUQAIAERJBPZ-WMLDXEAASA-N 2 0 324.428 2.106 20 30 DEEDRP C[NH+](C)CC1(CNC(=[NH2+])NCCc2ccccc2)CCCC1 ZINC000183833429 649176243 /nfs/dbraw/zinc/17/62/43/649176243.db2.gz VJSICMSHCHFFBW-UHFFFAOYSA-N 2 0 302.466 2.255 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558224 649244284 /nfs/dbraw/zinc/24/42/84/649244284.db2.gz TZXUZRRAMKOIJJ-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943287172 649358638 /nfs/dbraw/zinc/35/86/38/649358638.db2.gz IVKKHPVSWVLRRJ-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP CC(C)(C)[C@]1(CN=NC(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC000857206757 652077540 /nfs/dbraw/zinc/07/75/40/652077540.db2.gz GFTXCWMYIYWUBW-KRWDZBQOSA-N 2 0 301.438 2.394 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001393747906 1157947064 /nfs/dbraw/zinc/94/70/64/1157947064.db2.gz KGKBJAFSEVTULN-JSGCOSHPSA-N 2 0 315.889 2.153 20 30 DEEDRP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C12CCCC2 ZINC000304757956 685259787 /nfs/dbraw/zinc/25/97/87/685259787.db2.gz PLBDICHZYHPQOR-BZUAXINKSA-N 2 0 322.497 2.113 20 30 DEEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCSCC1)c1ccccc1 ZINC000304765259 685261226 /nfs/dbraw/zinc/26/12/26/685261226.db2.gz YZTNIGWHMKAEOI-CQSZACIVSA-N 2 0 320.506 2.479 20 30 DEEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])N1CCSCC1)c1ccccc1 ZINC000304765258 685261245 /nfs/dbraw/zinc/26/12/45/685261245.db2.gz YZTNIGWHMKAEOI-AWEZNQCLSA-N 2 0 320.506 2.479 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000305193764 685282773 /nfs/dbraw/zinc/28/27/73/685282773.db2.gz VRIWOOCVZRRIAP-INIZCTEOSA-N 2 0 313.449 2.099 20 30 DEEDRP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])N1CCCCCC1 ZINC000126031587 684150613 /nfs/dbraw/zinc/15/06/13/684150613.db2.gz AUHMWKIFWIWLED-UHFFFAOYSA-N 2 0 318.465 2.318 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054198531 693879668 /nfs/dbraw/zinc/87/96/68/693879668.db2.gz ZEDIIAHDFVRSTN-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245064 693898980 /nfs/dbraw/zinc/89/89/80/693898980.db2.gz NYEDVITWOXXTEH-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303693483 685233264 /nfs/dbraw/zinc/23/32/64/685233264.db2.gz CCYXRGBSMRAXTD-UHFFFAOYSA-N 2 0 320.437 2.306 20 30 DEEDRP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000303877668 685236658 /nfs/dbraw/zinc/23/66/58/685236658.db2.gz FMYSXLPBUNEIHA-CVEARBPZSA-N 2 0 302.466 2.396 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000303899346 685238829 /nfs/dbraw/zinc/23/88/29/685238829.db2.gz ROVWLLUYKWFFLT-KRWDZBQOSA-N 2 0 300.450 2.304 20 30 DEEDRP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000303909383 685239715 /nfs/dbraw/zinc/23/97/15/685239715.db2.gz YDSQIPOSLGJNMA-OAHLLOKOSA-N 2 0 318.465 2.174 20 30 DEEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017790408 687962671 /nfs/dbraw/zinc/96/26/71/687962671.db2.gz GTIFQTSAQZLHGD-IYBDPMFKSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868284102 687968607 /nfs/dbraw/zinc/96/86/07/687968607.db2.gz PFSYQXUYNTUHDH-UHFFFAOYSA-N 2 0 322.497 2.199 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051883 688040090 /nfs/dbraw/zinc/04/00/90/688040090.db2.gz KWCLUIXEVSSPRE-FJIDUMEYSA-N 2 0 317.477 2.255 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001026493935 688528566 /nfs/dbraw/zinc/52/85/66/688528566.db2.gz SNIWOWOBZIEOPW-UHFFFAOYSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031672930 688977632 /nfs/dbraw/zinc/97/76/32/688977632.db2.gz SIEIVBWEGJFAHX-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032053173 689049696 /nfs/dbraw/zinc/04/96/96/689049696.db2.gz RPZBHIDXBLNJIV-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557918 689185770 /nfs/dbraw/zinc/18/57/70/689185770.db2.gz WZIBXPQQHWVJBV-HOTGVXAUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628433 689206440 /nfs/dbraw/zinc/20/64/40/689206440.db2.gz ANSCUBKOERCGIN-RLFYNMQTSA-N 2 0 323.456 2.060 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504133 689523856 /nfs/dbraw/zinc/52/38/56/689523856.db2.gz DGVSKOPMSHFRIV-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339437 689814716 /nfs/dbraw/zinc/81/47/16/689814716.db2.gz FRSJCFBFJGNWPW-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000876718177 689913882 /nfs/dbraw/zinc/91/38/82/689913882.db2.gz MSNCKQDNQBYTCA-AWEZNQCLSA-N 2 0 311.813 2.035 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000876765019 689930131 /nfs/dbraw/zinc/93/01/31/689930131.db2.gz YHVAAXMSWMOHTR-ZIAGYGMSSA-N 2 0 315.889 2.473 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001034714672 689932906 /nfs/dbraw/zinc/93/29/06/689932906.db2.gz DRUUSIOFEYVQQR-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001034777050 689946095 /nfs/dbraw/zinc/94/60/95/689946095.db2.gz NVSMFIJFFCVSBA-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035194239 690056734 /nfs/dbraw/zinc/05/67/34/690056734.db2.gz XAOSQTUJPSSCTA-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000877267605 690060914 /nfs/dbraw/zinc/06/09/14/690060914.db2.gz ZVHSNSISYYUSDA-OAHLLOKOSA-N 2 0 315.889 2.283 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035796746 690178687 /nfs/dbraw/zinc/17/86/87/690178687.db2.gz MFDFUIBTTRCZMZ-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035858261 690194883 /nfs/dbraw/zinc/19/48/83/690194883.db2.gz RGXTYAXIYPCLDS-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001036056930 690248540 /nfs/dbraw/zinc/24/85/40/690248540.db2.gz WTNDQCSOKMVEEM-IUODEOHRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036832481 690492077 /nfs/dbraw/zinc/49/20/77/690492077.db2.gz CFXXDJUAVGOJIW-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833444 690492391 /nfs/dbraw/zinc/49/23/91/690492391.db2.gz UFUQEUGKMTTZJU-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859455 690501680 /nfs/dbraw/zinc/50/16/80/690501680.db2.gz QBDKWHJPKYZSSJ-MSOLQXFVSA-N 2 0 319.493 2.216 20 30 DEEDRP COCC[N@@H+](Cc1cccc(C#N)c1F)CC1CC[NH+](C)CC1 ZINC000879126547 690573429 /nfs/dbraw/zinc/57/34/29/690573429.db2.gz ZLJMNWNAJIUKLS-UHFFFAOYSA-N 2 0 319.424 2.488 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001037885057 690632774 /nfs/dbraw/zinc/63/27/74/690632774.db2.gz NIWSLOOLFNHBNL-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1CC ZINC001037955781 690648624 /nfs/dbraw/zinc/64/86/24/690648624.db2.gz AOERUPYPRCPWBE-HOCLYGCPSA-N 2 0 316.449 2.164 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039244331 691066548 /nfs/dbraw/zinc/06/65/48/691066548.db2.gz XRBCWVHIWYIBNH-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039269624 691072809 /nfs/dbraw/zinc/07/28/09/691072809.db2.gz TVLWSORIWKKZIB-NPYXIHBLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241713 691219421 /nfs/dbraw/zinc/21/94/21/691219421.db2.gz RPLFHQKQFFKDFN-HKUYNNGSSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040394154 691241389 /nfs/dbraw/zinc/24/13/89/691241389.db2.gz IQYBGZBJDPZCER-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040465051 691251284 /nfs/dbraw/zinc/25/12/84/691251284.db2.gz UOOSBDLCMBIOBJ-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040727104 691283034 /nfs/dbraw/zinc/28/30/34/691283034.db2.gz OIAVYSMWPDBWIN-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276214 691354772 /nfs/dbraw/zinc/35/47/72/691354772.db2.gz ISXOGSOCKGTWPN-MJGOQNOKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041408134 691372515 /nfs/dbraw/zinc/37/25/15/691372515.db2.gz KWZMMPBEFSQZPR-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041675725 691408825 /nfs/dbraw/zinc/40/88/25/691408825.db2.gz RQQFFWVQBUPGHQ-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC000883220958 691459353 /nfs/dbraw/zinc/45/93/53/691459353.db2.gz RSAVYCIMIVXXSH-DLBZAZTESA-N 2 0 309.498 2.116 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133347 691517287 /nfs/dbraw/zinc/51/72/87/691517287.db2.gz JDTMHNAEVAVORS-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132803 691517356 /nfs/dbraw/zinc/51/73/56/691517356.db2.gz FSBNTFCVHGZIKT-RHSMWYFYSA-N 2 0 310.401 2.057 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042286541 691557421 /nfs/dbraw/zinc/55/74/21/691557421.db2.gz ARJQADBFYOEFLQ-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371148 691584482 /nfs/dbraw/zinc/58/44/82/691584482.db2.gz MBRUUXNTVKVCET-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001044656290 691866828 /nfs/dbraw/zinc/86/68/28/691866828.db2.gz GWQZDGMSFCXHFS-DZGCQCFKSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045966270 692064487 /nfs/dbraw/zinc/06/44/87/692064487.db2.gz SMKHZXBJXOTLKB-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436743 692187356 /nfs/dbraw/zinc/18/73/56/692187356.db2.gz RNTFNDAWYZXWKP-GOSISDBHSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001048510583 692634848 /nfs/dbraw/zinc/63/48/48/692634848.db2.gz ONBLTIFQTUUDAE-YYIAUSFCSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001048849646 692709445 /nfs/dbraw/zinc/70/94/45/692709445.db2.gz ORNQKCNEUYYIDF-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571573 692925444 /nfs/dbraw/zinc/92/54/44/692925444.db2.gz DVXXROQQUIWTCS-IAGOWNOFSA-N 2 0 310.401 2.199 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001049718403 692974689 /nfs/dbraw/zinc/97/46/89/692974689.db2.gz IYWOAWGXQPZTJU-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050804 693092935 /nfs/dbraw/zinc/09/29/35/693092935.db2.gz IBHPJHXWVHERGI-WNRNVDISSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050183865 693131869 /nfs/dbraw/zinc/13/18/69/693131869.db2.gz VYBWELKXEOGLJK-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001050581242 693210550 /nfs/dbraw/zinc/21/05/50/693210550.db2.gz HRPRLNBGAJZYGL-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001050591519 693212823 /nfs/dbraw/zinc/21/28/23/693212823.db2.gz SGOWDLWNJNVKQN-UHFFFAOYSA-N 2 0 310.401 2.058 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001050618102 693217929 /nfs/dbraw/zinc/21/79/29/693217929.db2.gz PVQJYXFBXUYIPJ-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000925882323 693359819 /nfs/dbraw/zinc/35/98/19/693359819.db2.gz KPBZXEJJLMOURD-ZWKOTPCHSA-N 2 0 312.461 2.240 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(NCc3cc(N)cc[nH+]3)CC2)cc1 ZINC000925772985 693338855 /nfs/dbraw/zinc/33/88/55/693338855.db2.gz YQKVTHOGJUMALK-UHFFFAOYSA-N 2 0 321.428 2.290 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764684 693614985 /nfs/dbraw/zinc/61/49/85/693614985.db2.gz QRUYOFNGLMNEJV-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052864985 693636687 /nfs/dbraw/zinc/63/66/87/693636687.db2.gz BXQHYMZYHOPEGP-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052955329 693656165 /nfs/dbraw/zinc/65/61/65/693656165.db2.gz DAERJEDVUCHZEJ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051545 693677962 /nfs/dbraw/zinc/67/79/62/693677962.db2.gz NSCBEHIPDRWFMO-MSOLQXFVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001402286670 1162315133 /nfs/dbraw/zinc/31/51/33/1162315133.db2.gz CWVWQOTYXAEVTK-LSDHHAIUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001382020038 1153320388 /nfs/dbraw/zinc/32/03/88/1153320388.db2.gz QXUARNGBLDGYAH-HNNXBMFYSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001382315226 1153421008 /nfs/dbraw/zinc/42/10/08/1153421008.db2.gz WHLXHDWQDUUFCP-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001370963456 1155654105 /nfs/dbraw/zinc/65/41/05/1155654105.db2.gz NBCCTOTXMQWCNJ-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391353832 1156352513 /nfs/dbraw/zinc/35/25/13/1156352513.db2.gz MIXKATKTSWLQGF-CABCVRRESA-N 2 0 315.889 2.105 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001373768013 1157350884 /nfs/dbraw/zinc/35/08/84/1157350884.db2.gz BRJISXDFAMRBJX-CYBMUJFWSA-N 2 0 320.824 2.493 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001375793867 1158873965 /nfs/dbraw/zinc/87/39/65/1158873965.db2.gz QTGPBCJIXSXCSO-OAHLLOKOSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001397230422 1160067561 /nfs/dbraw/zinc/06/75/61/1160067561.db2.gz DFNRNQLHRKUZHV-HNNXBMFYSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001400927095 1161847562 /nfs/dbraw/zinc/84/75/62/1161847562.db2.gz VFSGMSOZWKCYKY-CQSZACIVSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001400987636 1161856267 /nfs/dbraw/zinc/85/62/67/1161856267.db2.gz IMQOHVBDMWAYFK-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001417839350 1167247592 /nfs/dbraw/zinc/24/75/92/1167247592.db2.gz KEEZLBCTRAZUTG-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001418189862 1167471834 /nfs/dbraw/zinc/47/18/34/1167471834.db2.gz RCANVZUKIGLJAT-UHFFFAOYSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001424724486 1173888379 /nfs/dbraw/zinc/88/83/79/1173888379.db2.gz HNBLIOSEFHJZBE-NRXISQOPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001426140348 1174613857 /nfs/dbraw/zinc/61/38/57/1174613857.db2.gz UJBZTRRGLBMKKU-JSGCOSHPSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001437836866 1180023156 /nfs/dbraw/zinc/02/31/56/1180023156.db2.gz AUWCWYJSOYZLBS-HIFRSBDPSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438308819 1180337824 /nfs/dbraw/zinc/33/78/24/1180337824.db2.gz FMPYAGKJPSKULR-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001444817091 1183567692 /nfs/dbraw/zinc/56/76/92/1183567692.db2.gz MIVHFYMMHBUDQF-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001444827752 1183577097 /nfs/dbraw/zinc/57/70/97/1183577097.db2.gz MJXXZRPBWHXNCZ-ZFWWWQNUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001448556446 1185292619 /nfs/dbraw/zinc/29/26/19/1185292619.db2.gz AMEBPUZQZJNXNM-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001448885712 1185446477 /nfs/dbraw/zinc/44/64/77/1185446477.db2.gz XWIWJHASZVBJQK-UHFFFAOYSA-N 2 0 300.406 2.223 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106112030 782259926 /nfs/dbraw/zinc/25/99/26/782259926.db2.gz VTXXOAWZCYIAIR-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257047 782384236 /nfs/dbraw/zinc/38/42/36/782384236.db2.gz VGAFUOOZANDJQI-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210783 782521337 /nfs/dbraw/zinc/52/13/37/782521337.db2.gz FHEWIEPBJGAYJA-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001332804068 1149894114 /nfs/dbraw/zinc/89/41/14/1149894114.db2.gz ANWFPJCBYXHVTC-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001333354213 1150038475 /nfs/dbraw/zinc/03/84/75/1150038475.db2.gz FZIBOZADYKVGCH-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621367 782816254 /nfs/dbraw/zinc/81/62/54/782816254.db2.gz HWQMNBSPMKADML-SOLBZPMBSA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106776504 782929993 /nfs/dbraw/zinc/92/99/93/782929993.db2.gz QACZNDZBVLKLBL-KZNAEPCWSA-N 2 0 321.509 2.060 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401074 783068848 /nfs/dbraw/zinc/06/88/48/783068848.db2.gz OMYCEZMAIOSDMV-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050383 790418584 /nfs/dbraw/zinc/41/85/84/790418584.db2.gz XMQHXMLKSKISHI-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237080 776789838 /nfs/dbraw/zinc/78/98/38/776789838.db2.gz UAIOAJNZZWYJMA-JKSUJKDBSA-N 2 0 307.482 2.026 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468517 776929272 /nfs/dbraw/zinc/92/92/72/776929272.db2.gz BEVTZDUKQVQQFY-UHFFFAOYSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167391619 776982974 /nfs/dbraw/zinc/98/29/74/776982974.db2.gz OGPLDVHWHACJIU-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669249 778516091 /nfs/dbraw/zinc/51/60/91/778516091.db2.gz PRMIACUQKBKPPL-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602323 779375017 /nfs/dbraw/zinc/37/50/17/779375017.db2.gz KJGMTLHDLCUQPW-OKZBNKHCSA-N 2 0 319.493 2.242 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211273 779774026 /nfs/dbraw/zinc/77/40/26/779774026.db2.gz ADKYIDANOCXWKB-MSOLQXFVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000985474570 779857826 /nfs/dbraw/zinc/85/78/26/779857826.db2.gz NYVXXVJAZNYHFU-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001088315147 779939118 /nfs/dbraw/zinc/93/91/18/779939118.db2.gz PSZLXSUMPFJLTG-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+](CC)CC)CCC1 ZINC001105568434 780767348 /nfs/dbraw/zinc/76/73/48/780767348.db2.gz PBUWCNRGIADENO-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576652 780772590 /nfs/dbraw/zinc/77/25/90/780772590.db2.gz KAAKYYRRQPLQAC-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001091029722 790840680 /nfs/dbraw/zinc/84/06/80/790840680.db2.gz UDSGGHJMOVGMJA-AQFXKWCLSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C[C@H]1C ZINC000947941214 783274656 /nfs/dbraw/zinc/27/46/56/783274656.db2.gz ZGHHGPXAQJIKGQ-HUUCEWRRSA-N 2 0 316.449 2.306 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089690052 783355066 /nfs/dbraw/zinc/35/50/66/783355066.db2.gz KOAMPAHOKBQOFX-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000948425019 783460329 /nfs/dbraw/zinc/46/03/29/783460329.db2.gz NBUCPLUMSVVUBV-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085253888 783605111 /nfs/dbraw/zinc/60/51/11/783605111.db2.gz KNZRXLIWRRQVTJ-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086278918 784538971 /nfs/dbraw/zinc/53/89/71/784538971.db2.gz VZCXLPSWTKDAAF-FZNQNYSPSA-N 2 0 301.434 2.032 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC000968732529 784562194 /nfs/dbraw/zinc/56/21/94/784562194.db2.gz OCTVQAHWGOXZTP-HUUCEWRRSA-N 2 0 304.438 2.163 20 30 DEEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968863232 784624630 /nfs/dbraw/zinc/62/46/30/784624630.db2.gz BIVQQBMBKKTVLU-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086387011 784640415 /nfs/dbraw/zinc/64/04/15/784640415.db2.gz OOLVDZBXWMXNQV-BRWVUGGUSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169142093 785061290 /nfs/dbraw/zinc/06/12/90/785061290.db2.gz ZSGYRZKXJBLRGB-PJVZLEMVSA-N 2 0 320.477 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749662 785524337 /nfs/dbraw/zinc/52/43/37/785524337.db2.gz HKKWRGHUXOFCQG-ZNMIVQPWSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563300 786159069 /nfs/dbraw/zinc/15/90/69/786159069.db2.gz PQOQKJSIGINPLQ-AOIWGVFYSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001112910938 786290489 /nfs/dbraw/zinc/29/04/89/786290489.db2.gz MNONZHRQAHRIFY-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001113674752 786753554 /nfs/dbraw/zinc/75/35/54/786753554.db2.gz JDDDNIGWQCEVFQ-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014903464 786799129 /nfs/dbraw/zinc/79/91/29/786799129.db2.gz APHSMTYHWVCJQP-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713273 787196403 /nfs/dbraw/zinc/19/64/03/787196403.db2.gz LVRHDSBSYMJGBQ-SFHVURJKSA-N 2 0 315.461 2.171 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548380 788126237 /nfs/dbraw/zinc/12/62/37/788126237.db2.gz CMPNQCCCMXWHOX-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953220 788241104 /nfs/dbraw/zinc/24/11/04/788241104.db2.gz CRYBAXPEWMWAMP-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133068821 788273104 /nfs/dbraw/zinc/27/31/04/788273104.db2.gz LPOMIBDTFIQNSC-DLBZAZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133337065 788370835 /nfs/dbraw/zinc/37/08/35/788370835.db2.gz IKJMVVYVZDNLRT-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133337362 788371329 /nfs/dbraw/zinc/37/13/29/788371329.db2.gz MQYXCDVKYKHJCR-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893344 788660445 /nfs/dbraw/zinc/66/04/45/788660445.db2.gz DOOYYIPRBKXEPX-UHFFFAOYSA-N 2 0 303.450 2.076 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784262 789082410 /nfs/dbraw/zinc/08/24/10/789082410.db2.gz SAIHQJHEXOKIFQ-HOTGVXAUSA-N 2 0 318.465 2.357 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790804 789087332 /nfs/dbraw/zinc/08/73/32/789087332.db2.gz ITZMMFQDOUXUIS-HUUCEWRRSA-N 2 0 307.482 2.146 20 30 DEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170816358 789352431 /nfs/dbraw/zinc/35/24/31/789352431.db2.gz DAOVHFVXWHUIBN-NVXWUHKLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902190 789553816 /nfs/dbraw/zinc/55/38/16/789553816.db2.gz OUGVOAGHJCVKAF-HUUCEWRRSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071954071 789985225 /nfs/dbraw/zinc/98/52/25/789985225.db2.gz JJOYCMGLUCNBDQ-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071973227 789995369 /nfs/dbraw/zinc/99/53/69/789995369.db2.gz FLBBTTYJMQPHST-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCC)CC1 ZINC001146614613 791324045 /nfs/dbraw/zinc/32/40/45/791324045.db2.gz ZATWKJJADDXXMT-SJORKVTESA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171327782 791721786 /nfs/dbraw/zinc/72/17/86/791721786.db2.gz DPVRHFRPTMBTRT-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC001091716559 791741949 /nfs/dbraw/zinc/74/19/49/791741949.db2.gz SGAYOQMCRGDVMO-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086941363 791856652 /nfs/dbraw/zinc/85/66/52/791856652.db2.gz ROCVGOSOISKTLG-INIZCTEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956552 791864430 /nfs/dbraw/zinc/86/44/30/791864430.db2.gz PWQCXDAMTZQHAH-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092129353 791934891 /nfs/dbraw/zinc/93/48/91/791934891.db2.gz IKULRCNPJYKSLP-MJGOQNOKSA-N 2 0 319.493 2.075 20 30 DEEDRP 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 792090745 /nfs/dbraw/zinc/09/07/45/792090745.db2.gz BNOOANLEDRSCDE-VQHPVUNQSA-N 2 0 307.482 2.403 20 30 DEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115349 792102486 /nfs/dbraw/zinc/10/24/86/792102486.db2.gz GXNKWPQSXHIYRP-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099310550 792167322 /nfs/dbraw/zinc/16/73/22/792167322.db2.gz PHHSYYMUYFACPU-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319487 792589862 /nfs/dbraw/zinc/58/98/62/792589862.db2.gz OGGSMCQLEWDPEX-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480208 792676890 /nfs/dbraw/zinc/67/68/90/792676890.db2.gz GMLWMXKYIPTVJE-UHFFFAOYSA-N 2 0 312.417 2.399 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094469277 792930175 /nfs/dbraw/zinc/93/01/75/792930175.db2.gz OMXNBCGOFULRTR-IEBWSBKVSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443724 793164532 /nfs/dbraw/zinc/16/45/32/793164532.db2.gz PTBGFLXODJUQLR-LMMKCTJWSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001094961810 793516676 /nfs/dbraw/zinc/51/66/76/793516676.db2.gz KZTBIZOSMQCTOI-LESCRADOSA-N 2 0 324.428 2.493 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213526 793531825 /nfs/dbraw/zinc/53/18/25/793531825.db2.gz JTNMFZOYZSHWRG-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524860 793640630 /nfs/dbraw/zinc/64/06/30/793640630.db2.gz ZYVXKOHQICJLAR-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103234055 793994198 /nfs/dbraw/zinc/99/41/98/793994198.db2.gz YPYKOAGTFVDHKG-HZPDHXFCSA-N 2 0 324.428 2.045 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175573946 794245515 /nfs/dbraw/zinc/24/55/15/794245515.db2.gz RPSUSQCUGYEMLS-SJORKVTESA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926687 794527879 /nfs/dbraw/zinc/52/78/79/794527879.db2.gz CWHCXSONXYKQOD-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCC2CCC2)CC1 ZINC001176926794 794529369 /nfs/dbraw/zinc/52/93/69/794529369.db2.gz VIPPAYJALCRCTJ-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCCCC=C)CC1 ZINC001176926465 794529668 /nfs/dbraw/zinc/52/96/68/794529668.db2.gz NKQFWFJPVPHJHT-UHFFFAOYSA-N 2 0 319.493 2.174 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001177348448 794651888 /nfs/dbraw/zinc/65/18/88/794651888.db2.gz IDHIZIUIBKGUGF-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001115118652 794682854 /nfs/dbraw/zinc/68/28/54/794682854.db2.gz JMGNYQGNBROVIR-VXNCWWDNSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630690 794850625 /nfs/dbraw/zinc/85/06/25/794850625.db2.gz VJXIEAPYGUINCU-UHFFFAOYSA-N 2 0 324.428 2.380 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178816085 795015091 /nfs/dbraw/zinc/01/50/91/795015091.db2.gz TVPBUBYEJZYJPD-SJORKVTESA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120033074 795394865 /nfs/dbraw/zinc/39/48/65/795394865.db2.gz SIJZYSWOUMUNKR-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120140892 795411128 /nfs/dbraw/zinc/41/11/28/795411128.db2.gz OUFAATGDZITAMP-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120429829 795458851 /nfs/dbraw/zinc/45/88/51/795458851.db2.gz BUGFYZPNHHLRII-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121245540 795606769 /nfs/dbraw/zinc/60/67/69/795606769.db2.gz HEWLOUOQNANOPC-APUKJBRXSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001183221531 795828712 /nfs/dbraw/zinc/82/87/12/795828712.db2.gz OWZQVADNNXXVHE-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183648628 795906172 /nfs/dbraw/zinc/90/61/72/795906172.db2.gz WJLBLWKSSMAKLP-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184654788 796101034 /nfs/dbraw/zinc/10/10/34/796101034.db2.gz WOQBOWFPGJEKMO-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3nccn32)C[C@H]1C ZINC001184799769 796127491 /nfs/dbraw/zinc/12/74/91/796127491.db2.gz QHLSDPCIIYGSHI-CABCVRRESA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185547508 796289944 /nfs/dbraw/zinc/28/99/44/796289944.db2.gz IGJGIFKIAPAEFJ-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C#C[C@@H]1CCC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257425 796350111 /nfs/dbraw/zinc/35/01/11/796350111.db2.gz BDFHNWYPERXNNP-CQSZACIVSA-N 2 0 302.418 2.308 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082723 796357024 /nfs/dbraw/zinc/35/70/24/796357024.db2.gz NVOWFTAQPSOXJB-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001186975513 796468401 /nfs/dbraw/zinc/46/84/01/796468401.db2.gz QKNYOCFAKWPVRE-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699813 796795702 /nfs/dbraw/zinc/79/57/02/796795702.db2.gz UDPAYYWPXDWPGC-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454662 796833755 /nfs/dbraw/zinc/83/37/55/796833755.db2.gz ZQFMGOJYOPNQGX-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190655177 797049638 /nfs/dbraw/zinc/04/96/38/797049638.db2.gz OJZCMHKCHSNTFV-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989142 797295356 /nfs/dbraw/zinc/29/53/56/797295356.db2.gz QLPDCNSRPVPEDC-MRXNPFEDSA-N 2 0 319.449 2.454 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154887692 797633488 /nfs/dbraw/zinc/63/34/88/797633488.db2.gz CRUGBDIVOKCBEM-CQSZACIVSA-N 2 0 307.438 2.358 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273911 797696451 /nfs/dbraw/zinc/69/64/51/797696451.db2.gz BSZQTQBPECGPTQ-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883943 797873451 /nfs/dbraw/zinc/87/34/51/797873451.db2.gz RSXIRTSFFYQKPW-IAGOWNOFSA-N 2 0 309.498 2.203 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001196295994 798036887 /nfs/dbraw/zinc/03/68/87/798036887.db2.gz WVYFACHTFXCKRQ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641324 798081648 /nfs/dbraw/zinc/08/16/48/798081648.db2.gz AJQDKILRPCONDY-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001203901979 798318435 /nfs/dbraw/zinc/31/84/35/798318435.db2.gz ATBJOCWJWIITTB-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158195789 798358059 /nfs/dbraw/zinc/35/80/59/798358059.db2.gz DTIFHRGAIICQJY-QGZVFWFLSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001158468380 798411403 /nfs/dbraw/zinc/41/14/03/798411403.db2.gz UXSUWGULBBJXTL-HUUCEWRRSA-N 2 0 316.449 2.329 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838437 798616641 /nfs/dbraw/zinc/61/66/41/798616641.db2.gz MPLDSDJPUXSYNC-DLBZAZTESA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155359 798656522 /nfs/dbraw/zinc/65/65/22/798656522.db2.gz CHYFLUIGPMPSRZ-GOSISDBHSA-N 2 0 317.477 2.043 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200636230 798659969 /nfs/dbraw/zinc/65/99/69/798659969.db2.gz HKFOSOIWKMWBPA-BFYDXBDKSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160353546 798679261 /nfs/dbraw/zinc/67/92/61/798679261.db2.gz XFIRFBCHOLKHEJ-QGZVFWFLSA-N 2 0 305.466 2.041 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924451 798968891 /nfs/dbraw/zinc/96/88/91/798968891.db2.gz CYPUAZLYNFOKDI-IAGOWNOFSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164536901 799619408 /nfs/dbraw/zinc/61/94/08/799619408.db2.gz UUBWEXNILWHHMM-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203324258 800037120 /nfs/dbraw/zinc/03/71/20/800037120.db2.gz GOHJDTJEUFKSHV-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576882 800084198 /nfs/dbraw/zinc/08/41/98/800084198.db2.gz KOXORTZDYGABDP-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1OC ZINC001205266717 800333241 /nfs/dbraw/zinc/33/32/41/800333241.db2.gz WPGDUWIFCYVPGL-SFHVURJKSA-N 2 0 302.418 2.411 20 30 DEEDRP C=C(C)COc1ccccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205672745 800398665 /nfs/dbraw/zinc/39/86/65/800398665.db2.gz LKDYJSYVYCNESN-SFHVURJKSA-N 2 0 304.434 2.317 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205752063 800413923 /nfs/dbraw/zinc/41/39/23/800413923.db2.gz UNNJCFOCJOWCKH-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCN(CC[NH+]1CCC2(C[NH+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001207203994 800708564 /nfs/dbraw/zinc/70/85/64/800708564.db2.gz YBGVUOFTAGQARI-UHFFFAOYSA-N 2 0 323.481 2.437 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2CCSCC2)CC1 ZINC001207756936 800824450 /nfs/dbraw/zinc/82/44/50/800824450.db2.gz WBNWPIDLESIPAC-UHFFFAOYSA-N 2 0 323.550 2.421 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261183 800942835 /nfs/dbraw/zinc/94/28/35/800942835.db2.gz KGGSEQQYDMGSBZ-HOTGVXAUSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463859 800989020 /nfs/dbraw/zinc/98/90/20/800989020.db2.gz UVIAIGMIJIFTKF-INIZCTEOSA-N 2 0 316.449 2.065 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208564044 801013590 /nfs/dbraw/zinc/01/35/90/801013590.db2.gz JYFANYRDRTXRBY-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001208596804 801023608 /nfs/dbraw/zinc/02/36/08/801023608.db2.gz ZVFFRMVVDQUWJN-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208749077 801061487 /nfs/dbraw/zinc/06/14/87/801061487.db2.gz OXYUBUFMZGKSOE-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250354 801158792 /nfs/dbraw/zinc/15/87/92/801158792.db2.gz DDNDZYRDLQZMGB-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591606 801430299 /nfs/dbraw/zinc/43/02/99/801430299.db2.gz DHXXOHGBNVMQPI-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210633818 801436311 /nfs/dbraw/zinc/43/63/11/801436311.db2.gz HPKBNGZPKGSDJF-SFHVURJKSA-N 2 0 321.509 2.493 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230628932 801442041 /nfs/dbraw/zinc/44/20/41/801442041.db2.gz LHLVPUTUNLVEKN-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211146553 801516973 /nfs/dbraw/zinc/51/69/73/801516973.db2.gz DEMBIXWVPGGMSR-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234430 801823641 /nfs/dbraw/zinc/82/36/41/801823641.db2.gz VABWHQHLLYDDPU-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215519115 801870700 /nfs/dbraw/zinc/87/07/00/801870700.db2.gz YGSNESMYXFSLBT-YUELXQCFSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053497 801931384 /nfs/dbraw/zinc/93/13/84/801931384.db2.gz PLAGTQXNERHZBU-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799802 802499040 /nfs/dbraw/zinc/49/90/40/802499040.db2.gz HHQMWAWQQFZRFP-AVGNSLFASA-N 2 0 321.387 2.107 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221562364 802594242 /nfs/dbraw/zinc/59/42/42/802594242.db2.gz ZJBLAPXHAGDTNO-XMTFNYHQSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877920 802623076 /nfs/dbraw/zinc/62/30/76/802623076.db2.gz QXOABPCXMGNHQO-KURKYZTESA-N 2 0 321.509 2.462 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001223202241 802772966 /nfs/dbraw/zinc/77/29/66/802772966.db2.gz BSSSFNOJQZJRFX-GOSISDBHSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)CN1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223707686 802809453 /nfs/dbraw/zinc/80/94/53/802809453.db2.gz YHTMEDDNBDTGGE-CABCVRRESA-N 2 0 313.873 2.004 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223697746 802810085 /nfs/dbraw/zinc/81/00/85/802810085.db2.gz JUAGKJOXFRGLOE-FGTMMUONSA-N 2 0 321.509 2.462 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224535192 802879741 /nfs/dbraw/zinc/87/97/41/802879741.db2.gz DQYNOFZJUVDBKQ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)CN1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225206421 802943928 /nfs/dbraw/zinc/94/39/28/802943928.db2.gz DSQDGKWPBPHUQC-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228646545 803386199 /nfs/dbraw/zinc/38/61/99/803386199.db2.gz HMQKSJUSYIDRMA-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001331073970 1149374876 /nfs/dbraw/zinc/37/48/76/1149374876.db2.gz FLSJBCBQTSRJTR-HZPDHXFCSA-N 2 0 307.482 2.358 20 30 DEEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335395202 1150405395 /nfs/dbraw/zinc/40/53/95/1150405395.db2.gz RMMOSBYPHHANPZ-INIZCTEOSA-N 2 0 314.433 2.207 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328748835 1148831156 /nfs/dbraw/zinc/83/11/56/1148831156.db2.gz IIHSZRKCTZVIJS-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001328783905 1148834773 /nfs/dbraw/zinc/83/47/73/1148834773.db2.gz AGIWGDJYCWUEDU-HNNXBMFYSA-N 2 0 315.889 2.394 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001328859328 1148842267 /nfs/dbraw/zinc/84/22/67/1148842267.db2.gz PLWRLRCPPAGKPW-SJJHQCBESA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001499944273 1058392818 /nfs/dbraw/zinc/39/28/18/1058392818.db2.gz MLUISRXTLYLJKK-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001500041822 1058448104 /nfs/dbraw/zinc/44/81/04/1058448104.db2.gz DZASSNLGZCFLLL-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001501399191 1059489590 /nfs/dbraw/zinc/48/95/90/1059489590.db2.gz CMWUYMISPXBJMP-KZNAEPCWSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001501746918 1059681788 /nfs/dbraw/zinc/68/17/88/1059681788.db2.gz WQEBIHDQJWTSSL-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001502004625 1059859004 /nfs/dbraw/zinc/85/90/04/1059859004.db2.gz AFAUZZZDRWGQCK-INIZCTEOSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505430898 1060582530 /nfs/dbraw/zinc/58/25/30/1060582530.db2.gz LVTJAILCPUNYMH-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001473807160 1060730207 /nfs/dbraw/zinc/73/02/07/1060730207.db2.gz KETRZTZKZSBPRI-CEXWTWQISA-N 2 0 300.446 2.377 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001479692459 1061606838 /nfs/dbraw/zinc/60/68/38/1061606838.db2.gz RILVSTLKRIKOSS-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506677788 1062271757 /nfs/dbraw/zinc/27/17/57/1062271757.db2.gz GZBHSQYFRIYVCS-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C(C)(C)C1 ZINC001506750516 1062359013 /nfs/dbraw/zinc/35/90/13/1062359013.db2.gz GMIWOWFAWRQARZ-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190348 1062442837 /nfs/dbraw/zinc/44/28/37/1062442837.db2.gz ZVJBHTKUQNHSTF-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001480255167 1062538859 /nfs/dbraw/zinc/53/88/59/1062538859.db2.gz QRIMJTHTSTZOQY-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480385889 1062770887 /nfs/dbraw/zinc/77/08/87/1062770887.db2.gz FSPJMRHLBOXTFB-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480547445 1063018154 /nfs/dbraw/zinc/01/81/54/1063018154.db2.gz AHEHOBKPPDLWFQ-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480833876 1063426086 /nfs/dbraw/zinc/42/60/86/1063426086.db2.gz ZFXLMIHFLWAQFS-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001493957291 1064040036 /nfs/dbraw/zinc/04/00/36/1064040036.db2.gz SWPAZFPQIIBWHR-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001494137701 1064135992 /nfs/dbraw/zinc/13/59/92/1064135992.db2.gz NRSLERGPIUGJFD-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494139764 1064137112 /nfs/dbraw/zinc/13/71/12/1064137112.db2.gz CWJCQUCLRJJPKU-INIZCTEOSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCC(C)(C)C)CC1 ZINC001567354245 1064154649 /nfs/dbraw/zinc/15/46/49/1064154649.db2.gz VXXYIUZSTJLHKK-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001567660101 1064324189 /nfs/dbraw/zinc/32/41/89/1064324189.db2.gz SWLXPWVGIDRCED-RCCFBDPRSA-N 2 0 315.461 2.350 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567682792 1064339853 /nfs/dbraw/zinc/33/98/53/1064339853.db2.gz PLCSEKXSSPHAMO-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567687861 1064347312 /nfs/dbraw/zinc/34/73/12/1064347312.db2.gz ATUPWDZPUWAEJN-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567699478 1064355589 /nfs/dbraw/zinc/35/55/89/1064355589.db2.gz LXSBOLCDABOJGI-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567706399 1064364780 /nfs/dbraw/zinc/36/47/80/1064364780.db2.gz VHEKWJDYNXDLFF-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001567727401 1064380981 /nfs/dbraw/zinc/38/09/81/1064380981.db2.gz IBJHJAKIHADKKJ-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567729502 1064382026 /nfs/dbraw/zinc/38/20/26/1064382026.db2.gz IGGDNRUTPCGXOG-HOTGVXAUSA-N 2 0 313.461 2.023 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567738658 1064390010 /nfs/dbraw/zinc/39/00/10/1064390010.db2.gz RFSVFNCHYTTZFC-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001495012460 1064641744 /nfs/dbraw/zinc/64/17/44/1064641744.db2.gz PPKSWVNJXIWXOC-AWEZNQCLSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001568176005 1064685164 /nfs/dbraw/zinc/68/51/64/1064685164.db2.gz PIYXUSQJMLVWOJ-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001568253719 1064728907 /nfs/dbraw/zinc/72/89/07/1064728907.db2.gz NPJZGOWXSRATOQ-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001568400498 1064838466 /nfs/dbraw/zinc/83/84/66/1064838466.db2.gz LLBOLCZWVZFRLG-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568506562 1064919284 /nfs/dbraw/zinc/91/92/84/1064919284.db2.gz QQKCUDQRAGTAPE-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001495461745 1064921739 /nfs/dbraw/zinc/92/17/39/1064921739.db2.gz DNHXOFLKZBQXMO-WKILWMFISA-N 2 0 324.428 2.297 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568697883 1065057576 /nfs/dbraw/zinc/05/75/76/1065057576.db2.gz UEEWFOLPOZDYBI-OAHLLOKOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568928062 1065196110 /nfs/dbraw/zinc/19/61/10/1065196110.db2.gz HAXHNEKEQKJBSF-NFAHFFEMSA-N 2 0 313.873 2.264 20 30 DEEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569203449 1065364368 /nfs/dbraw/zinc/36/43/68/1065364368.db2.gz VBEOEOZECKIJOF-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001496364618 1065427599 /nfs/dbraw/zinc/42/75/99/1065427599.db2.gz TXEVUHZDVCMYMB-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001569611016 1065622742 /nfs/dbraw/zinc/62/27/42/1065622742.db2.gz YYVSEAQJGJJLJW-SZMVWBNQSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001569703293 1065679555 /nfs/dbraw/zinc/67/95/55/1065679555.db2.gz POFXHZLFZOTZQQ-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001626751062 1078261500 /nfs/dbraw/zinc/26/15/00/1078261500.db2.gz RBICWBRSDXSORN-UHFFFAOYSA-N 2 0 303.450 2.328 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001570014046 1065882849 /nfs/dbraw/zinc/88/28/49/1065882849.db2.gz XDQDHJPAHCMGBJ-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001570031330 1065894216 /nfs/dbraw/zinc/89/42/16/1065894216.db2.gz MDSLEMKCQFNQNN-WMLDXEAASA-N 2 0 303.450 2.480 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001570039178 1065898750 /nfs/dbraw/zinc/89/87/50/1065898750.db2.gz HPWGQSMPFTUUPK-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001570122386 1065933300 /nfs/dbraw/zinc/93/33/00/1065933300.db2.gz KTADGKCOHPMKKY-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001570510502 1066101049 /nfs/dbraw/zinc/10/10/49/1066101049.db2.gz DCHJIEQBXHSCHL-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001634640331 1078434364 /nfs/dbraw/zinc/43/43/64/1078434364.db2.gz BJFFGRWKZKYJMT-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001499461755 1067228960 /nfs/dbraw/zinc/22/89/60/1067228960.db2.gz PBOVBKXLPMJFFA-UHFFFAOYSA-N 2 0 301.434 2.176 20 30 DEEDRP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001499530212 1067248521 /nfs/dbraw/zinc/24/85/21/1067248521.db2.gz FWMYQNXTLTVMKW-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001483445499 1078537541 /nfs/dbraw/zinc/53/75/41/1078537541.db2.gz XVLIYBUKAMIEHO-IRXDYDNUSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001267108358 1078586202 /nfs/dbraw/zinc/58/62/02/1078586202.db2.gz NIQZZGVPLSLXFR-INIZCTEOSA-N 2 0 318.465 2.242 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001483564998 1078600620 /nfs/dbraw/zinc/60/06/20/1078600620.db2.gz ANHKYHFSJJEADQ-MSOLQXFVSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001483584163 1078612142 /nfs/dbraw/zinc/61/21/42/1078612142.db2.gz VXSJBZZCJZUILQ-ZWKOTPCHSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001483584160 1078612293 /nfs/dbraw/zinc/61/22/93/1078612293.db2.gz VXSJBZZCJZUILQ-MSOLQXFVSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001570620203 1068039689 /nfs/dbraw/zinc/03/96/89/1068039689.db2.gz BRMQIFFAFNVBMF-HZPDHXFCSA-N 2 0 317.477 2.463 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267181745 1078646120 /nfs/dbraw/zinc/64/61/20/1078646120.db2.gz NBHXLRBAWRGYAT-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001267191809 1078653893 /nfs/dbraw/zinc/65/38/93/1078653893.db2.gz YZOJGULYHRSKRL-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001571121873 1068183695 /nfs/dbraw/zinc/18/36/95/1068183695.db2.gz OEFJZHYJLPCRHM-CTYIDZIISA-N 2 0 321.490 2.484 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001571132192 1068185849 /nfs/dbraw/zinc/18/58/49/1068185849.db2.gz JMHGQBPWYNEEMP-WKILWMFISA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001571568825 1068424863 /nfs/dbraw/zinc/42/48/63/1068424863.db2.gz RDPFZVTZKHDXHP-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC001574836950 1069274417 /nfs/dbraw/zinc/27/44/17/1069274417.db2.gz XRIJDBHROOMEAH-GOSISDBHSA-N 2 0 313.445 2.378 20 30 DEEDRP C=CCCC1(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCC1 ZINC001574901690 1069291438 /nfs/dbraw/zinc/29/14/38/1069291438.db2.gz PKLBVTWGPYQEOR-INIZCTEOSA-N 2 0 307.482 2.300 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001267494368 1078919186 /nfs/dbraw/zinc/91/91/86/1078919186.db2.gz SKSMSMZCVKSZTC-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001267520548 1078950705 /nfs/dbraw/zinc/95/07/05/1078950705.db2.gz MFUFJRFXGCAXGO-QZTJIDSGSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267601563 1079137920 /nfs/dbraw/zinc/13/79/20/1079137920.db2.gz PDYJHJSODKUNAS-GOSISDBHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001483811660 1079135727 /nfs/dbraw/zinc/13/57/27/1079135727.db2.gz VWASOLSEOOIORM-ZACQAIPSSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001483863048 1079157677 /nfs/dbraw/zinc/15/76/77/1079157677.db2.gz KRGJOPATNHHIDB-DOTOQJQBSA-N 2 0 307.482 2.357 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001483935140 1079195555 /nfs/dbraw/zinc/19/55/55/1079195555.db2.gz SSVNDOJNBRGVAR-IAGOWNOFSA-N 2 0 316.449 2.074 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001483983665 1079226198 /nfs/dbraw/zinc/22/61/98/1079226198.db2.gz JNEFMRFOTOCXFN-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267683643 1079371908 /nfs/dbraw/zinc/37/19/08/1079371908.db2.gz SHCZTCSTLRLCOX-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+](CC)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001566556125 1075281278 /nfs/dbraw/zinc/28/12/78/1075281278.db2.gz DFZSSFUCKKDBGI-UHFFFAOYSA-N 2 0 312.417 2.108 20 30 DEEDRP C#CCC[N@H+](CC)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001566566666 1075284238 /nfs/dbraw/zinc/28/42/38/1075284238.db2.gz INJFYZWTQCNYPH-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001566674520 1075313196 /nfs/dbraw/zinc/31/31/96/1075313196.db2.gz SZVGTAMXRXZALJ-IRXDYDNUSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001567133328 1075440008 /nfs/dbraw/zinc/44/00/08/1075440008.db2.gz XXMFYMKMKRLMNQ-INIZCTEOSA-N 2 0 315.461 2.028 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267725210 1079414494 /nfs/dbraw/zinc/41/44/94/1079414494.db2.gz JHZKPAAYWXIGTB-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCOCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001620891178 1076703714 /nfs/dbraw/zinc/70/37/14/1076703714.db2.gz XRHXJCOIEJWPOF-UHFFFAOYSA-N 2 0 303.450 2.121 20 30 DEEDRP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267919104 1079601494 /nfs/dbraw/zinc/60/14/94/1079601494.db2.gz PAAGJQYHIHNNPM-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C/CC)C1 ZINC001267942080 1079622553 /nfs/dbraw/zinc/62/25/53/1079622553.db2.gz ACQIIPRAJUUXSE-VGRIIWOTSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267994967 1079673238 /nfs/dbraw/zinc/67/32/38/1079673238.db2.gz ZKPLJYRSGLJQDS-ZDUSSCGKSA-N 2 0 300.406 2.174 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001481333347 1079728304 /nfs/dbraw/zinc/72/83/04/1079728304.db2.gz OTKJFFZVTGUPMR-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001485110912 1079988155 /nfs/dbraw/zinc/98/81/55/1079988155.db2.gz ZEPFTDFNWABREL-UHFFFAOYSA-N 2 0 301.434 2.032 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268082320 1080036156 /nfs/dbraw/zinc/03/61/56/1080036156.db2.gz VWSPWUUVMQKKHP-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001656108945 1080047980 /nfs/dbraw/zinc/04/79/80/1080047980.db2.gz AOHYDLMOVLUHMI-SJORKVTESA-N 2 0 309.498 2.441 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001268214536 1080200324 /nfs/dbraw/zinc/20/03/24/1080200324.db2.gz VLGXNHCJLADBMA-YESZJQIVSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001268214804 1080200529 /nfs/dbraw/zinc/20/05/29/1080200529.db2.gz WVRNAYWVTPNIIH-SJORKVTESA-N 2 0 307.482 2.025 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001485449046 1080213242 /nfs/dbraw/zinc/21/32/42/1080213242.db2.gz DUKGNUJEVNLDGY-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH2+]C[C@H](CCCC)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485466077 1080223056 /nfs/dbraw/zinc/22/30/56/1080223056.db2.gz POQIYDPRPHQAJF-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481647928 1080234333 /nfs/dbraw/zinc/23/43/33/1080234333.db2.gz JZOLXUXXSPVCEO-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1nccn1C ZINC001485479791 1080244120 /nfs/dbraw/zinc/24/41/20/1080244120.db2.gz HBHROZMKPIZSPG-MRXNPFEDSA-N 2 0 318.465 2.290 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001481670317 1080281324 /nfs/dbraw/zinc/28/13/24/1080281324.db2.gz FPSVDAGNZAGNRQ-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481688538 1080299224 /nfs/dbraw/zinc/29/92/24/1080299224.db2.gz ZAUZZPLURROYDT-ZWKOTPCHSA-N 2 0 321.509 2.489 20 30 DEEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001485671023 1080357187 /nfs/dbraw/zinc/35/71/87/1080357187.db2.gz WCFRYRXCPRPOAN-KDURUIRLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001485702569 1080384148 /nfs/dbraw/zinc/38/41/48/1080384148.db2.gz WTNUUILRJZDOHN-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001660798144 1080398186 /nfs/dbraw/zinc/39/81/86/1080398186.db2.gz MHEJVQXIPQUNPX-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001661143170 1080447209 /nfs/dbraw/zinc/44/72/09/1080447209.db2.gz RROUWOKBMIHLJM-QGZVFWFLSA-N 2 0 312.417 2.317 20 30 DEEDRP C=C(C)CN1CC[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272718271 1080499249 /nfs/dbraw/zinc/49/92/49/1080499249.db2.gz GBHKSKKFSVQJLK-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001661613907 1080499463 /nfs/dbraw/zinc/49/94/63/1080499463.db2.gz BFFVDKDLCZLRPS-YYIAUSFCSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001661613906 1080499532 /nfs/dbraw/zinc/49/95/32/1080499532.db2.gz BFFVDKDLCZLRPS-YVSFHVDLSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481782892 1080501013 /nfs/dbraw/zinc/50/10/13/1080501013.db2.gz SZAAVAUUBUXIBD-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107033729 1080546761 /nfs/dbraw/zinc/54/67/61/1080546761.db2.gz YHTUVRLMHZMLRM-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001661950291 1080548786 /nfs/dbraw/zinc/54/87/86/1080548786.db2.gz LCNDHNHYKDRLLY-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001661977882 1080550945 /nfs/dbraw/zinc/55/09/45/1080550945.db2.gz PUKGSHGSCZKSEE-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001481933408 1080621828 /nfs/dbraw/zinc/62/18/28/1080621828.db2.gz IVFLSUZPFNSVPI-GOSISDBHSA-N 2 0 312.417 2.317 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001662675920 1080632329 /nfs/dbraw/zinc/63/23/29/1080632329.db2.gz UXQKTMPZUOKZED-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(NC(=O)Cc2c[nH]cn2)CCCC[C@H]1C ZINC001481961788 1080652602 /nfs/dbraw/zinc/65/26/02/1080652602.db2.gz OCLWPQTZDQCRDV-PBHICJAKSA-N 2 0 304.438 2.183 20 30 DEEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268539427 1080733958 /nfs/dbraw/zinc/73/39/58/1080733958.db2.gz SYGNTUBBZMPJQS-WLMCBFPDSA-N 2 0 305.466 2.089 20 30 DEEDRP C=C(C)C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001664521802 1080921640 /nfs/dbraw/zinc/92/16/40/1080921640.db2.gz NHYFBQOKOWJGRY-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001664667899 1080939732 /nfs/dbraw/zinc/93/97/32/1080939732.db2.gz SBTBZHOSRICQKT-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001664807007 1080963289 /nfs/dbraw/zinc/96/32/89/1080963289.db2.gz PKEKPOLHHFNCBO-FUHWJXTLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001664884760 1080976537 /nfs/dbraw/zinc/97/65/37/1080976537.db2.gz XTEKDUCQVYODOO-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001665951859 1081101639 /nfs/dbraw/zinc/10/16/39/1081101639.db2.gz NYTCSBSQBVIMPF-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001666547048 1081161441 /nfs/dbraw/zinc/16/14/41/1081161441.db2.gz NMFMHRCYICVMLU-SJORKVTESA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001667129229 1081214284 /nfs/dbraw/zinc/21/42/84/1081214284.db2.gz CXYVPINRYHLEDY-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001667215754 1081225776 /nfs/dbraw/zinc/22/57/76/1081225776.db2.gz AMYLYNLQVQKAQC-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001667353596 1081242276 /nfs/dbraw/zinc/24/22/76/1081242276.db2.gz VHJHNOKGAGHYKO-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001667584855 1081266323 /nfs/dbraw/zinc/26/63/23/1081266323.db2.gz IFOYWOCAODMSMT-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001269558113 1081290573 /nfs/dbraw/zinc/29/05/73/1081290573.db2.gz WOUPMFNMWKWWHD-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001269735699 1081349916 /nfs/dbraw/zinc/34/99/16/1081349916.db2.gz DBIIGPKWCMPZRD-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001269870972 1081386681 /nfs/dbraw/zinc/38/66/81/1081386681.db2.gz ICVVNOUWQIXOBN-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001270011130 1081426888 /nfs/dbraw/zinc/42/68/88/1081426888.db2.gz RCQQIDBMOYWSKU-QBPKDAKJSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cncn1C)C2 ZINC001111341435 1081453924 /nfs/dbraw/zinc/45/39/24/1081453924.db2.gz YBWSZVNLMHPFTK-OIISXLGYSA-N 2 0 316.449 2.040 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482283068 1081509826 /nfs/dbraw/zinc/50/98/26/1081509826.db2.gz CDOPKQOIIAWEAU-KGLIPLIRSA-N 2 0 301.862 2.048 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001671748315 1081536594 /nfs/dbraw/zinc/53/65/94/1081536594.db2.gz SIUKKSFHRZDJOO-GOSISDBHSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001671775824 1081538331 /nfs/dbraw/zinc/53/83/31/1081538331.db2.gz XPZUYTYQWCYAAG-BQFCYCMXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001270798839 1081715259 /nfs/dbraw/zinc/71/52/59/1081715259.db2.gz VTDYVCPAHNJVEJ-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001673168720 1081744028 /nfs/dbraw/zinc/74/40/28/1081744028.db2.gz SUTXICCGAODIFH-INIZCTEOSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001673238415 1081748810 /nfs/dbraw/zinc/74/88/10/1081748810.db2.gz RFPYAVCIPIQJEX-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001482351642 1081752032 /nfs/dbraw/zinc/75/20/32/1081752032.db2.gz DYXMAZDNSRFIBW-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]cn2)C[C@@H]1C ZINC001482421382 1081809791 /nfs/dbraw/zinc/80/97/91/1081809791.db2.gz GDPVKFQPIQTGEW-GOEBONIOSA-N 2 0 304.438 2.135 20 30 DEEDRP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001270991240 1081867905 /nfs/dbraw/zinc/86/79/05/1081867905.db2.gz MFHNALWJRFGTRN-GOSISDBHSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001674457809 1081875144 /nfs/dbraw/zinc/87/51/44/1081875144.db2.gz NRHVNKVLMAAJQK-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674685913 1081905157 /nfs/dbraw/zinc/90/51/57/1081905157.db2.gz BJQNNUOYFDGNJX-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001482462754 1081925162 /nfs/dbraw/zinc/92/51/62/1081925162.db2.gz OTLKJAPNSJKIJM-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266573234 1082167476 /nfs/dbraw/zinc/16/74/76/1082167476.db2.gz MXFPKLJYSHKBIG-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001271839040 1082169398 /nfs/dbraw/zinc/16/93/98/1082169398.db2.gz PVLPNZRXKBOLAC-SJLPKXTDSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001266859058 1082403734 /nfs/dbraw/zinc/40/37/34/1082403734.db2.gz WRPYHCAISHTYDT-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266860216 1082404637 /nfs/dbraw/zinc/40/46/37/1082404637.db2.gz ZUJLGGWDVBSJPM-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483198783 1082803780 /nfs/dbraw/zinc/80/37/80/1082803780.db2.gz ZUQFMPLXSPYCCG-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277152745 1083813396 /nfs/dbraw/zinc/81/33/96/1083813396.db2.gz UTVNYMIQXHLYLY-VQIMIIECSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277393886 1083942972 /nfs/dbraw/zinc/94/29/72/1083942972.db2.gz RYKFAITZQUMEET-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001491059862 1084038035 /nfs/dbraw/zinc/03/80/35/1084038035.db2.gz CAOLPDPNJYHQKS-XUWVNRHRSA-N 2 0 304.438 2.426 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001670923085 1084147497 /nfs/dbraw/zinc/14/74/97/1084147497.db2.gz IJXFZGZZHOTCQV-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001491222926 1084166591 /nfs/dbraw/zinc/16/65/91/1084166591.db2.gz SZWDLZVRUJBGGV-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001491361286 1084257893 /nfs/dbraw/zinc/25/78/93/1084257893.db2.gz OEUQTLLWJRQXIH-UHFFFAOYSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCN(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C(=O)OCC ZINC001235425467 1084425606 /nfs/dbraw/zinc/42/56/06/1084425606.db2.gz LHQGLVJNHZQJPV-IAGOWNOFSA-N 2 0 323.481 2.343 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168666405 1084523648 /nfs/dbraw/zinc/52/36/48/1084523648.db2.gz FFONUSBSECSZJF-AWEZNQCLSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485930187 1085002634 /nfs/dbraw/zinc/00/26/34/1085002634.db2.gz NLLUYOJTGSQLEN-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000964027478 1085152872 /nfs/dbraw/zinc/15/28/72/1085152872.db2.gz WCKSMSIZSUMHGY-UHFFFAOYSA-N 2 0 317.477 2.065 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000964094291 1085162581 /nfs/dbraw/zinc/16/25/81/1085162581.db2.gz FEQFHSUQINGNBR-UHFFFAOYSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960286021 1085182617 /nfs/dbraw/zinc/18/26/17/1085182617.db2.gz DMTZZOREZRONHA-XDNAFOTISA-N 2 0 317.477 2.016 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000964644287 1085333818 /nfs/dbraw/zinc/33/38/18/1085333818.db2.gz NIMICFJZRYBLBG-FIXVGMIGSA-N 2 0 319.493 2.311 20 30 DEEDRP 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 1085427142 /nfs/dbraw/zinc/42/71/42/1085427142.db2.gz QYFIEEQFCRURRS-XDNAFOTISA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961443900 1085735336 /nfs/dbraw/zinc/73/53/36/1085735336.db2.gz XZZXYNABBAHYJB-ROUUACIJSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001273105584 1086201364 /nfs/dbraw/zinc/20/13/64/1086201364.db2.gz DEZOPFYEEMTEMF-HOTGVXAUSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000963158227 1086318781 /nfs/dbraw/zinc/31/87/81/1086318781.db2.gz VDVNKZZDZNOERX-YMAMQOFZSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH+](CC)CC1 ZINC001273143323 1086670230 /nfs/dbraw/zinc/67/02/30/1086670230.db2.gz FEALJMZKHRMYKT-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017510 1088564546 /nfs/dbraw/zinc/56/45/46/1088564546.db2.gz MCMYFFNUJASQEU-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082853474 1090089835 /nfs/dbraw/zinc/08/98/35/1090089835.db2.gz BFEXHSZHYAVIGX-SUMDDJOVSA-N 2 0 315.461 2.086 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001273427376 1091351314 /nfs/dbraw/zinc/35/13/14/1091351314.db2.gz INENNOSNVFJELH-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[N@H+]1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001276040995 1091466407 /nfs/dbraw/zinc/46/64/07/1091466407.db2.gz URDNHIBHRWVSSJ-LJQANCHMSA-N 2 0 323.525 2.461 20 30 DEEDRP C=CCC[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001276091993 1091540185 /nfs/dbraw/zinc/54/01/85/1091540185.db2.gz AYPGOYZHSAMNIW-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001275491829 1091802127 /nfs/dbraw/zinc/80/21/27/1091802127.db2.gz JYBSBMYLSUOKIE-HUUCEWRRSA-N 2 0 303.450 2.073 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001275790869 1092126743 /nfs/dbraw/zinc/12/67/43/1092126743.db2.gz HWEGVNXABJXPGS-CVEARBPZSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001488916715 1092815085 /nfs/dbraw/zinc/81/50/85/1092815085.db2.gz CFIGAPVQKNGBQU-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001489312097 1093036291 /nfs/dbraw/zinc/03/62/91/1093036291.db2.gz SXBPORFUHHRKJL-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCCC[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001253250528 1093701987 /nfs/dbraw/zinc/70/19/87/1093701987.db2.gz BHTQTKVJASSQFC-GOSISDBHSA-N 2 0 311.514 2.101 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236381637 1138357263 /nfs/dbraw/zinc/35/72/63/1138357263.db2.gz LIVLLMCAZLIGPI-UHFFFAOYSA-N 2 0 305.441 2.403 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499683 1138368738 /nfs/dbraw/zinc/36/87/38/1138368738.db2.gz PAZPUCRYDQATKJ-UHFFFAOYSA-N 2 0 309.404 2.294 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001278254038 1138859584 /nfs/dbraw/zinc/85/95/84/1138859584.db2.gz YZAMYLZRUJJXIJ-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP N#Cc1cc(-c2nccc(C3CC[NH2+]CC3)n2)cc(C2C[NH2+]C2)c1 ZINC001240338128 1139340622 /nfs/dbraw/zinc/34/06/22/1139340622.db2.gz LKTIMLCVAXRIFK-UHFFFAOYSA-N 2 0 319.412 2.169 20 30 DEEDRP C[NH2+]Cc1ccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001242992204 1140060447 /nfs/dbraw/zinc/06/04/47/1140060447.db2.gz DUKKZWXQZYLJSI-UHFFFAOYSA-N 2 0 306.413 2.354 20 30 DEEDRP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001318684950 1140385632 /nfs/dbraw/zinc/38/56/32/1140385632.db2.gz CCLJPSCKAPHGRX-SJLPKXTDSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001320167766 1140832465 /nfs/dbraw/zinc/83/24/65/1140832465.db2.gz WHTUMWKSPKSIJN-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246023349 1140848418 /nfs/dbraw/zinc/84/84/18/1140848418.db2.gz PLLVKXQGHIBWLA-SJORKVTESA-N 2 0 300.487 2.274 20 30 DEEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246642986 1141020074 /nfs/dbraw/zinc/02/00/74/1141020074.db2.gz NTPUCQCJXPZIJL-MHJFOBGBSA-N 2 0 324.472 2.028 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322347741 1141537487 /nfs/dbraw/zinc/53/74/87/1141537487.db2.gz VJISFAPZBRPXIR-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001323721062 1141880043 /nfs/dbraw/zinc/88/00/43/1141880043.db2.gz DDGQFRMGVPLVCN-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CC1(C)C ZINC001278646071 1142650786 /nfs/dbraw/zinc/65/07/86/1142650786.db2.gz XUPZETORLOTRTD-CABCVRRESA-N 2 0 313.461 2.069 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252133313 1142651202 /nfs/dbraw/zinc/65/12/02/1142651202.db2.gz IFAWUJCSSMXNLS-SFHVURJKSA-N 2 0 313.530 2.325 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001278690093 1142835549 /nfs/dbraw/zinc/83/55/49/1142835549.db2.gz NNLJNLYFKMFBOG-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001340775102 1143438492 /nfs/dbraw/zinc/43/84/92/1143438492.db2.gz ZJDDKJOLXZAUHK-GOSISDBHSA-N 2 0 315.461 2.451 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)CCC[NH2+]1 ZINC001342761834 1143835029 /nfs/dbraw/zinc/83/50/29/1143835029.db2.gz OSHQYPSHHCLIEJ-CRAIPNDOSA-N 2 0 305.466 2.052 20 30 DEEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001256202452 1143835297 /nfs/dbraw/zinc/83/52/97/1143835297.db2.gz DZDHECAEFROFLX-GOSISDBHSA-N 2 0 321.465 2.191 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001280814340 1143869470 /nfs/dbraw/zinc/86/94/70/1143869470.db2.gz MXHKEUPFMMJPRF-BRWVUGGUSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCOCc1nn(C2CC[NH+](CC(C)C)CC2)c2c1C[NH2+]C2 ZINC001258012021 1143965555 /nfs/dbraw/zinc/96/55/55/1143965555.db2.gz OYFQKFLGOYSQDE-UHFFFAOYSA-N 2 0 318.465 2.482 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001264127450 1144477106 /nfs/dbraw/zinc/47/71/06/1144477106.db2.gz FTURWJGQFNCRGN-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001264744092 1144604395 /nfs/dbraw/zinc/60/43/95/1144604395.db2.gz IOUXRWNGTXHSQY-SJORKVTESA-N 2 0 316.449 2.170 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265399173 1144702396 /nfs/dbraw/zinc/70/23/96/1144702396.db2.gz QHVBBTXABODRMQ-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001265526395 1144709112 /nfs/dbraw/zinc/70/91/12/1144709112.db2.gz ZOPTVIPJJLPEPN-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001265526393 1144709245 /nfs/dbraw/zinc/70/92/45/1144709245.db2.gz ZOPTVIPJJLPEPN-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001265554026 1144711719 /nfs/dbraw/zinc/71/17/19/1144711719.db2.gz KOJBJOCGNLAWTR-JZXOWHBKSA-N 2 0 317.477 2.044 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266112854 1144806575 /nfs/dbraw/zinc/80/65/75/1144806575.db2.gz BMIJIRNBPJYAOD-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266112904 1144806739 /nfs/dbraw/zinc/80/67/39/1144806739.db2.gz CKSAZDYPKGBDJL-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001279236782 1144819645 /nfs/dbraw/zinc/81/96/45/1144819645.db2.gz MJFZRVWMMVYBNO-BJWYYQGGSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279387906 1144821557 /nfs/dbraw/zinc/82/15/57/1144821557.db2.gz FBVNQPKRDRDYSG-FJIDUMEYSA-N 2 0 319.493 2.216 20 30 DEEDRP 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 1144821782 /nfs/dbraw/zinc/82/17/82/1144821782.db2.gz RZXQPOSTUHCFCW-XLAORIBOSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001280457896 1144840791 /nfs/dbraw/zinc/84/07/91/1144840791.db2.gz CTAXECAQIKQOTI-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001280777200 1144854713 /nfs/dbraw/zinc/85/47/13/1144854713.db2.gz OCAJPFBOYWZESM-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001281035503 1144869511 /nfs/dbraw/zinc/86/95/11/1144869511.db2.gz CULXTLAYONUULQ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001281742941 1144912107 /nfs/dbraw/zinc/91/21/07/1144912107.db2.gz IXFMSEPRXIZJPZ-FUHWJXTLSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001283331747 1145365446 /nfs/dbraw/zinc/36/54/46/1145365446.db2.gz HCFUAFHYUBNDAT-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001284789497 1145915901 /nfs/dbraw/zinc/91/59/01/1145915901.db2.gz BZRKHTGEULLURO-ODIFPOPNSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001492031842 1147069378 /nfs/dbraw/zinc/06/93/78/1147069378.db2.gz WPYCNGGCWFMNAV-CYBMUJFWSA-N 2 0 309.479 2.484 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001316734478 1147358388 /nfs/dbraw/zinc/35/83/88/1147358388.db2.gz LUGMJRDNVBXOFL-IXDOHACOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001316937909 1147574242 /nfs/dbraw/zinc/57/42/42/1147574242.db2.gz ROGDMJQSDPJVCY-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001317005829 1147578338 /nfs/dbraw/zinc/57/83/38/1147578338.db2.gz LLJTVOXJYIZXTA-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317042776 1147581721 /nfs/dbraw/zinc/58/17/21/1147581721.db2.gz GQVHRVLKVOHGIC-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317509297 1147717750 /nfs/dbraw/zinc/71/77/50/1147717750.db2.gz HTUVVFBDEVIOQJ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001317708755 1147746089 /nfs/dbraw/zinc/74/60/89/1147746089.db2.gz NFJWKKMBKRVSSM-GOSISDBHSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001324832814 1147851376 /nfs/dbraw/zinc/85/13/76/1147851376.db2.gz JCXYCDVREFSUNR-SFHVURJKSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001326554760 1148141494 /nfs/dbraw/zinc/14/14/94/1148141494.db2.gz FYEHFIQPHNCRRG-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP CC[C@]1(C)CCN(C(NC[C@H]2C[N@H+](CC(C)C)CCO2)=[NH+]C)C1 ZINC000261660413 529396260 /nfs/dbraw/zinc/39/62/60/529396260.db2.gz AXTBDMYTVSEZLV-FUHWJXTLSA-N 2 0 324.513 2.041 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cn2)CC1 ZINC000192645157 529777048 /nfs/dbraw/zinc/77/70/48/529777048.db2.gz GMSQCJDMZAGZMH-DOTOQJQBSA-N 2 0 313.449 2.005 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595523861 358473279 /nfs/dbraw/zinc/47/32/79/358473279.db2.gz VHULIJSGMAWWEN-UHFFFAOYSA-N 2 0 314.477 2.106 20 30 DEEDRP CCNC(NCc1ccccc1OCC[NH+](CC)CC)=[NH+]CC ZINC000066243330 354705461 /nfs/dbraw/zinc/70/54/61/354705461.db2.gz BNPFELDEIIURJU-UHFFFAOYSA-N 2 0 320.481 2.482 20 30 DEEDRP CC[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC000083031387 355462556 /nfs/dbraw/zinc/46/25/56/355462556.db2.gz ZBWXZAFJQRXBAE-GDBMZVCRSA-N 2 0 316.449 2.289 20 30 DEEDRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000315452364 356424055 /nfs/dbraw/zinc/42/40/55/356424055.db2.gz MTSGDKKEKWKXMJ-OAHLLOKOSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000591570732 357737124 /nfs/dbraw/zinc/73/71/24/357737124.db2.gz HPGIGOQEZNJLJU-RHSMWYFYSA-N 2 0 313.449 2.042 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000591579397 357737941 /nfs/dbraw/zinc/73/79/41/357737941.db2.gz XTWFRVWTQOLAAF-LJQANCHMSA-N 2 0 324.472 2.254 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc(C#N)cs3)c2)CC1 ZINC000601067705 359910260 /nfs/dbraw/zinc/91/02/60/359910260.db2.gz ATFYREMFKRIMOD-UHFFFAOYSA-N 2 0 313.430 2.379 20 30 DEEDRP N#C[C@H]1CC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442632721 238055514 /nfs/dbraw/zinc/05/55/14/238055514.db2.gz AGSULYLIUTZGKL-OALUTQOASA-N 2 0 312.461 2.086 20 30 DEEDRP C=CC[C@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000680484247 542012239 /nfs/dbraw/zinc/01/22/39/542012239.db2.gz IBUIAHGMELAFJW-GOSISDBHSA-N 2 0 317.477 2.245 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000267395196 532987778 /nfs/dbraw/zinc/98/77/78/532987778.db2.gz DWVKRHQOLALEJB-KBPBESRZSA-N 2 0 306.454 2.055 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000267395201 532987132 /nfs/dbraw/zinc/98/71/32/532987132.db2.gz DWVKRHQOLALEJB-UONOGXRCSA-N 2 0 306.454 2.055 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000191946773 145068379 /nfs/dbraw/zinc/06/83/79/145068379.db2.gz OERMXVXNAPGQDI-UHFFFAOYSA-N 2 0 317.408 2.242 20 30 DEEDRP CCC[NH+]1CCC(N(C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000111240656 401702576 /nfs/dbraw/zinc/70/25/76/401702576.db2.gz WVLKUCHFHVBAET-UHFFFAOYSA-N 2 0 320.481 2.135 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000104181747 402199499 /nfs/dbraw/zinc/19/94/99/402199499.db2.gz GVLPUNSTEHPSOR-SFHVURJKSA-N 2 0 314.477 2.352 20 30 DEEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000104327297 402202965 /nfs/dbraw/zinc/20/29/65/402202965.db2.gz FCMAVWNADSTLGC-UHFFFAOYSA-N 2 0 316.449 2.056 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000176500845 402315261 /nfs/dbraw/zinc/31/52/61/402315261.db2.gz NCRHRWDKWCJOSM-KRWDZBQOSA-N 2 0 322.497 2.153 20 30 DEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000185896104 402387109 /nfs/dbraw/zinc/38/71/09/402387109.db2.gz NEIVTSZYCVXKRZ-LZQZEXGQSA-N 2 0 313.445 2.425 20 30 DEEDRP Cc1cc(C#N)ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000186314445 402420312 /nfs/dbraw/zinc/42/03/12/402420312.db2.gz AXBZFCJQRJJIIU-UHFFFAOYSA-N 2 0 314.477 2.325 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C(C)C ZINC000180989439 402631380 /nfs/dbraw/zinc/63/13/80/402631380.db2.gz LGHPEGYVZSPVIQ-AEFFLSMTSA-N 2 0 307.482 2.333 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000274673009 403077227 /nfs/dbraw/zinc/07/72/27/403077227.db2.gz YJRSMMYMUZGOBU-HUUCEWRRSA-N 2 0 318.440 2.374 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2[nH]ccc2c1 ZINC000281818712 403095061 /nfs/dbraw/zinc/09/50/61/403095061.db2.gz QWQGIIDVVWSLRU-MRXNPFEDSA-N 2 0 313.449 2.099 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2[nH]c(C)cc2c1 ZINC000285153454 403278723 /nfs/dbraw/zinc/27/87/23/403278723.db2.gz RYRMSSTVCJRYME-INIZCTEOSA-N 2 0 313.449 2.365 20 30 DEEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000330607044 403287148 /nfs/dbraw/zinc/28/71/48/403287148.db2.gz LGUMETLTPQNDNC-AWEZNQCLSA-N 2 0 319.424 2.222 20 30 DEEDRP C=CCCCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000364218458 404327835 /nfs/dbraw/zinc/32/78/35/404327835.db2.gz BPLAGORHKTWDSZ-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP CC1(C)CC(NC(=O)NCC[N@H+]2CC=CCC2)CC(C)(C)[NH2+]1 ZINC000329932280 404498868 /nfs/dbraw/zinc/49/88/68/404498868.db2.gz PJAYAMVXKAXMBN-UHFFFAOYSA-N 2 0 308.470 2.061 20 30 DEEDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353276872 404789365 /nfs/dbraw/zinc/78/93/65/404789365.db2.gz UEBVFIMNAIDWDF-IBGZPJMESA-N 2 0 312.461 2.161 20 30 DEEDRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424194184 405036670 /nfs/dbraw/zinc/03/66/70/405036670.db2.gz RWSGGVVNQFHTSR-QGZVFWFLSA-N 2 0 316.449 2.118 20 30 DEEDRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424126951 405015505 /nfs/dbraw/zinc/01/55/05/405015505.db2.gz CIVQDZWMSRDSFM-HUUCEWRRSA-N 2 0 322.478 2.268 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000417072803 405027078 /nfs/dbraw/zinc/02/70/78/405027078.db2.gz XHLUIINPPKBLNH-YESZJQIVSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361226918 404982427 /nfs/dbraw/zinc/98/24/27/404982427.db2.gz DFQCPNHLSDAQFU-HKUYNNGSSA-N 2 0 323.525 2.363 20 30 DEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000354098769 405044234 /nfs/dbraw/zinc/04/42/34/405044234.db2.gz ZSDUUTGBCPHZGV-GOSISDBHSA-N 2 0 301.434 2.491 20 30 DEEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000421362570 405474081 /nfs/dbraw/zinc/47/40/81/405474081.db2.gz JNFZQYFBHQYUFR-MRXNPFEDSA-N 2 0 305.397 2.024 20 30 DEEDRP C=CC[C@H](CO)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423018630 405694815 /nfs/dbraw/zinc/69/48/15/405694815.db2.gz RJPQACGURVOKOV-ZVZYQTTQSA-N 2 0 302.418 2.017 20 30 DEEDRP C=CCCOCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012964 405695070 /nfs/dbraw/zinc/69/50/70/405695070.db2.gz LRJVHEHANJHQKT-AEFFLSMTSA-N 2 0 302.418 2.425 20 30 DEEDRP C=CCN(Cc1cccs1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433124310 405874112 /nfs/dbraw/zinc/87/41/12/405874112.db2.gz BDTKWECMRGAEBB-UHFFFAOYSA-N 2 0 321.490 2.466 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000570792786 406438271 /nfs/dbraw/zinc/43/82/71/406438271.db2.gz SVDHSUMYIPXMMZ-GOSISDBHSA-N 2 0 312.461 2.254 20 30 DEEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCOCC1 ZINC000262540311 225277446 /nfs/dbraw/zinc/27/74/46/225277446.db2.gz RLCLMIASPDKWIJ-UHFFFAOYSA-N 2 0 316.449 2.013 20 30 DEEDRP C=CC[C@@]1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[NH2+]1 ZINC000662777621 425734320 /nfs/dbraw/zinc/73/43/20/425734320.db2.gz VRAFZTAIDGSLLZ-KRWDZBQOSA-N 2 0 303.381 2.108 20 30 DEEDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353430947 276761616 /nfs/dbraw/zinc/76/16/16/276761616.db2.gz XKJJGXPCSFLRPJ-LJQANCHMSA-N 2 0 312.461 2.161 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000171607339 277775280 /nfs/dbraw/zinc/77/52/80/277775280.db2.gz KRCVCQUEFHDVBR-UHFFFAOYSA-N 2 0 322.497 2.010 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000106333578 277775481 /nfs/dbraw/zinc/77/54/81/277775481.db2.gz HYGCSIGCPRYGMU-INIZCTEOSA-N 2 0 322.497 2.058 20 30 DEEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC3=[NH+]CCN3C)cc2)C1 ZINC000262662410 533692917 /nfs/dbraw/zinc/69/29/17/533692917.db2.gz NHSBKZPFRUJBGP-OAHLLOKOSA-N 2 0 300.450 2.310 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC(CC)([NH+]3CCC3)CC2)CCC[NH2+]1 ZINC001349906362 1151306469 /nfs/dbraw/zinc/30/64/69/1151306469.db2.gz DDVDSHCKRAEHSU-SFHVURJKSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357363123 1152293344 /nfs/dbraw/zinc/29/33/44/1152293344.db2.gz WKVDNPTVIQMNKE-MSOLQXFVSA-N 2 0 315.461 2.451 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001329862278 1149005389 /nfs/dbraw/zinc/00/53/89/1149005389.db2.gz ZIZPEPDDGZQGPD-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001329935530 1149018631 /nfs/dbraw/zinc/01/86/31/1149018631.db2.gz DLSXYOUOGAZHEU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330260240 1149082261 /nfs/dbraw/zinc/08/22/61/1149082261.db2.gz BFUAGPXYESTJAO-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC2=[NH+]CCN2C)C1 ZINC000262683703 534174032 /nfs/dbraw/zinc/17/40/32/534174032.db2.gz XMBXIEZFUGTAEG-HNNXBMFYSA-N 2 0 300.450 2.310 20 30 DEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N1CC[C@@H](COC)C1 ZINC000262501075 526350370 /nfs/dbraw/zinc/35/03/70/526350370.db2.gz YJVSMKLUTDVCSC-MRXNPFEDSA-N 2 0 324.513 2.185 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189818869 526583448 /nfs/dbraw/zinc/58/34/48/526583448.db2.gz BKAXVOOWYUQXJZ-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000341877571 527185982 /nfs/dbraw/zinc/18/59/82/527185982.db2.gz LXONUDPDILPUQV-SFHVURJKSA-N 2 0 302.462 2.468 20 30 DEEDRP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC000262231524 527195059 /nfs/dbraw/zinc/19/50/59/527195059.db2.gz ABOFHKGELCKRBL-HZPDHXFCSA-N 2 0 318.852 2.403 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264064986 529101551 /nfs/dbraw/zinc/10/15/51/529101551.db2.gz DVTWFAJZTXSHRE-INIZCTEOSA-N 2 0 300.450 2.107 20 30 DEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001327528610 1148578381 /nfs/dbraw/zinc/57/83/81/1148578381.db2.gz BOVKDVINOIJAPU-HKUYNNGSSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027647286 634377248 /nfs/dbraw/zinc/37/72/48/634377248.db2.gz MUPAAYNIGMNPTN-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025290074 625326744 /nfs/dbraw/zinc/32/67/44/625326744.db2.gz XPXXVBUZPYDOCT-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632928 625364409 /nfs/dbraw/zinc/36/44/09/625364409.db2.gz RXEXBWROXDAGKX-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704400 625482909 /nfs/dbraw/zinc/48/29/09/625482909.db2.gz QTNVHDJAKMKTJK-HKUYNNGSSA-N 2 0 315.461 2.182 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648417 622863589 /nfs/dbraw/zinc/86/35/89/622863589.db2.gz JNEGXPMHUMRZTF-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969832319 622942790 /nfs/dbraw/zinc/94/27/90/622942790.db2.gz GKIPBJXHQLXQDB-WMLDXEAASA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832838 622942931 /nfs/dbraw/zinc/94/29/31/622942931.db2.gz JWDUBRBUHLMMRX-IAGOWNOFSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021603696 623816561 /nfs/dbraw/zinc/81/65/61/623816561.db2.gz QXIGDQQWPQGINW-RDJZCZTQSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622366 623847391 /nfs/dbraw/zinc/84/73/91/623847391.db2.gz INVRGKVZQLBSKF-AEFFLSMTSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506454 624926886 /nfs/dbraw/zinc/92/68/86/624926886.db2.gz QFUDRPGRWNPUKV-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024751016 625035523 /nfs/dbraw/zinc/03/55/23/625035523.db2.gz AYVFVSNVHCRSBC-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372793 625242316 /nfs/dbraw/zinc/24/23/16/625242316.db2.gz XZQAUFMTXGJOHC-WMZOPIPTSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692536 634446962 /nfs/dbraw/zinc/44/69/62/634446962.db2.gz LLHYUFVTKUEAGF-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501690 625823278 /nfs/dbraw/zinc/82/32/78/625823278.db2.gz HSIQOMBLFIDERX-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001000237671 634810557 /nfs/dbraw/zinc/81/05/57/634810557.db2.gz QJMOAILZRWGZJH-INIZCTEOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995791505 633122413 /nfs/dbraw/zinc/12/24/13/633122413.db2.gz HXKQNYHWPRFBRR-HOTGVXAUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC000996168685 633206615 /nfs/dbraw/zinc/20/66/15/633206615.db2.gz KQPRXIFCCCUVKC-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000925845843 635929346 /nfs/dbraw/zinc/92/93/46/635929346.db2.gz RMFWVZGCKLLYAX-MRXNPFEDSA-N 2 0 300.450 2.284 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996479073 633265350 /nfs/dbraw/zinc/26/53/50/633265350.db2.gz VMVWATQYMGOXTK-DOTOQJQBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974779753 633301280 /nfs/dbraw/zinc/30/12/80/633301280.db2.gz YOQWZUNKHOUIFU-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975114854 633429427 /nfs/dbraw/zinc/42/94/27/633429427.db2.gz XHWVNTSJXWYBAR-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009049186 633496992 /nfs/dbraw/zinc/49/69/92/633496992.db2.gz HHRUVRCULJGBPE-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000997165520 633661861 /nfs/dbraw/zinc/66/18/61/633661861.db2.gz BSRJJRXZGMUBAL-IBGZPJMESA-N 2 0 315.461 2.230 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997166228 633663000 /nfs/dbraw/zinc/66/30/00/633663000.db2.gz JZHMLALPLVEYPB-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027411321 633750593 /nfs/dbraw/zinc/75/05/93/633750593.db2.gz OZAFDFLQLLEQLE-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001009633072 633766124 /nfs/dbraw/zinc/76/61/24/633766124.db2.gz GGJUAMLBMDBBPG-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027436756 633783850 /nfs/dbraw/zinc/78/38/50/633783850.db2.gz FIIRJNIWDIJUGM-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027442131 633796007 /nfs/dbraw/zinc/79/60/07/633796007.db2.gz BCWWTRZOXWJJKU-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997871830 634015950 /nfs/dbraw/zinc/01/59/50/634015950.db2.gz PLICYHLYWHHSFL-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998018604 634115122 /nfs/dbraw/zinc/11/51/22/634115122.db2.gz VUJAZCLTFMSLDC-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998103638 634143017 /nfs/dbraw/zinc/14/30/17/634143017.db2.gz BPYXTSINGVOVAG-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CSc1ccc(C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)cc1C#N ZINC000925771975 634957683 /nfs/dbraw/zinc/95/76/83/634957683.db2.gz FTYMOALMJWHBKD-LTBQPASTSA-N 2 0 317.458 2.122 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483705 635016516 /nfs/dbraw/zinc/01/65/16/635016516.db2.gz SCHPDJIVOHFASC-MRXNPFEDSA-N 2 0 301.434 2.081 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027963554 635096106 /nfs/dbraw/zinc/09/61/06/635096106.db2.gz AVBIBWTUABZSBV-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839472 635318489 /nfs/dbraw/zinc/31/84/89/635318489.db2.gz FETRNRXWHRRQTL-QZTJIDSGSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839468 635318533 /nfs/dbraw/zinc/31/85/33/635318533.db2.gz FETRNRXWHRRQTL-MSOLQXFVSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000981621556 635561747 /nfs/dbraw/zinc/56/17/47/635561747.db2.gz DWHZDUBFMGXVCC-UHFFFAOYSA-N 2 0 312.417 2.448 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001002938843 635850024 /nfs/dbraw/zinc/85/00/24/635850024.db2.gz MXBJJEMMASNNFW-UHFFFAOYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000982081023 635863751 /nfs/dbraw/zinc/86/37/51/635863751.db2.gz FVWJKADARZQAJG-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000925844699 635926888 /nfs/dbraw/zinc/92/68/88/635926888.db2.gz LQYXUTQEHBEDJP-HNNXBMFYSA-N 2 0 318.440 2.423 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001003309933 635936180 /nfs/dbraw/zinc/93/61/80/635936180.db2.gz ISHZNHJHBWUJKR-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC000922388923 636142196 /nfs/dbraw/zinc/14/21/96/636142196.db2.gz RWRTYMSWUJRIJD-VQHPVUNQSA-N 2 0 319.474 2.189 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552160 636337085 /nfs/dbraw/zinc/33/70/85/636337085.db2.gz IDHAYPIYLPGXMY-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004460046 636459221 /nfs/dbraw/zinc/45/92/21/636459221.db2.gz UHGOIEJMNSWNHM-GOSISDBHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594447 636463746 /nfs/dbraw/zinc/46/37/46/636463746.db2.gz GZOHPFMJBIBSPH-RDJZCZTQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595838 636497475 /nfs/dbraw/zinc/49/74/75/636497475.db2.gz JKOZHGLEZSPULO-WMZOPIPTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644541 636525206 /nfs/dbraw/zinc/52/52/06/636525206.db2.gz GSUOPYJXUOXNNA-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005772839 636836588 /nfs/dbraw/zinc/83/65/88/636836588.db2.gz LVPZSAHNCKZEDM-SFHVURJKSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919363 636853487 /nfs/dbraw/zinc/85/34/87/636853487.db2.gz UOOHWMZEERBNAF-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001005815969 636856029 /nfs/dbraw/zinc/85/60/29/636856029.db2.gz YMXLSZWZFGRBBU-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948716718 636885044 /nfs/dbraw/zinc/88/50/44/636885044.db2.gz DPXJYCKBTPGLKJ-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001005981581 637027541 /nfs/dbraw/zinc/02/75/41/637027541.db2.gz VVIONSWSURQHNX-HNNXBMFYSA-N 2 0 316.449 2.329 20 30 DEEDRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000923413221 637166536 /nfs/dbraw/zinc/16/65/36/637166536.db2.gz FAQPFEJXLBBZOY-AEFFLSMTSA-N 2 0 301.434 2.289 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006293292 637331865 /nfs/dbraw/zinc/33/18/65/637331865.db2.gz GAGNVACCQGWMOU-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(Nc2cc[nH+]c(C)c2Br)CC1 ZINC000895810751 638201653 /nfs/dbraw/zinc/20/16/53/638201653.db2.gz JUJNQILMTYYMSP-UHFFFAOYSA-N 2 0 308.223 2.084 20 30 DEEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000985805286 639645345 /nfs/dbraw/zinc/64/53/45/639645345.db2.gz WAIIHRUCEHEWSA-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000987288504 640157205 /nfs/dbraw/zinc/15/72/05/640157205.db2.gz BKIQPQHJMQSPHS-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000763974733 640592121 /nfs/dbraw/zinc/59/21/21/640592121.db2.gz YQNFRVCVNPQZRA-AWEZNQCLSA-N 2 0 307.463 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989078548 640718649 /nfs/dbraw/zinc/71/86/49/640718649.db2.gz VGACQHMMDBFTKO-HIFRSBDPSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989633542 641174157 /nfs/dbraw/zinc/17/41/57/641174157.db2.gz YDERIKLIWAVSPM-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989633545 641174167 /nfs/dbraw/zinc/17/41/67/641174167.db2.gz YDERIKLIWAVSPM-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989737402 641215548 /nfs/dbraw/zinc/21/55/48/641215548.db2.gz PBKBFMACXGLEKT-UHFFFAOYSA-N 2 0 301.434 2.082 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989738529 641216195 /nfs/dbraw/zinc/21/61/95/641216195.db2.gz DUYQKYBQGDVGFP-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000775572075 642061153 /nfs/dbraw/zinc/06/11/53/642061153.db2.gz OSKDVNAOYISPAB-SNRMKQJTSA-N 2 0 316.445 2.458 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000900139691 642269735 /nfs/dbraw/zinc/26/97/35/642269735.db2.gz BSKXFCCDIAMMLD-INIZCTEOSA-N 2 0 315.461 2.057 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000900784222 642469665 /nfs/dbraw/zinc/46/96/65/642469665.db2.gz RUWYIQWCOZPXGI-UHFFFAOYSA-N 2 0 319.449 2.382 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000900929415 642522151 /nfs/dbraw/zinc/52/21/51/642522151.db2.gz HJUYYSYKHSAIAS-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902871363 643165854 /nfs/dbraw/zinc/16/58/54/643165854.db2.gz MYAMRENZORUWFO-BZUAXINKSA-N 2 0 316.449 2.493 20 30 DEEDRP C[NH+](C)Cc1ccc(C(N)=NOCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000906503927 644275082 /nfs/dbraw/zinc/27/50/82/644275082.db2.gz YAWQDKYREYHGPK-KRWDZBQOSA-N 2 0 318.465 2.260 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156715 646877520 /nfs/dbraw/zinc/87/75/20/646877520.db2.gz XBIZWEJKSTVAGY-HKUYNNGSSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000913709613 647013479 /nfs/dbraw/zinc/01/34/79/647013479.db2.gz RNZNZKNCOZXKPT-SFHVURJKSA-N 2 0 315.461 2.193 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC000992734811 647202376 /nfs/dbraw/zinc/20/23/76/647202376.db2.gz BJJFCJKHTDZHCC-RYQLBKOJSA-N 2 0 324.428 2.351 20 30 DEEDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000818952904 647547934 /nfs/dbraw/zinc/54/79/34/647547934.db2.gz BQXXNQOQNBXNMK-LJQANCHMSA-N 2 0 309.413 2.443 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cnccc2N(C)C)[C@H]1C ZINC000994273206 647891734 /nfs/dbraw/zinc/89/17/34/647891734.db2.gz ZDROFMUPQBLGDV-GDBMZVCRSA-N 2 0 316.449 2.306 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC)[C@@H]2C)CC1 ZINC000994491910 647969991 /nfs/dbraw/zinc/96/99/91/647969991.db2.gz AMQALEATFFVNDS-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940738037 648935595 /nfs/dbraw/zinc/93/55/95/648935595.db2.gz VFTCBVLAHYKXER-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737356 648935699 /nfs/dbraw/zinc/93/56/99/648935699.db2.gz NXLDKYLNNDOCRG-HOTGVXAUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033866 648990365 /nfs/dbraw/zinc/99/03/65/648990365.db2.gz WWPWZGAJXAAOMT-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079030 649000323 /nfs/dbraw/zinc/00/03/23/649000323.db2.gz KWXDSFWQIXUWCD-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948381020 649114681 /nfs/dbraw/zinc/11/46/81/649114681.db2.gz CAGHIJZEMZYENA-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098935 649156888 /nfs/dbraw/zinc/15/68/88/649156888.db2.gz DHGQYFCXVOULQQ-UKRRQHHQSA-N 2 0 321.490 2.436 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518567 649232289 /nfs/dbraw/zinc/23/22/89/649232289.db2.gz TZNTWQCYBZWCPT-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581588 649253870 /nfs/dbraw/zinc/25/38/70/649253870.db2.gz JJBTXDIMMVSYGV-GOEBONIOSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000849026934 651587299 /nfs/dbraw/zinc/58/72/99/651587299.db2.gz NIILVPHYAAHXBB-MRXNPFEDSA-N 2 0 316.449 2.350 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCSCC1 ZINC000304757161 685259717 /nfs/dbraw/zinc/25/97/17/685259717.db2.gz OMFAVGAQHISCFC-INIZCTEOSA-N 2 0 318.490 2.015 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C)C1CCCCC1 ZINC000104168571 684058581 /nfs/dbraw/zinc/05/85/81/684058581.db2.gz PBGLETPRGSQFPM-KRWDZBQOSA-N 3 0 323.529 2.030 20 30 DEEDRP C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2OCC[NH+](C)C)C1 ZINC000104180683 684059324 /nfs/dbraw/zinc/05/93/24/684059324.db2.gz JMTVUWCCGCBFIX-OAHLLOKOSA-N 2 0 318.465 2.174 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145485 693861582 /nfs/dbraw/zinc/86/15/82/693861582.db2.gz QRLGNRWDMBLVFH-PKOBYXMFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219079 693887989 /nfs/dbraw/zinc/88/79/89/693887989.db2.gz GLROOMMICXTVMZ-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291709 693917194 /nfs/dbraw/zinc/91/71/94/693917194.db2.gz CXHWVTHZDIJBLX-KRWDZBQOSA-N 2 0 313.445 2.146 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000929281823 693929881 /nfs/dbraw/zinc/92/98/81/693929881.db2.gz DSKGVZGJAJNXMZ-UHFFFAOYSA-N 2 0 313.445 2.270 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NCC[NH+]2CCCCCC2)c1 ZINC000303881917 685237865 /nfs/dbraw/zinc/23/78/65/685237865.db2.gz HXRZBHONGALMAW-UHFFFAOYSA-N 2 0 320.437 2.306 20 30 DEEDRP CC[C@@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)[NH+]1CCCC1 ZINC000303886575 685237983 /nfs/dbraw/zinc/23/79/83/685237983.db2.gz KFTXFAVIJATYOQ-ZDUSSCGKSA-N 2 0 320.437 2.305 20 30 DEEDRP CCOCCCNC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303911603 685239647 /nfs/dbraw/zinc/23/96/47/685239647.db2.gz ZSZVXIYKSXUACJ-HOTGVXAUSA-N 2 0 312.502 2.075 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016652742 687674790 /nfs/dbraw/zinc/67/47/90/687674790.db2.gz WILUTYIDUQTKMD-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016987648 687750641 /nfs/dbraw/zinc/75/06/41/687750641.db2.gz YFESGQZNOQDYSQ-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017705365 687942877 /nfs/dbraw/zinc/94/28/77/687942877.db2.gz YVBYPWWFMLAKQU-IYBDPMFKSA-N 2 0 310.401 2.199 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001019633877 688384365 /nfs/dbraw/zinc/38/43/65/688384365.db2.gz AQPLWGBWXKPHEM-HKUYNNGSSA-N 2 0 315.461 2.230 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020238850 688489272 /nfs/dbraw/zinc/48/92/72/688489272.db2.gz FRBHCKUDNNPLSX-KKUMJFAQSA-N 2 0 313.873 2.239 20 30 DEEDRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000872228945 688958140 /nfs/dbraw/zinc/95/81/40/688958140.db2.gz MYPRYTRHWGOKEN-LXPRWKDFSA-N 2 0 301.434 2.444 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031767277 688993115 /nfs/dbraw/zinc/99/31/15/688993115.db2.gz UXLHXGCAEUUYBW-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031978919 689034110 /nfs/dbraw/zinc/03/41/10/689034110.db2.gz PJQJVBOITFUIQF-UHFFFAOYSA-N 2 0 315.461 2.028 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144476 689404100 /nfs/dbraw/zinc/40/41/00/689404100.db2.gz XWDQQTJJYYEHHB-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033273332 689447317 /nfs/dbraw/zinc/44/73/17/689447317.db2.gz UANXXPKIOLDEJL-QGZVFWFLSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504118 689523787 /nfs/dbraw/zinc/52/37/87/689523787.db2.gz CXUDEOXZVHUXOW-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825983 689627868 /nfs/dbraw/zinc/62/78/68/689627868.db2.gz LCIKDDMSHFBBPX-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855294 689639367 /nfs/dbraw/zinc/63/93/67/689639367.db2.gz JHMGWUHIDYUBFW-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033876677 689647162 /nfs/dbraw/zinc/64/71/62/689647162.db2.gz ACNBURLRABEGGK-QGZVFWFLSA-N 2 0 324.428 2.202 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941816 689668947 /nfs/dbraw/zinc/66/89/47/689668947.db2.gz SGIZDKXPTCFESC-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034211809 689764871 /nfs/dbraw/zinc/76/48/71/689764871.db2.gz OPVJFGCBMRJEDM-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437051 689850608 /nfs/dbraw/zinc/85/06/08/689850608.db2.gz CZQCMXRSUMIMEP-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000876722505 689915497 /nfs/dbraw/zinc/91/54/97/689915497.db2.gz WXZJFNXPDRJEKR-CABCVRRESA-N 2 0 315.889 2.329 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000876724337 689916215 /nfs/dbraw/zinc/91/62/15/689916215.db2.gz UKHKKRZKZPHNDJ-CQSZACIVSA-N 2 0 301.862 2.037 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000876763171 689929142 /nfs/dbraw/zinc/92/91/42/689929142.db2.gz IOMISWWRTXLYKX-UKRRQHHQSA-N 2 0 309.841 2.093 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001034698864 689929464 /nfs/dbraw/zinc/92/94/64/689929464.db2.gz YIJZJJHVEURJBK-KZNAEPCWSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000876762564 689929701 /nfs/dbraw/zinc/92/97/01/689929701.db2.gz CJTZWSOWWFLDIU-AWEZNQCLSA-N 2 0 301.862 2.229 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001034717359 689932723 /nfs/dbraw/zinc/93/27/23/689932723.db2.gz RMCHLYVVQHPEMQ-SHTZXODSSA-N 2 0 305.422 2.158 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034778344 689946013 /nfs/dbraw/zinc/94/60/13/689946013.db2.gz HYXJNIZWWJQVSU-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877158919 690034069 /nfs/dbraw/zinc/03/40/69/690034069.db2.gz ORDCUGWYNJRQJK-CQSZACIVSA-N 2 0 310.829 2.053 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223584 690064554 /nfs/dbraw/zinc/06/45/54/690064554.db2.gz RYABXSDWJLNLOK-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035247271 690072619 /nfs/dbraw/zinc/07/26/19/690072619.db2.gz VNUCAHGOPYHMOX-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001036136241 690271989 /nfs/dbraw/zinc/27/19/89/690271989.db2.gz HVTKVGOHYIYHJM-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001036153225 690276851 /nfs/dbraw/zinc/27/68/51/690276851.db2.gz WEWDKJSLOMXCCK-GDBMZVCRSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036716532 690443589 /nfs/dbraw/zinc/44/35/89/690443589.db2.gz HLEIMENLWLUHAZ-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736274 690452229 /nfs/dbraw/zinc/45/22/29/690452229.db2.gz XNJMRPISLXHTQG-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759881 690462775 /nfs/dbraw/zinc/46/27/75/690462775.db2.gz RWYNTHGSHVLCTQ-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1CC ZINC001037869778 690628129 /nfs/dbraw/zinc/62/81/29/690628129.db2.gz POVUXSQZUQQLNZ-CRAIPNDOSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1CC ZINC001037876715 690630370 /nfs/dbraw/zinc/63/03/70/690630370.db2.gz QHVOUBKXADIUPM-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001037904785 690637359 /nfs/dbraw/zinc/63/73/59/690637359.db2.gz LOMGMTFZNNENFM-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1CC ZINC001037908430 690638134 /nfs/dbraw/zinc/63/81/34/690638134.db2.gz ZAURMUDAQPTQRK-GDBMZVCRSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001037929149 690642787 /nfs/dbraw/zinc/64/27/87/690642787.db2.gz GJKIRTPXYDZGQJ-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140456 691031597 /nfs/dbraw/zinc/03/15/97/691031597.db2.gz VGTYGOBBBRZVAZ-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173208 691039315 /nfs/dbraw/zinc/03/93/15/691039315.db2.gz QFAFLNGYAJLQOL-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001039437574 691105545 /nfs/dbraw/zinc/10/55/45/691105545.db2.gz OTDHBDJIRABHFL-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040261325 691222179 /nfs/dbraw/zinc/22/21/79/691222179.db2.gz MLUBHCCNODACKX-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040367769 691236738 /nfs/dbraw/zinc/23/67/38/691236738.db2.gz BCTLSSCPUFNNOZ-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001040727551 691283062 /nfs/dbraw/zinc/28/30/62/691283062.db2.gz SQUVRYNAIPSKJD-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040848975 691292969 /nfs/dbraw/zinc/29/29/69/691292969.db2.gz MZPGJRQGVUNUQM-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536136 691389442 /nfs/dbraw/zinc/38/94/42/691389442.db2.gz MOMOKHFZKWKEME-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644464 691405028 /nfs/dbraw/zinc/40/50/28/691405028.db2.gz CVDLGYCPAVOTEI-IEBWSBKVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCO1 ZINC000883186101 691452335 /nfs/dbraw/zinc/45/23/35/691452335.db2.gz LJMNOKUKGGOHLA-OALUTQOASA-N 2 0 323.525 2.363 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001044800650 691889000 /nfs/dbraw/zinc/88/90/00/691889000.db2.gz LSACZXMFQYVMJH-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885956311 691971109 /nfs/dbraw/zinc/97/11/09/691971109.db2.gz NCHGOYSXKBQDKM-QGZVFWFLSA-N 2 0 307.482 2.485 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045488833 691988383 /nfs/dbraw/zinc/98/83/83/691988383.db2.gz JFNPGDHWMYJEFO-UHFFFAOYSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001045536189 691994605 /nfs/dbraw/zinc/99/46/05/691994605.db2.gz KMAJMNMRPLTLAI-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921231 692051410 /nfs/dbraw/zinc/05/14/10/692051410.db2.gz IEXQIARUIYAKFY-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967512 692064511 /nfs/dbraw/zinc/06/45/11/692064511.db2.gz WNXIEECKCFQVDA-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436188 692186437 /nfs/dbraw/zinc/18/64/37/692186437.db2.gz NELKSEPXMBPVDP-GOSISDBHSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046485661 692201993 /nfs/dbraw/zinc/20/19/93/692201993.db2.gz CKITUOUYBDQTSB-GOSISDBHSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049523438 692910970 /nfs/dbraw/zinc/91/09/70/692910970.db2.gz XWGNMEZTGBXWRW-DLBZAZTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049549764 692918671 /nfs/dbraw/zinc/91/86/71/692918671.db2.gz ISXYBHLZRXFOFG-BRWVUGGUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568762 692924117 /nfs/dbraw/zinc/92/41/17/692924117.db2.gz WERSTRCQAFESDE-KSZLIROESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049592765 692934889 /nfs/dbraw/zinc/93/48/89/692934889.db2.gz JRUMNLUIYBBCOG-IRXDYDNUSA-N 2 0 310.401 2.199 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049642286 692950163 /nfs/dbraw/zinc/95/01/63/692950163.db2.gz UYKWBFRVRSPXIE-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049713550 692972957 /nfs/dbraw/zinc/97/29/57/692972957.db2.gz ZGXFRJNHUXBAJC-BRWVUGGUSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819752 693011431 /nfs/dbraw/zinc/01/14/31/693011431.db2.gz HUNDVRRMSWSNPV-ZWKOTPCHSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001050563455 693207544 /nfs/dbraw/zinc/20/75/44/693207544.db2.gz KJYZNCCOBSFALV-CQSZACIVSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)CC1 ZINC001050572600 693208924 /nfs/dbraw/zinc/20/89/24/693208924.db2.gz WUYFFASLYAZPPQ-UHFFFAOYSA-N 2 0 324.428 2.367 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050652692 693224304 /nfs/dbraw/zinc/22/43/04/693224304.db2.gz YAAOWCNNNWNYRD-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001050731169 693239676 /nfs/dbraw/zinc/23/96/76/693239676.db2.gz WAXJHXQSKLPEOD-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001050765647 693247055 /nfs/dbraw/zinc/24/70/55/693247055.db2.gz UWOVAUFBCMJZCH-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925725089 693330643 /nfs/dbraw/zinc/33/06/43/693330643.db2.gz HACAYCBEZHWPTQ-OUEOUJKYSA-N 2 0 322.456 2.113 20 30 DEEDRP 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 693523419 /nfs/dbraw/zinc/52/34/19/693523419.db2.gz FDJHCPBGYOQAAD-JLOCXQCDSA-N 2 0 307.482 2.384 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052419598 693529772 /nfs/dbraw/zinc/52/97/72/693529772.db2.gz QIJBSSMSJCTQBF-HNNXBMFYSA-N 2 0 319.474 2.027 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446937 693537582 /nfs/dbraw/zinc/53/75/82/693537582.db2.gz UCOXSEMWXQWNAV-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764690 693615030 /nfs/dbraw/zinc/61/50/30/693615030.db2.gz QRUYOFNGLMNEJV-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001402384619 1162339654 /nfs/dbraw/zinc/33/96/54/1162339654.db2.gz UPHUULNUAFHRCB-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C[N@@H+]1CCCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336017608 1150591980 /nfs/dbraw/zinc/59/19/80/1150591980.db2.gz ISXDSMJXOGOCPQ-MRXNPFEDSA-N 2 0 314.433 2.208 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001380840864 1152864166 /nfs/dbraw/zinc/86/41/66/1152864166.db2.gz WWTIHFOQBPXVIF-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001390601080 1155811575 /nfs/dbraw/zinc/81/15/75/1155811575.db2.gz IFVXADMZIWYJEV-HNNXBMFYSA-N 2 0 313.873 2.053 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001392009175 1156848339 /nfs/dbraw/zinc/84/83/39/1156848339.db2.gz TVGQEVLFVQVJSY-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001393745267 1157945588 /nfs/dbraw/zinc/94/55/88/1157945588.db2.gz QUUJZAFEKUXGBB-DZGCQCFKSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001393950998 1158094362 /nfs/dbraw/zinc/09/43/62/1158094362.db2.gz OHBBLLKUVKQQFQ-NEPJUHHUSA-N 2 0 320.824 2.492 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001375245624 1158399696 /nfs/dbraw/zinc/39/96/96/1158399696.db2.gz XKLCVXGLSCMNTJ-AWEZNQCLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001376723546 1159725641 /nfs/dbraw/zinc/72/56/41/1159725641.db2.gz KICIADCRCBGPQN-ZDUSSCGKSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001377760221 1160809596 /nfs/dbraw/zinc/80/95/96/1160809596.db2.gz NAFFYIDJTMEOPO-HNNXBMFYSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001400075505 1161647593 /nfs/dbraw/zinc/64/75/93/1161647593.db2.gz AEPXTBGOJSXLSN-ZFWWWQNUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001401059618 1161865108 /nfs/dbraw/zinc/86/51/08/1161865108.db2.gz NQQYZVSDBIHVOP-HDJSIYSDSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001419236765 1168336076 /nfs/dbraw/zinc/33/60/76/1168336076.db2.gz BUXFDMBOXKANJO-ZDUSSCGKSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001419686721 1168802555 /nfs/dbraw/zinc/80/25/55/1168802555.db2.gz UFUMKURTJJDYIW-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001436473479 1179128933 /nfs/dbraw/zinc/12/89/33/1179128933.db2.gz DOBMRYDEUSWBFV-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001446660613 1184478445 /nfs/dbraw/zinc/47/84/45/1184478445.db2.gz LATMPZYHVDSFLL-UHFFFAOYSA-N 2 0 313.873 2.053 20 30 DEEDRP N#CCCCC[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001332110430 1149820446 /nfs/dbraw/zinc/82/04/46/1149820446.db2.gz HKYZWXYPXGHCGO-HNNXBMFYSA-N 2 0 322.840 2.039 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001332149095 1149825851 /nfs/dbraw/zinc/82/58/51/1149825851.db2.gz SWKJAEDNUGUHIR-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106119674 782287956 /nfs/dbraw/zinc/28/79/56/782287956.db2.gz FHLIFYCRSSMRPN-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001332882816 1149913927 /nfs/dbraw/zinc/91/39/27/1149913927.db2.gz XSIOUXLSVPWINT-OAHLLOKOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106339459 782662178 /nfs/dbraw/zinc/66/21/78/782662178.db2.gz NABJPAQCGFUYIW-TZMCWYRMSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497887 783154131 /nfs/dbraw/zinc/15/41/31/783154131.db2.gz MXZBWZBTSQPVKM-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125968 790471945 /nfs/dbraw/zinc/47/19/45/790471945.db2.gz QTLUXXRHDUNMEK-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232700 776786566 /nfs/dbraw/zinc/78/65/66/776786566.db2.gz MWSGCXPMZBXQAB-MRXNPFEDSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240246 776792000 /nfs/dbraw/zinc/79/20/00/776792000.db2.gz GLLSBPVCQLWITD-UHFFFAOYSA-N 2 0 309.498 2.417 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601631 777310420 /nfs/dbraw/zinc/31/04/20/777310420.db2.gz KWDQOLMFHCGKAY-UHFFFAOYSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599642 777961775 /nfs/dbraw/zinc/96/17/75/777961775.db2.gz VGQCOXCHFAVPLS-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908772 778245052 /nfs/dbraw/zinc/24/50/52/778245052.db2.gz KHBNEMSLFWTQPY-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104911910 778245912 /nfs/dbraw/zinc/24/59/12/778245912.db2.gz GJWCPUAVYSOCRD-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460707 790669106 /nfs/dbraw/zinc/66/91/06/790669106.db2.gz KKWQRIYHBFIQSZ-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573807 779357866 /nfs/dbraw/zinc/35/78/66/779357866.db2.gz FWCXHBWZENEZAT-OKZBNKHCSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634719 779387046 /nfs/dbraw/zinc/38/70/46/779387046.db2.gz PXAUKOPXFUZQMU-ZWKOTPCHSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671955 779405502 /nfs/dbraw/zinc/40/55/02/779405502.db2.gz XBOWXIONXVCYKZ-RCCFBDPRSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671710 779406227 /nfs/dbraw/zinc/40/62/27/779406227.db2.gz MCEWYEZNTHJEFH-BBWFWOEESA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000985501079 779875191 /nfs/dbraw/zinc/87/51/91/779875191.db2.gz IHOHVSYBJMIMRO-HNNXBMFYSA-N 2 0 313.873 2.146 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001088367149 780028857 /nfs/dbraw/zinc/02/88/57/780028857.db2.gz CNUYTDSVDBEVIN-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427031 780203660 /nfs/dbraw/zinc/20/36/60/780203660.db2.gz SDMPQNXLRDACMP-JKSUJKDBSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605088 780575391 /nfs/dbraw/zinc/57/53/91/780575391.db2.gz GNUYVBUGAISIQD-IXDOHACOSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561462 780764582 /nfs/dbraw/zinc/76/45/82/780764582.db2.gz MYFVOSRIBQTCAF-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168296916 780810719 /nfs/dbraw/zinc/81/07/19/780810719.db2.gz AKMPDIRPVQIJBY-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770327 780970122 /nfs/dbraw/zinc/97/01/22/780970122.db2.gz IZVRIWDDVCVRKY-BPQIPLTHSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323776 781216433 /nfs/dbraw/zinc/21/64/33/781216433.db2.gz GNOVMOFONPAEAE-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076365731 781235442 /nfs/dbraw/zinc/23/54/42/781235442.db2.gz LFJYIOISJNEZQX-ZWKOTPCHSA-N 2 0 313.445 2.081 20 30 DEEDRP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000948423656 783460485 /nfs/dbraw/zinc/46/04/85/783460485.db2.gz BOKAHLZEAPPFRY-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000948423655 783460566 /nfs/dbraw/zinc/46/05/66/783460566.db2.gz BOKAHLZEAPPFRY-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000948426449 783462650 /nfs/dbraw/zinc/46/26/50/783462650.db2.gz YERTXDKURFBRKS-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001085396687 783668873 /nfs/dbraw/zinc/66/88/73/783668873.db2.gz ZPKKCSZYDYKYDJ-HZPDHXFCSA-N 2 0 316.449 2.354 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904969 783811548 /nfs/dbraw/zinc/81/15/48/783811548.db2.gz WELFRONIBHKHHV-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593384 783859878 /nfs/dbraw/zinc/85/98/78/783859878.db2.gz IKWNVQZULFXLIG-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085593385 783860271 /nfs/dbraw/zinc/86/02/71/783860271.db2.gz IKWNVQZULFXLIG-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629050 783904348 /nfs/dbraw/zinc/90/43/48/783904348.db2.gz KRVKCCNSHSYSKC-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686660 783965764 /nfs/dbraw/zinc/96/57/64/783965764.db2.gz YZFRBPQZJOELQJ-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086148490 784440659 /nfs/dbraw/zinc/44/06/59/784440659.db2.gz NDOVLNMYAODMAH-XBXGTLAGSA-N 2 0 318.808 2.185 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327833 784508385 /nfs/dbraw/zinc/50/83/85/784508385.db2.gz JUVZKEPKTSGGQU-KRWDZBQOSA-N 2 0 309.498 2.417 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001086250940 784523751 /nfs/dbraw/zinc/52/37/51/784523751.db2.gz UBLUNQMGSMGFON-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000968677120 784535144 /nfs/dbraw/zinc/53/51/44/784535144.db2.gz WFZJVMXSLWDKHR-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001091283277 791076780 /nfs/dbraw/zinc/07/67/80/791076780.db2.gz BGRYXWQQEXNSBX-UHFFFAOYSA-N 2 0 301.434 2.032 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001008582891 785246477 /nfs/dbraw/zinc/24/64/77/785246477.db2.gz OLFBYXOOGXGTAE-BZUAXINKSA-N 2 0 316.449 2.070 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008751165 785295146 /nfs/dbraw/zinc/29/51/46/785295146.db2.gz ZARATFKEWRJPLH-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108785554 785533911 /nfs/dbraw/zinc/53/39/11/785533911.db2.gz INVAUPBNPVWVRJ-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP 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 785973781 /nfs/dbraw/zinc/97/37/81/785973781.db2.gz MKOSLTROAPCIJC-YVSFHVDLSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014430823 786584130 /nfs/dbraw/zinc/58/41/30/786584130.db2.gz HHTJCLNQHXQKMR-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597478 787130409 /nfs/dbraw/zinc/13/04/09/787130409.db2.gz SDOWFUUFVOXOTR-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015597938 787131082 /nfs/dbraw/zinc/13/10/82/787131082.db2.gz CPGSHGUILFNFLD-DOTOQJQBSA-N 2 0 305.466 2.160 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114303683 787206538 /nfs/dbraw/zinc/20/65/38/787206538.db2.gz CFRYHHHRKOKGPO-DZVNLGKHSA-N 2 0 321.509 2.343 20 30 DEEDRP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420060 788062376 /nfs/dbraw/zinc/06/23/76/788062376.db2.gz MGBIGZHGFXEVKF-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580045 788139314 /nfs/dbraw/zinc/13/93/14/788139314.db2.gz PMLBSDZOLAKHEQ-ZJPYXAASSA-N 2 0 317.477 2.158 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132892616 788220177 /nfs/dbraw/zinc/22/01/77/788220177.db2.gz HCJSJXGEXNDTIR-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132892617 788220207 /nfs/dbraw/zinc/22/02/07/788220207.db2.gz HCJSJXGEXNDTIR-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133039731 788257848 /nfs/dbraw/zinc/25/78/48/788257848.db2.gz VLGGDOAZVRRAFQ-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133084745 788276938 /nfs/dbraw/zinc/27/69/38/788276938.db2.gz XBBHBPPTCMBXFU-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975728 788305209 /nfs/dbraw/zinc/30/52/09/788305209.db2.gz AVRSXOQOQDWTGL-KURKYZTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275103 788346667 /nfs/dbraw/zinc/34/66/67/788346667.db2.gz PGONJTJEIMGIOT-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159155856 788880832 /nfs/dbraw/zinc/88/08/32/788880832.db2.gz VBVKRWZRWARTSK-UHFFFAOYSA-N 2 0 315.870 2.272 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730019 789053339 /nfs/dbraw/zinc/05/33/39/789053339.db2.gz RUBUSKNBPGTKPO-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077220 789189826 /nfs/dbraw/zinc/18/98/26/789189826.db2.gz MOBHMHMNEUYDNH-CVEARBPZSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170816947 789360648 /nfs/dbraw/zinc/36/06/48/789360648.db2.gz IVCFONAYEIFODZ-DOTOQJQBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086743855 789405074 /nfs/dbraw/zinc/40/50/74/789405074.db2.gz NKJKGDBRHYNYCK-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861745 789543831 /nfs/dbraw/zinc/54/38/31/789543831.db2.gz HGICNDZYZRZANC-RBSFLKMASA-N 2 0 315.889 2.344 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902314 789553316 /nfs/dbraw/zinc/55/33/16/789553316.db2.gz QCNLPHXZILKFBB-CVEARBPZSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001072798953 790250051 /nfs/dbraw/zinc/25/00/51/790250051.db2.gz CHXSFODGYTYKIS-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001146706222 791344832 /nfs/dbraw/zinc/34/48/32/791344832.db2.gz BNXNABLZNJIVMJ-IAGOWNOFSA-N 2 0 315.461 2.015 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001098462703 791634515 /nfs/dbraw/zinc/63/45/15/791634515.db2.gz JBGYTIGUSIIYII-NCOADZHNSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001148458085 791749823 /nfs/dbraw/zinc/74/98/23/791749823.db2.gz IETJVZJACPKRON-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086881996 791835412 /nfs/dbraw/zinc/83/54/12/791835412.db2.gz VPDPFBWVOYERSM-MAUKXSAKSA-N 2 0 315.461 2.422 20 30 DEEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130768 792107460 /nfs/dbraw/zinc/10/74/60/792107460.db2.gz RGPMBBPZCCXISL-INIZCTEOSA-N 2 0 321.509 2.347 20 30 DEEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2c(C)cc(C)nc2C)[C@H](C)C1 ZINC001092844684 792137586 /nfs/dbraw/zinc/13/75/86/792137586.db2.gz KWGLUWGAQJOHHO-RHSMWYFYSA-N 2 0 313.445 2.328 20 30 DEEDRP 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 792236617 /nfs/dbraw/zinc/23/66/17/792236617.db2.gz WMXJZJBSOZAIMJ-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100680867 792785436 /nfs/dbraw/zinc/78/54/36/792785436.db2.gz JBIMFNJOZXXEEW-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351978 793132255 /nfs/dbraw/zinc/13/22/55/793132255.db2.gz QUCPIPNTIKIVMM-NUJGCVRESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436750 793159133 /nfs/dbraw/zinc/15/91/33/793159133.db2.gz IKNCGPGVKJASNB-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001101547780 793223868 /nfs/dbraw/zinc/22/38/68/793223868.db2.gz PFOAPAVPRWVEKU-KRWDZBQOSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101597388 793260100 /nfs/dbraw/zinc/26/01/00/793260100.db2.gz IWYCKIQVUUPGQU-UHFFFAOYSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001094954643 793509197 /nfs/dbraw/zinc/50/91/97/793509197.db2.gz DHQAMZVYMTYOIG-IMJJTQAJSA-N 2 0 310.401 2.103 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001094961882 793518017 /nfs/dbraw/zinc/51/80/17/793518017.db2.gz LYCCYBCBRDJYCZ-QRTARXTBSA-N 2 0 310.401 2.103 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496041 793634662 /nfs/dbraw/zinc/63/46/62/793634662.db2.gz AFHTWYBIHXKQEE-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103436101 794093058 /nfs/dbraw/zinc/09/30/58/794093058.db2.gz KKHPRLGEXUHMLY-RCCFBDPRSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001103541910 794138893 /nfs/dbraw/zinc/13/88/93/794138893.db2.gz AMGRWKYHQMNLKM-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184211 794369568 /nfs/dbraw/zinc/36/95/68/794369568.db2.gz JGIWVIKCFJJAKZ-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176308965 794407824 /nfs/dbraw/zinc/40/78/24/794407824.db2.gz GPURTBSUMUIFRN-UHFFFAOYSA-N 2 0 301.862 2.101 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104215153 794429613 /nfs/dbraw/zinc/42/96/13/794429613.db2.gz PGZNXSSIBOVJKL-ZJPYXAASSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC)CC1 ZINC001176738739 794484130 /nfs/dbraw/zinc/48/41/30/794484130.db2.gz SLCZMJLUMQNDTE-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285337 794587531 /nfs/dbraw/zinc/58/75/31/794587531.db2.gz TYVNTMZTMCVVIP-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001177348449 794652100 /nfs/dbraw/zinc/65/21/00/794652100.db2.gz IDHIZIUIBKGUGF-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688804 794974870 /nfs/dbraw/zinc/97/48/70/794974870.db2.gz OGEWOUUWUCABNJ-QGZVFWFLSA-N 2 0 309.498 2.417 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178688738 794975544 /nfs/dbraw/zinc/97/55/44/794975544.db2.gz IFMLLYYXYXWSHP-YESZJQIVSA-N 2 0 307.482 2.404 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001178693187 794976961 /nfs/dbraw/zinc/97/69/61/794976961.db2.gz KIRGGXQZZPOUPD-KRWDZBQOSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925443 795022116 /nfs/dbraw/zinc/02/21/16/795022116.db2.gz HYVPKFQWGZAOBB-ULQDDVLXSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179394978 795103672 /nfs/dbraw/zinc/10/36/72/795103672.db2.gz AXQCCQXLFLZWCT-UHFFFAOYSA-N 2 0 319.449 2.244 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)[C@H]1C ZINC001179517568 795124536 /nfs/dbraw/zinc/12/45/36/795124536.db2.gz QKWPIZIMZBNQMK-KKUMJFAQSA-N 2 0 316.449 2.375 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001179779426 795169828 /nfs/dbraw/zinc/16/98/28/795169828.db2.gz OPBWROHMESYYEV-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179792491 795177819 /nfs/dbraw/zinc/17/78/19/795177819.db2.gz PIFRAWQYUORLEI-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCn1cc(CN2CCC[C@@H](Cc3nccn3C)C2)nn1 ZINC001118630127 795208017 /nfs/dbraw/zinc/20/80/17/795208017.db2.gz YMFSDNYDJLBGRC-HNNXBMFYSA-N 2 0 314.437 2.042 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001180353045 795280466 /nfs/dbraw/zinc/28/04/66/795280466.db2.gz ZBBVARWLUCPFCV-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001180356622 795281315 /nfs/dbraw/zinc/28/13/15/795281315.db2.gz FHTDKBAMOFKAQH-UHFFFAOYSA-N 2 0 315.461 2.261 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440900 795460774 /nfs/dbraw/zinc/46/07/74/795460774.db2.gz UXJMUOQBGQOBES-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448623 795461934 /nfs/dbraw/zinc/46/19/34/795461934.db2.gz CPKIEXSNRITHNF-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120448883 795462290 /nfs/dbraw/zinc/46/22/90/795462290.db2.gz HYPPAFYAWXUTCH-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001120834753 795540089 /nfs/dbraw/zinc/54/00/89/795540089.db2.gz OCXHEXVMDJAGAO-NYXDSXFPSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001121946197 795707684 /nfs/dbraw/zinc/70/76/84/795707684.db2.gz UEBLNXFQULCBFE-KRWDZBQOSA-N 2 0 321.440 2.400 20 30 DEEDRP 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 795715112 /nfs/dbraw/zinc/71/51/12/795715112.db2.gz YAIYMWSDEASSOZ-YQVWRLOYSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183254793 795838479 /nfs/dbraw/zinc/83/84/79/795838479.db2.gz GBPUVUINDYWKJH-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184722630 796115186 /nfs/dbraw/zinc/11/51/86/796115186.db2.gz CWQOJYYVMXWJNU-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168807 796201341 /nfs/dbraw/zinc/20/13/41/796201341.db2.gz JEVXOCVXOJQMAS-SJORKVTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185379260 796244369 /nfs/dbraw/zinc/24/43/69/796244369.db2.gz AZWRKRQYFYSNQU-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185535429 796286372 /nfs/dbraw/zinc/28/63/72/796286372.db2.gz DRTQTNIOZHVDFZ-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202872481 796293617 /nfs/dbraw/zinc/29/36/17/796293617.db2.gz GPUVIZBYMPJUNV-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001185676476 796308185 /nfs/dbraw/zinc/30/81/85/796308185.db2.gz YLONARCRDSGKAB-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185761565 796311848 /nfs/dbraw/zinc/31/18/48/796311848.db2.gz HSTLRNXXMFCXRT-UKRRQHHQSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161206704 796477568 /nfs/dbraw/zinc/47/75/68/796477568.db2.gz LAQSYERBJWXBKH-FUHWJXTLSA-N 2 0 319.493 2.289 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001203046746 796539290 /nfs/dbraw/zinc/53/92/90/796539290.db2.gz ASRCFFBCJFMKEM-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001188361674 796667202 /nfs/dbraw/zinc/66/72/02/796667202.db2.gz PHVHAJFCDNNPCZ-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203116080 796704382 /nfs/dbraw/zinc/70/43/82/796704382.db2.gz WZNBSTDDMYUFGT-JKSUJKDBSA-N 2 0 317.477 2.208 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389235 796816392 /nfs/dbraw/zinc/81/63/92/796816392.db2.gz IWYUDRCEBVSOAA-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149021 796938994 /nfs/dbraw/zinc/93/89/94/796938994.db2.gz OKKZJMXTZLQTSU-RCCFBDPRSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561781 797227795 /nfs/dbraw/zinc/22/77/95/797227795.db2.gz UEGZFLGRGKBMFX-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967895 797300901 /nfs/dbraw/zinc/30/09/01/797300901.db2.gz NGFAQFMKPWKHMP-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818819 797403588 /nfs/dbraw/zinc/40/35/88/797403588.db2.gz BSVUHBFJKYKZQX-SJLPKXTDSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195866031 797977662 /nfs/dbraw/zinc/97/76/62/797977662.db2.gz SLIWKMGREXOBBC-AEFFLSMTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158110 798156660 /nfs/dbraw/zinc/15/66/60/798156660.db2.gz HLYMJQVYNJTZDQ-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001203876499 798180269 /nfs/dbraw/zinc/18/02/69/798180269.db2.gz MNWCNNSGVWSXSJ-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001197545674 798204673 /nfs/dbraw/zinc/20/46/73/798204673.db2.gz OZOIMAYFQUVOON-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198098486 798280175 /nfs/dbraw/zinc/28/01/75/798280175.db2.gz XPTCWQXAKHOTTQ-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP N#Cc1cc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)nc2ccccc12 ZINC001158270989 798371325 /nfs/dbraw/zinc/37/13/25/798371325.db2.gz WZWCVXQGBRZDGC-HNNXBMFYSA-N 2 0 321.428 2.108 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158764781 798465773 /nfs/dbraw/zinc/46/57/73/798465773.db2.gz XISJDYFOLNECLG-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC)CC1 ZINC001158913975 798489164 /nfs/dbraw/zinc/48/91/64/798489164.db2.gz IMJVPOVOBQSKMR-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001160954265 798770479 /nfs/dbraw/zinc/77/04/79/798770479.db2.gz UDBXLUNTBZSMIX-INIZCTEOSA-N 2 0 315.465 2.071 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001202495985 798984639 /nfs/dbraw/zinc/98/46/39/798984639.db2.gz LWSIHAWKMMXABN-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165484301 799735731 /nfs/dbraw/zinc/73/57/31/799735731.db2.gz CEZXHYRFFRPSDM-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569444 799747280 /nfs/dbraw/zinc/74/72/80/799747280.db2.gz ZPILAPCUUJLTPM-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166545838 799887342 /nfs/dbraw/zinc/88/73/42/799887342.db2.gz QASYLFDHAOQZMX-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736914 799935727 /nfs/dbraw/zinc/93/57/27/799935727.db2.gz WEWWXPYIRCSIJU-UHFFFAOYSA-N 2 0 303.450 2.076 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203651174 800100150 /nfs/dbraw/zinc/10/01/50/800100150.db2.gz LWQVCIVBHDTMDB-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770393 800120120 /nfs/dbraw/zinc/12/01/20/800120120.db2.gz FPLMAXQLEXSQKI-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770208 800120153 /nfs/dbraw/zinc/12/01/53/800120153.db2.gz FFLLDXYAMHMOOE-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205519825 800367946 /nfs/dbraw/zinc/36/79/46/800367946.db2.gz IKDKGODFOUGIFE-UHFFFAOYSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205526085 800370359 /nfs/dbraw/zinc/37/03/59/800370359.db2.gz CRSAHAJHBQIJBS-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547108 800552542 /nfs/dbraw/zinc/55/25/42/800552542.db2.gz CZXVUQIOGSGIEB-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c(N)c3)cc2C#N)CC1 ZINC001206557257 800554635 /nfs/dbraw/zinc/55/46/35/800554635.db2.gz UWQJVRIHJFZWTG-UHFFFAOYSA-N 2 0 308.389 2.031 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206928938 800631104 /nfs/dbraw/zinc/63/11/04/800631104.db2.gz NZIMHCUWXRHXDW-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208259149 800942803 /nfs/dbraw/zinc/94/28/03/800942803.db2.gz ZPVKLFOKODVXQR-HNNXBMFYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208473789 800990841 /nfs/dbraw/zinc/99/08/41/800990841.db2.gz DXSGGPCFABECFL-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498675 800996759 /nfs/dbraw/zinc/99/67/59/800996759.db2.gz SYSVNQIJBUBYLE-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208613557 801033274 /nfs/dbraw/zinc/03/32/74/801033274.db2.gz NUDJSIXQJONLDZ-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209162740 801141649 /nfs/dbraw/zinc/14/16/49/801141649.db2.gz ZJQNHIGTAHCZAG-RTBURBONSA-N 2 0 321.509 2.214 20 30 DEEDRP COc1cc(C#N)ccc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001209329239 801171194 /nfs/dbraw/zinc/17/11/94/801171194.db2.gz WYQSKNCGXAMOOM-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565556 801220651 /nfs/dbraw/zinc/22/06/51/801220651.db2.gz BCAMTVGFJPCCQU-BRWVUGGUSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001229185603 801239071 /nfs/dbraw/zinc/23/90/71/801239071.db2.gz OYOBQFMSNUPJPK-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717312 801309624 /nfs/dbraw/zinc/30/96/24/801309624.db2.gz QOSZYVFCWCAHAD-BRWVUGGUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951584 801311507 /nfs/dbraw/zinc/31/15/07/801311507.db2.gz MFZXEKCZFGULBE-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229859875 801328989 /nfs/dbraw/zinc/32/89/89/801328989.db2.gz GQHVOMKGFXSTTH-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230171428 801366946 /nfs/dbraw/zinc/36/69/46/801366946.db2.gz FREFEDJJCDUECN-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230618072 801438166 /nfs/dbraw/zinc/43/81/66/801438166.db2.gz JRHDKKYILVFHHT-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374996 801556589 /nfs/dbraw/zinc/55/65/89/801556589.db2.gz VKGSMKRUYVYXMB-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C[C@H]2C1 ZINC001231821964 801734479 /nfs/dbraw/zinc/73/44/79/801734479.db2.gz PUUVGMDVGGWXRW-QZTJIDSGSA-N 2 0 312.461 2.420 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058502 801796628 /nfs/dbraw/zinc/79/66/28/801796628.db2.gz TWDVJUNFANPTBT-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001216349427 801966937 /nfs/dbraw/zinc/96/69/37/801966937.db2.gz YUAUPCHPJICURD-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409972 801972621 /nfs/dbraw/zinc/97/26/21/801972621.db2.gz OWDRMWBMUFPFKR-IAGOWNOFSA-N 2 0 321.509 2.489 20 30 DEEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001218870998 802252449 /nfs/dbraw/zinc/25/24/49/802252449.db2.gz FPVWDURARMQAFO-BBRMVZONSA-N 2 0 312.417 2.126 20 30 DEEDRP C=CC[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccccc1 ZINC001221360130 802559552 /nfs/dbraw/zinc/55/95/52/802559552.db2.gz DXUZWBFJTFGUEO-IAGOWNOFSA-N 2 0 313.445 2.294 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001225542722 802979558 /nfs/dbraw/zinc/97/95/58/802979558.db2.gz NNBFQZISSJZPKE-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557273 802981582 /nfs/dbraw/zinc/98/15/82/802981582.db2.gz JNKLDGNKDXLLQH-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001227225108 803218204 /nfs/dbraw/zinc/21/82/04/803218204.db2.gz KOTQPAWVZTVHHZ-KURKYZTESA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001227224704 803218420 /nfs/dbraw/zinc/21/84/20/803218420.db2.gz HAPRCCALIPDGAY-KURKYZTESA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001331073967 1149374719 /nfs/dbraw/zinc/37/47/19/1149374719.db2.gz FLSJBCBQTSRJTR-HOTGVXAUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001502499585 1060155387 /nfs/dbraw/zinc/15/53/87/1060155387.db2.gz DMJRWRUJAGVKFT-UHFFFAOYSA-N 2 0 305.466 2.162 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001505837158 1061019281 /nfs/dbraw/zinc/01/92/81/1061019281.db2.gz PKVSYMHYIXJZMC-QGZVFWFLSA-N 2 0 321.509 2.347 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479519468 1061487854 /nfs/dbraw/zinc/48/78/54/1061487854.db2.gz LPWYCBWUGWORRD-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001479843501 1061891285 /nfs/dbraw/zinc/89/12/85/1061891285.db2.gz GDZKAXOFHLBRNI-OAHLLOKOSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506679177 1062271325 /nfs/dbraw/zinc/27/13/25/1062271325.db2.gz NGUGTQGEQVDQNZ-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480089214 1062312298 /nfs/dbraw/zinc/31/22/98/1062312298.db2.gz QJPJSGBORSVPIL-KRWDZBQOSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001480287652 1062590785 /nfs/dbraw/zinc/59/07/85/1062590785.db2.gz FZMDUJZHUZXVIC-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CCC[NH2+][C@H](CCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001506992067 1062642833 /nfs/dbraw/zinc/64/28/33/1062642833.db2.gz WLSIUCILSYAYPP-GOSISDBHSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480333088 1062666915 /nfs/dbraw/zinc/66/69/15/1062666915.db2.gz QMOKPBNLSCTXKD-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001507014146 1062675999 /nfs/dbraw/zinc/67/59/99/1062675999.db2.gz BCVCLMPNDBITOU-GOSISDBHSA-N 2 0 324.428 2.106 20 30 DEEDRP 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 1062795120 /nfs/dbraw/zinc/79/51/20/1062795120.db2.gz QZCPPOWEYVQDOE-IGKNDFSCSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001507283484 1063029413 /nfs/dbraw/zinc/02/94/13/1063029413.db2.gz BOGPJINMDOEITP-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001508219269 1063614997 /nfs/dbraw/zinc/61/49/97/1063614997.db2.gz DRFCDLICGSHNCE-MRXNPFEDSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256341 1063672967 /nfs/dbraw/zinc/67/29/67/1063672967.db2.gz AXKWTCJAZCXJJM-HZPDHXFCSA-N 2 0 318.465 2.146 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001494214460 1064177786 /nfs/dbraw/zinc/17/77/86/1064177786.db2.gz WMEOLMTVLRNULO-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494329003 1064214597 /nfs/dbraw/zinc/21/45/97/1064214597.db2.gz WOCHWKGUDDECOU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001494854206 1064515228 /nfs/dbraw/zinc/51/52/28/1064515228.db2.gz WQYPQADPPQMHLI-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001568004475 1064588765 /nfs/dbraw/zinc/58/87/65/1064588765.db2.gz AOBFVRDZINFNHK-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001568238032 1064722522 /nfs/dbraw/zinc/72/25/22/1064722522.db2.gz SNCIEUFWWOEFIM-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001495182553 1064747617 /nfs/dbraw/zinc/74/76/17/1064747617.db2.gz XUOJYYWUBMGOPU-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001568465972 1064890371 /nfs/dbraw/zinc/89/03/71/1064890371.db2.gz NWPHOWMEOUVLIJ-GOSISDBHSA-N 2 0 315.461 2.116 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]cn2)cc1 ZINC001495495974 1064945944 /nfs/dbraw/zinc/94/59/44/1064945944.db2.gz HYNRYXDNUHRXDZ-AWEZNQCLSA-N 2 0 312.417 2.180 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001495698013 1065059637 /nfs/dbraw/zinc/05/96/37/1065059637.db2.gz XQWLWAOJGLAEQS-ZFWWWQNUSA-N 2 0 315.889 2.201 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001569135707 1065312318 /nfs/dbraw/zinc/31/23/18/1065312318.db2.gz ZUGVHNVLKUCEDJ-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386056 1065481592 /nfs/dbraw/zinc/48/15/92/1065481592.db2.gz IYGASXUBDZCEMX-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001496563963 1065564379 /nfs/dbraw/zinc/56/43/79/1065564379.db2.gz AFUQVSIEKRTOTQ-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001569609436 1065620412 /nfs/dbraw/zinc/62/04/12/1065620412.db2.gz FVVNGACTNZGZII-IAGOWNOFSA-N 2 0 309.498 2.413 20 30 DEEDRP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001569715733 1065687982 /nfs/dbraw/zinc/68/79/82/1065687982.db2.gz QCYNQOVRKYEKKH-MJGOQNOKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001569801119 1065726578 /nfs/dbraw/zinc/72/65/78/1065726578.db2.gz YQPPUFPGOVQROT-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001569884339 1065791338 /nfs/dbraw/zinc/79/13/38/1065791338.db2.gz QUJRBWOSJSCBDA-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001570107068 1065926882 /nfs/dbraw/zinc/92/68/82/1065926882.db2.gz UCAIDUDSWGHBGG-KRWDZBQOSA-N 2 0 317.477 2.045 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001570348358 1066025281 /nfs/dbraw/zinc/02/52/81/1066025281.db2.gz DEDCAJGXYXHMRU-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001570384029 1066042078 /nfs/dbraw/zinc/04/20/78/1066042078.db2.gz BLLPULXHKLYHGC-UHFFFAOYSA-N 2 0 304.438 2.234 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001497396291 1066071551 /nfs/dbraw/zinc/07/15/51/1066071551.db2.gz CMSPSKKBNXVDHR-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498487423 1066740002 /nfs/dbraw/zinc/74/00/02/1066740002.db2.gz GHZLBVZGOYYHDQ-SJORKVTESA-N 2 0 321.509 2.252 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001634640330 1078434128 /nfs/dbraw/zinc/43/41/28/1078434128.db2.gz BJFFGRWKZKYJMT-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001634661429 1078434999 /nfs/dbraw/zinc/43/49/99/1078434999.db2.gz RKRPMHFCNVHPPZ-SFHVURJKSA-N 2 0 315.461 2.131 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001483368748 1078488413 /nfs/dbraw/zinc/48/84/13/1078488413.db2.gz QQHOFBVOQDGXRJ-INIZCTEOSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570550596 1068000551 /nfs/dbraw/zinc/00/05/51/1068000551.db2.gz BHTQUVOTAVDNGK-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001267182333 1078645951 /nfs/dbraw/zinc/64/59/51/1078645951.db2.gz ZKRCLEIFSUEMGD-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001267185296 1078649091 /nfs/dbraw/zinc/64/90/91/1078649091.db2.gz MKLHWAAGRCQSMU-ZBFHGGJFSA-N 2 0 313.461 2.069 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001571483905 1068339815 /nfs/dbraw/zinc/33/98/15/1068339815.db2.gz XRFURPSJRMDRSZ-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001571511559 1068370215 /nfs/dbraw/zinc/37/02/15/1068370215.db2.gz SQBMKIIAGGTKPB-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001571611799 1068439626 /nfs/dbraw/zinc/43/96/26/1068439626.db2.gz MSGJDONVFCVJNG-KRWDZBQOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001272281317 1078779790 /nfs/dbraw/zinc/77/97/90/1078779790.db2.gz PWTJVRPRHWRYGH-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001670871838 1078837966 /nfs/dbraw/zinc/83/79/66/1078837966.db2.gz HUSOQSVLMSLBGP-CVEARBPZSA-N 2 0 305.466 2.208 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267460462 1078869267 /nfs/dbraw/zinc/86/92/67/1078869267.db2.gz VUMJCVACXNNPBI-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC1(CC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[NH2+]C1 ZINC001574879594 1069284720 /nfs/dbraw/zinc/28/47/20/1069284720.db2.gz GKWXDDGCCBDLOG-HNNXBMFYSA-N 2 0 321.852 2.225 20 30 DEEDRP C=CC1(CC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[NH2+]C1 ZINC001574879737 1069284825 /nfs/dbraw/zinc/28/48/25/1069284825.db2.gz JQRGITYMTUVZDR-INIZCTEOSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001267519632 1078948362 /nfs/dbraw/zinc/94/83/62/1078948362.db2.gz KGWZAEZXBFRYDZ-DLBZAZTESA-N 2 0 301.434 2.104 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001548702245 1072816062 /nfs/dbraw/zinc/81/60/62/1072816062.db2.gz GSVKGPIENZDHHC-JFIYKMOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267546686 1078976882 /nfs/dbraw/zinc/97/68/82/1078976882.db2.gz BYGZGZWKFTZGSN-KRWDZBQOSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001279164712 1078987613 /nfs/dbraw/zinc/98/76/13/1078987613.db2.gz WHPUNQBNCIVKKZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001272642490 1079031991 /nfs/dbraw/zinc/03/19/91/1079031991.db2.gz VEFSUWLKYQDHKP-GOSISDBHSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483803083 1079130554 /nfs/dbraw/zinc/13/05/54/1079130554.db2.gz ZEWKODPSDBYBHV-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001483946921 1079202412 /nfs/dbraw/zinc/20/24/12/1079202412.db2.gz MATDSPULYSSEPY-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484115155 1079306758 /nfs/dbraw/zinc/30/67/58/1079306758.db2.gz QPYJVBJRHWVVGG-MJGOQNOKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163059 1079338029 /nfs/dbraw/zinc/33/80/29/1079338029.db2.gz GQYIJGOZJNWZCQ-GOSISDBHSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267686811 1079373698 /nfs/dbraw/zinc/37/36/98/1079373698.db2.gz VTHNKFPXLFEZRR-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001566711788 1075323955 /nfs/dbraw/zinc/32/39/55/1075323955.db2.gz VEVKADNKNLIMLW-MSOLQXFVSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267703647 1079392323 /nfs/dbraw/zinc/39/23/23/1079392323.db2.gz SOGNSBDRJHNOBP-DLBZAZTESA-N 2 0 309.498 2.319 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001566942047 1075394443 /nfs/dbraw/zinc/39/44/43/1075394443.db2.gz FKMACZVPWNRVKC-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566963810 1075402007 /nfs/dbraw/zinc/40/20/07/1075402007.db2.gz ZRMBBFDQVYTCMD-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 1075405445 /nfs/dbraw/zinc/40/54/45/1075405445.db2.gz WADFBHTXBUSADV-RXYDEIHYSA-N 2 0 319.493 2.262 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267790526 1079497974 /nfs/dbraw/zinc/49/79/74/1079497974.db2.gz QDUAUIMXBVBAFK-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001484396741 1079584872 /nfs/dbraw/zinc/58/48/72/1079584872.db2.gz NKGCXBZITGBRJD-KZNAEPCWSA-N 2 0 321.509 2.108 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746132 1079588020 /nfs/dbraw/zinc/58/80/20/1079588020.db2.gz FAURDISVWJVSPW-MRXNPFEDSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001484641072 1079700843 /nfs/dbraw/zinc/70/08/43/1079700843.db2.gz NZBWQKOUCXUBFP-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP N#Cc1ccc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001651322238 1079802440 /nfs/dbraw/zinc/80/24/40/1079802440.db2.gz OZPVHOWAPJBXAI-UHFFFAOYSA-N 2 0 303.369 2.471 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001268041711 1079910266 /nfs/dbraw/zinc/91/02/66/1079910266.db2.gz CBWDDJVBZHCZNQ-UHFFFAOYSA-N 2 0 313.445 2.014 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001485085786 1079965259 /nfs/dbraw/zinc/96/52/59/1079965259.db2.gz XEHUWTHJSQIBKO-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001656077843 1080035514 /nfs/dbraw/zinc/03/55/14/1080035514.db2.gz OLIVOQQKUTYRDT-QGZVFWFLSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268161811 1080139617 /nfs/dbraw/zinc/13/96/17/1080139617.db2.gz QVPHEEBYYKJGIS-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268164637 1080146254 /nfs/dbraw/zinc/14/62/54/1080146254.db2.gz YBSNAZCBMFTLPF-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001485436983 1080207101 /nfs/dbraw/zinc/20/71/01/1080207101.db2.gz BRBYORBLRJANNH-QZTJIDSGSA-N 2 0 321.509 2.345 20 30 DEEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001485436985 1080207448 /nfs/dbraw/zinc/20/74/48/1080207448.db2.gz BRBYORBLRJANNH-ZWKOTPCHSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001268252118 1080232747 /nfs/dbraw/zinc/23/27/47/1080232747.db2.gz PAEOEHLOBYMGRG-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001661788137 1080523603 /nfs/dbraw/zinc/52/36/03/1080523603.db2.gz JZCMHWHIDGTKSN-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107030588 1080540227 /nfs/dbraw/zinc/54/02/27/1080540227.db2.gz NGNUEHDIGOIRCI-CRAIPNDOSA-N 2 0 315.461 2.232 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001481910689 1080598708 /nfs/dbraw/zinc/59/87/08/1080598708.db2.gz WHCCIMISIAQUSP-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001481938842 1080629884 /nfs/dbraw/zinc/62/98/84/1080629884.db2.gz KFSGKYWDBCBVHQ-GOSISDBHSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001268499851 1080649559 /nfs/dbraw/zinc/64/95/59/1080649559.db2.gz QWEFPIYGOTWHHO-OKILXGFUSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001662796958 1080657898 /nfs/dbraw/zinc/65/78/98/1080657898.db2.gz JNVUGKWCKUIBEI-SJORKVTESA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481976102 1080663023 /nfs/dbraw/zinc/66/30/23/1080663023.db2.gz DRNLHLGKEZOLPE-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481976103 1080663303 /nfs/dbraw/zinc/66/33/03/1080663303.db2.gz DRNLHLGKEZOLPE-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001482049842 1080750141 /nfs/dbraw/zinc/75/01/41/1080750141.db2.gz LEFWVOWUGIYUQV-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482061437 1080766109 /nfs/dbraw/zinc/76/61/09/1080766109.db2.gz JGJIOXXETNDFOZ-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001482062011 1080766666 /nfs/dbraw/zinc/76/66/66/1080766666.db2.gz WUPVEYFTMDSORU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268609909 1080887967 /nfs/dbraw/zinc/88/79/67/1080887967.db2.gz JVBMZUIKQLMVNV-SNAWJCMRSA-N 2 0 313.873 2.121 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268947458 1081059863 /nfs/dbraw/zinc/05/98/63/1081059863.db2.gz PTWLHFGZFMDYGG-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP CC#CC[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001665822442 1081086812 /nfs/dbraw/zinc/08/68/12/1081086812.db2.gz CCFNLCXMAFGXCZ-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001665833225 1081088020 /nfs/dbraw/zinc/08/80/20/1081088020.db2.gz FHYSXDHKKCDWFS-FUHWJXTLSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001665952286 1081101995 /nfs/dbraw/zinc/10/19/95/1081101995.db2.gz VIDBKCFURASYFF-HOTGVXAUSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001269084265 1081111822 /nfs/dbraw/zinc/11/18/22/1081111822.db2.gz SMTMJWQLFIZYHR-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001666486477 1081155161 /nfs/dbraw/zinc/15/51/61/1081155161.db2.gz DQNRUXGPGWEGLG-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001667028065 1081203400 /nfs/dbraw/zinc/20/34/00/1081203400.db2.gz DLQJMYBQGMCUHC-DOTOQJQBSA-N 2 0 303.450 2.302 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001667351607 1081241506 /nfs/dbraw/zinc/24/15/06/1081241506.db2.gz FWYYVEQTDUWNIE-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001269838808 1081378401 /nfs/dbraw/zinc/37/84/01/1081378401.db2.gz QVHRJOVPDOLEDD-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863906 1081404778 /nfs/dbraw/zinc/40/47/78/1081404778.db2.gz AJAFKBGRPPONGH-FUTAKVPZSA-N 2 0 305.466 2.232 20 30 DEEDRP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC(=C)C)CC1 ZINC001671504130 1081520050 /nfs/dbraw/zinc/52/00/50/1081520050.db2.gz PBIFZUPHHNELNT-UHFFFAOYSA-N 2 0 319.493 2.221 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671887334 1081546762 /nfs/dbraw/zinc/54/67/62/1081546762.db2.gz NAZYJOCEKUDKET-IEBWSBKVSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001672234293 1081570179 /nfs/dbraw/zinc/57/01/79/1081570179.db2.gz JQDKGWYZKULNJR-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001673601188 1081785183 /nfs/dbraw/zinc/78/51/83/1081785183.db2.gz FIYSMZBFQBABMA-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001673651412 1081789376 /nfs/dbraw/zinc/78/93/76/1081789376.db2.gz VEPOFFVJFAKTGV-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001482428108 1081817802 /nfs/dbraw/zinc/81/78/02/1081817802.db2.gz GHSHWPQIZDDJQL-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001482428109 1081817908 /nfs/dbraw/zinc/81/79/08/1081817908.db2.gz GHSHWPQIZDDJQL-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001674135828 1081844168 /nfs/dbraw/zinc/84/41/68/1081844168.db2.gz SFCKTTNPCRIZSA-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001674348424 1081861857 /nfs/dbraw/zinc/86/18/57/1081861857.db2.gz TXPACEQSIJOMNZ-GOSISDBHSA-N 2 0 321.509 2.301 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266247341 1081915765 /nfs/dbraw/zinc/91/57/65/1081915765.db2.gz IXVUWPWUHBYKSU-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001271560813 1082081683 /nfs/dbraw/zinc/08/16/83/1082081683.db2.gz MKFHPFCPPYLUKV-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001271783792 1082153093 /nfs/dbraw/zinc/15/30/93/1082153093.db2.gz GKSNRYKKIYEXDR-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001670586986 1082189431 /nfs/dbraw/zinc/18/94/31/1082189431.db2.gz DHFAOKQVWOCXRM-IRXDYDNUSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266860215 1082404726 /nfs/dbraw/zinc/40/47/26/1082404726.db2.gz ZUJLGGWDVBSJPM-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482642964 1082431753 /nfs/dbraw/zinc/43/17/53/1082431753.db2.gz ZOJBDZVJZUIDNZ-CABCVRRESA-N 2 0 315.889 2.250 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266893552 1082436193 /nfs/dbraw/zinc/43/61/93/1082436193.db2.gz CMJAZVSCHWTKEQ-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266901886 1082441892 /nfs/dbraw/zinc/44/18/92/1082441892.db2.gz DJBPWUSBPCWRJV-IECFSIQFSA-N 2 0 317.477 2.016 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482678801 1082469772 /nfs/dbraw/zinc/46/97/72/1082469772.db2.gz SWDAZZDTYJWQMH-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482680971 1082473279 /nfs/dbraw/zinc/47/32/79/1082473279.db2.gz GGDCHZMBMXGARP-WMLDXEAASA-N 2 0 312.417 2.317 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001482686484 1082483970 /nfs/dbraw/zinc/48/39/70/1082483970.db2.gz WEYVUKVCPKHDJV-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483011541 1082623860 /nfs/dbraw/zinc/62/38/60/1082623860.db2.gz QJARARRVBDNMRN-IWAYRVGRSA-N 2 0 319.493 2.479 20 30 DEEDRP CCCCCCC[NH+]1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277225324 1083855453 /nfs/dbraw/zinc/85/54/53/1083855453.db2.gz SUZBTYRNTALNOP-KRWDZBQOSA-N 2 0 321.509 2.489 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001277324144 1083910376 /nfs/dbraw/zinc/91/03/76/1083910376.db2.gz LLKPCNMGKYJTOX-ALOPSCKCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281557308 1084088485 /nfs/dbraw/zinc/08/84/85/1084088485.db2.gz OKNFZJMSVOMYBB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001280875058 1084095687 /nfs/dbraw/zinc/09/56/87/1084095687.db2.gz VEPQJDIGYINTEY-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP Cn1cc(C[NH+]2CC3(C2)CCN(c2cc[nH+]cc2)CC3)cc1C#N ZINC001277693778 1084098448 /nfs/dbraw/zinc/09/84/48/1084098448.db2.gz LZRBCCSHCWCAPZ-UHFFFAOYSA-N 2 0 321.428 2.394 20 30 DEEDRP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001670940804 1084159337 /nfs/dbraw/zinc/15/93/37/1084159337.db2.gz WTOYOQPJVJTEOL-OOKSDGMUSA-N 2 0 319.493 2.406 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001491260573 1084188529 /nfs/dbraw/zinc/18/85/29/1084188529.db2.gz ROQJNEGHUGNIQH-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491272576 1084200912 /nfs/dbraw/zinc/20/09/12/1084200912.db2.gz YCCZFJFRFKFMDY-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001235007890 1084269903 /nfs/dbraw/zinc/26/99/03/1084269903.db2.gz RWGWPIGMVLYMQX-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001486082925 1085048347 /nfs/dbraw/zinc/04/83/47/1085048347.db2.gz DVLYYEOQQQBGHP-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001486138000 1085083273 /nfs/dbraw/zinc/08/32/73/1085083273.db2.gz WMWJNWUMARINOA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC000964030677 1085154068 /nfs/dbraw/zinc/15/40/68/1085154068.db2.gz UWGSAMSRHKMUME-IOAIVIQVSA-N 2 0 317.477 2.206 20 30 DEEDRP C=CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001486373845 1085246661 /nfs/dbraw/zinc/24/66/61/1085246661.db2.gz FKAASADPTFQZAQ-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001486439694 1085323268 /nfs/dbraw/zinc/32/32/68/1085323268.db2.gz JAZNVFVUVOPIJY-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001486510003 1085393932 /nfs/dbraw/zinc/39/39/32/1085393932.db2.gz ZKZRVFGVIWDDBG-KRWDZBQOSA-N 2 0 316.449 2.405 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000965933110 1085701177 /nfs/dbraw/zinc/70/11/77/1085701177.db2.gz NSXZLMVNOKZMQG-APUKJBRXSA-N 2 0 319.493 2.454 20 30 DEEDRP CC#CCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966075278 1085780438 /nfs/dbraw/zinc/78/04/38/1085780438.db2.gz KEUIACUVOFUYQP-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273029358 1086034089 /nfs/dbraw/zinc/03/40/89/1086034089.db2.gz BUBXKJRZTPLGLW-IBGZPJMESA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101047 1086176127 /nfs/dbraw/zinc/17/61/27/1086176127.db2.gz MFQYMYXWDLGDPG-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001671060221 1086365261 /nfs/dbraw/zinc/36/52/61/1086365261.db2.gz YZTMYPMGLOHUHJ-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416436 1086448483 /nfs/dbraw/zinc/44/84/83/1086448483.db2.gz LHQQKCRSYZSGBH-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000963838426 1086572012 /nfs/dbraw/zinc/57/20/12/1086572012.db2.gz YVBLJHBBZVRZHJ-JUVOFCAFSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC000957568684 1088417069 /nfs/dbraw/zinc/41/70/69/1088417069.db2.gz OLCORDRXPXTYAO-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP 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 1089085496 /nfs/dbraw/zinc/08/54/96/1089085496.db2.gz KGJLUIYWXATARA-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667678 1089141240 /nfs/dbraw/zinc/14/12/40/1089141240.db2.gz QJMKLRJZBSUERO-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275406589 1091724061 /nfs/dbraw/zinc/72/40/61/1091724061.db2.gz OQXUXHGHTIFGCA-HNNXBMFYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001273559879 1091922819 /nfs/dbraw/zinc/92/28/19/1091922819.db2.gz FODLDYRUQFWQSV-KRWDZBQOSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772283 1091927669 /nfs/dbraw/zinc/92/76/69/1091927669.db2.gz VIOKDUNFWVZQIO-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001275681469 1091995475 /nfs/dbraw/zinc/99/54/75/1091995475.db2.gz SLFAUPZHTJDNDP-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001273757290 1092034459 /nfs/dbraw/zinc/03/44/59/1092034459.db2.gz YFNPXJQIXMRPSX-KRWDZBQOSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001275928017 1092332536 /nfs/dbraw/zinc/33/25/36/1092332536.db2.gz CDJWJMUKXKHVQC-GOEBONIOSA-N 2 0 318.465 2.157 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001490308249 1093299723 /nfs/dbraw/zinc/29/97/23/1093299723.db2.gz UMYIHMPAQYAJEC-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001490721466 1093481633 /nfs/dbraw/zinc/48/16/33/1093481633.db2.gz CGSLXELPXUZXPY-KRWDZBQOSA-N 2 0 307.482 2.169 20 30 DEEDRP C[NH+](C)CCN(CCCc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236922108 1138457013 /nfs/dbraw/zinc/45/70/13/1138457013.db2.gz DDYYPSFMNKJWQB-LJQANCHMSA-N 2 0 314.477 2.106 20 30 DEEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](C(C)C)CC1 ZINC001278150939 1138800840 /nfs/dbraw/zinc/80/08/40/1138800840.db2.gz GGQWCPVMZVFXFE-ZWKOTPCHSA-N 2 0 319.493 2.051 20 30 DEEDRP N#Cc1cc(-c2cc(N3CCOCC3)cc[nH+]2)cc(C2C[NH2+]C2)c1 ZINC001240343373 1139341545 /nfs/dbraw/zinc/34/15/45/1139341545.db2.gz NDWWLSJDKWREAC-UHFFFAOYSA-N 2 0 320.396 2.144 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001491799930 1140314538 /nfs/dbraw/zinc/31/45/38/1140314538.db2.gz BBIKLSMGBJTWGT-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318445552 1140331539 /nfs/dbraw/zinc/33/15/39/1140331539.db2.gz NBCLFJJDEXKYPK-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001318474046 1140342368 /nfs/dbraw/zinc/34/23/68/1140342368.db2.gz RBNXZOLUPNLNIN-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001319021381 1140491774 /nfs/dbraw/zinc/49/17/74/1140491774.db2.gz YOPWKUVKXAIHCF-HZPDHXFCSA-N 2 0 316.449 2.308 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001319405045 1140564654 /nfs/dbraw/zinc/56/46/54/1140564654.db2.gz IVWFYCJKYQJGFB-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001319751578 1140703553 /nfs/dbraw/zinc/70/35/53/1140703553.db2.gz QXNUXFQBEGWRDW-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319860783 1140772101 /nfs/dbraw/zinc/77/21/01/1140772101.db2.gz IERBEPYRAVFOGA-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001319891304 1140800938 /nfs/dbraw/zinc/80/09/38/1140800938.db2.gz TVERKRHUTRYZJB-IRXDYDNUSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001319954130 1140806191 /nfs/dbraw/zinc/80/61/91/1140806191.db2.gz GZLRTYXSAIRWOV-KRWDZBQOSA-N 2 0 309.498 2.415 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245986075 1140842470 /nfs/dbraw/zinc/84/24/70/1140842470.db2.gz UTBUXKXRFBJQGH-BRSBDYLESA-N 2 0 312.498 2.312 20 30 DEEDRP CCCC[C@@H]1C[C@H](NC(=[NH2+])c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC001246303042 1140882832 /nfs/dbraw/zinc/88/28/32/1140882832.db2.gz DNVVPKAPBROEDK-HZPDHXFCSA-N 2 0 317.433 2.489 20 30 DEEDRP C[C@H]1CC[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246318260 1140884107 /nfs/dbraw/zinc/88/41/07/1140884107.db2.gz ZQWPXTOKYKTVCY-FUHWJXTLSA-N 2 0 312.461 2.275 20 30 DEEDRP CCCCCCC[C@H](C)[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246624044 1141008984 /nfs/dbraw/zinc/00/89/84/1141008984.db2.gz DGPJHBRVNYLNOR-MAUKXSAKSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246769781 1141053341 /nfs/dbraw/zinc/05/33/41/1141053341.db2.gz RLBUMXWUBWZYQS-MPBYHJMHSA-N 2 0 306.450 2.096 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278468084 1141081321 /nfs/dbraw/zinc/08/13/21/1141081321.db2.gz XGZNPHROCXCUIJ-JFIYKMOQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]Cc1nc2cc(F)ccc2n1CC1CC[NH2+]CC1 ZINC001247034787 1141253090 /nfs/dbraw/zinc/25/30/90/1141253090.db2.gz OUXRPBAOSISKBB-UHFFFAOYSA-N 2 0 302.397 2.451 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860220 1141894249 /nfs/dbraw/zinc/89/42/49/1141894249.db2.gz OXZSUNOXGCDLGR-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278662465 1142693560 /nfs/dbraw/zinc/69/35/60/1142693560.db2.gz CCDRLEFEUIRFNF-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C[C@H](O)C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001253578134 1142882025 /nfs/dbraw/zinc/88/20/25/1142882025.db2.gz WDISGYMNFSYDOT-SFHVURJKSA-N 2 0 315.461 2.305 20 30 DEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254853413 1143339224 /nfs/dbraw/zinc/33/92/24/1143339224.db2.gz OTJSSEYINAIUPU-SFHVURJKSA-N 3 0 300.450 2.138 20 30 DEEDRP CN1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255421578 1143613484 /nfs/dbraw/zinc/61/34/84/1143613484.db2.gz LMBAZEQOIJODBJ-FHWLQOOXSA-N 2 0 312.461 2.334 20 30 DEEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCN(C)CC1)C2 ZINC001256203042 1143834891 /nfs/dbraw/zinc/83/48/91/1143834891.db2.gz BXFLPYKKWODIGW-SFHVURJKSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001279026730 1143936592 /nfs/dbraw/zinc/93/65/92/1143936592.db2.gz XYINZWOGGSTOOH-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C1C[C@@H]2CC([NH2+]CCCOCCOCCC[NH3+])C[C@H](C1)C2 ZINC001257888464 1143958015 /nfs/dbraw/zinc/95/80/15/1143958015.db2.gz OHKJBXSELYGXNT-JWTNVVGKSA-N 2 0 310.482 2.483 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+](CC)CC)CC1 ZINC001263298450 1144367020 /nfs/dbraw/zinc/36/70/20/1144367020.db2.gz WYPWPBCHSACOBX-OAHLLOKOSA-N 2 0 310.486 2.056 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001263900386 1144421819 /nfs/dbraw/zinc/42/18/19/1144421819.db2.gz DQUVMMMVTSPENH-JQHSSLGASA-N 2 0 319.493 2.169 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001263900710 1144421841 /nfs/dbraw/zinc/42/18/41/1144421841.db2.gz QWCMTANGPCFNQB-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001263907766 1144423034 /nfs/dbraw/zinc/42/30/34/1144423034.db2.gz JSWLHGQSRACTFK-JKSUJKDBSA-N 2 0 324.428 2.154 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001263923205 1144424759 /nfs/dbraw/zinc/42/47/59/1144424759.db2.gz GKUXUEXFUWXMQC-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP 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 1144445706 /nfs/dbraw/zinc/44/57/06/1144445706.db2.gz JRLFSQGINOOWOP-DJIMGWMZSA-N 2 0 307.482 2.118 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264120204 1144474170 /nfs/dbraw/zinc/47/41/70/1144474170.db2.gz FJUDGOWANPSNSH-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265306747 1144689222 /nfs/dbraw/zinc/68/92/22/1144689222.db2.gz WSFYHHDQBUVQAP-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001265360386 1144698228 /nfs/dbraw/zinc/69/82/28/1144698228.db2.gz KVUNGSZQJDFMSB-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001265488153 1144706691 /nfs/dbraw/zinc/70/66/91/1144706691.db2.gz USVINQYXWFDWAQ-WKILWMFISA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266215469 1144815330 /nfs/dbraw/zinc/81/53/30/1144815330.db2.gz KTCFPOPJGJPIQQ-FGTMMUONSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001266219129 1144815484 /nfs/dbraw/zinc/81/54/84/1144815484.db2.gz WEFHKVKMOPMVFZ-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266219737 1144815777 /nfs/dbraw/zinc/81/57/77/1144815777.db2.gz IYDFDWIPMLGKKM-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001280053347 1144831444 /nfs/dbraw/zinc/83/14/44/1144831444.db2.gz PAWGTLBPVFKTLZ-WMZOPIPTSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001280355233 1144836453 /nfs/dbraw/zinc/83/64/53/1144836453.db2.gz ZLKUQQQOJFBJGU-INIZCTEOSA-N 2 0 315.461 2.319 20 30 DEEDRP C=CCC[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001283450268 1145430435 /nfs/dbraw/zinc/43/04/35/1145430435.db2.gz ZIGIHBWDOYPKRC-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001283883859 1145689357 /nfs/dbraw/zinc/68/93/57/1145689357.db2.gz FIJIMNHDIGNUHG-WMLDXEAASA-N 2 0 312.417 2.411 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001284072078 1145785251 /nfs/dbraw/zinc/78/52/51/1145785251.db2.gz PFKCPTNLVZXVBB-FUHWJXTLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001284072080 1145786040 /nfs/dbraw/zinc/78/60/40/1145786040.db2.gz PFKCPTNLVZXVBB-WMZOPIPTSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001284150273 1145808207 /nfs/dbraw/zinc/80/82/07/1145808207.db2.gz ALUMHRQEDLKICV-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001284818103 1145924899 /nfs/dbraw/zinc/92/48/99/1145924899.db2.gz COLPELHZFVLDJV-KLAILNCOSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001316638433 1146078268 /nfs/dbraw/zinc/07/82/68/1146078268.db2.gz VZIDSBKCXOKOIO-BRSBDYLESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001316707768 1147372664 /nfs/dbraw/zinc/37/26/64/1147372664.db2.gz GDCFAVSGZHMWNC-IKGGRYGDSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316881641 1147567844 /nfs/dbraw/zinc/56/78/44/1147567844.db2.gz QNLRNTIAXMNDQV-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001316812479 1147583425 /nfs/dbraw/zinc/58/34/25/1147583425.db2.gz WVRGRFPFWBGEBC-SJORKVTESA-N 2 0 321.509 2.203 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316804400 1147603253 /nfs/dbraw/zinc/60/32/53/1147603253.db2.gz JOKWNGIRZSFHCG-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317220849 1147679015 /nfs/dbraw/zinc/67/90/15/1147679015.db2.gz MCZABNIMRAXRRE-KLAILNCOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317422664 1147705026 /nfs/dbraw/zinc/70/50/26/1147705026.db2.gz IGTFDLADXOODLX-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317504199 1147716987 /nfs/dbraw/zinc/71/69/87/1147716987.db2.gz BIJAYLGQCXXELI-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001324943161 1147860404 /nfs/dbraw/zinc/86/04/04/1147860404.db2.gz DVVWDKBDMIAENX-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001326351025 1148083054 /nfs/dbraw/zinc/08/30/54/1148083054.db2.gz ULEKTNIDXQTACA-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001326379434 1148088502 /nfs/dbraw/zinc/08/85/02/1148088502.db2.gz HCUVUGBJOWHITD-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001326399180 1148092513 /nfs/dbraw/zinc/09/25/13/1148092513.db2.gz XFXZOGZOFMEXKZ-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001326766706 1148238356 /nfs/dbraw/zinc/23/83/56/1148238356.db2.gz JANFYLCDDSUMHI-INIZCTEOSA-N 2 0 300.406 2.242 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001326773763 1148241026 /nfs/dbraw/zinc/24/10/26/1148241026.db2.gz JMHXIRDICCVBNO-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000181467897 199301825 /nfs/dbraw/zinc/30/18/25/199301825.db2.gz CGWZPUWBWPPHLS-OAHLLOKOSA-N 2 0 300.450 2.235 20 30 DEEDRP COCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000066242320 354705883 /nfs/dbraw/zinc/70/58/83/354705883.db2.gz FGSREVFXLGWSAM-CQSZACIVSA-N 2 0 324.494 2.072 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000076158290 355131247 /nfs/dbraw/zinc/13/12/47/355131247.db2.gz NBQMBZWDBHHTPR-UHFFFAOYSA-N 2 0 313.445 2.074 20 30 DEEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)CC1 ZINC000589341640 357465980 /nfs/dbraw/zinc/46/59/80/357465980.db2.gz CBXBJHRGDOCDAZ-FXAWDEMLSA-N 2 0 324.472 2.304 20 30 DEEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322333 358054491 /nfs/dbraw/zinc/05/44/91/358054491.db2.gz MDVBLVIKIVAQJV-BEFAXECRSA-N 2 0 312.461 2.110 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000602595872 360449081 /nfs/dbraw/zinc/44/90/81/360449081.db2.gz FKKASSPWPJQINC-QAPCUYQASA-N 2 0 301.434 2.283 20 30 DEEDRP C=CC[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680484990 542012328 /nfs/dbraw/zinc/01/23/28/542012328.db2.gz UCWBPUVPPLURLN-KRWDZBQOSA-N 2 0 304.434 2.188 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000267917168 206337372 /nfs/dbraw/zinc/33/73/72/206337372.db2.gz HSIBELWMFUQDPW-UHFFFAOYSA-N 2 0 302.466 2.264 20 30 DEEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000320580320 533331951 /nfs/dbraw/zinc/33/19/51/533331951.db2.gz VGPCSKARMQKLMJ-AWEZNQCLSA-N 2 0 314.433 2.159 20 30 DEEDRP C[N@H+](CCN1CC[NH+](CCCCC#N)CC1)Cc1ccccc1 ZINC000066534555 402135722 /nfs/dbraw/zinc/13/57/22/402135722.db2.gz PSXWGYPUXHVSQB-UHFFFAOYSA-N 2 0 314.477 2.430 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000123694674 402141802 /nfs/dbraw/zinc/14/18/02/402141802.db2.gz OHBQFFHKRZXVLT-LBPRGKRZSA-N 2 0 309.483 2.155 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000274673005 403077042 /nfs/dbraw/zinc/07/70/42/403077042.db2.gz YJRSMMYMUZGOBU-CABCVRRESA-N 2 0 318.440 2.374 20 30 DEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1 ZINC000344145295 403937164 /nfs/dbraw/zinc/93/71/64/403937164.db2.gz OXBKDPQRGWXJCJ-UHFFFAOYSA-N 2 0 314.477 2.408 20 30 DEEDRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238302 403999479 /nfs/dbraw/zinc/99/94/79/403999479.db2.gz ISJYEPNJMIBFIJ-FRFSOERESA-N 2 0 316.424 2.206 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001422899358 1172905015 /nfs/dbraw/zinc/90/50/15/1172905015.db2.gz IEENMZBJNKLTJQ-RBSFLKMASA-N 2 0 313.873 2.096 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000358833162 404777262 /nfs/dbraw/zinc/77/72/62/404777262.db2.gz SOCAMQXNJBOMRZ-UHFFFAOYSA-N 2 0 322.497 2.248 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C(C)C ZINC000417072277 405026986 /nfs/dbraw/zinc/02/69/86/405026986.db2.gz XEDYXCFWSJMDJG-IXDOHACOSA-N 2 0 322.497 2.077 20 30 DEEDRP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421353822 405468584 /nfs/dbraw/zinc/46/85/84/405468584.db2.gz UWCJTJDGMCZSEL-UHFFFAOYSA-N 2 0 321.446 2.127 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457541526 405889678 /nfs/dbraw/zinc/88/96/78/405889678.db2.gz KRWLBJXROOTPKV-UHFFFAOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000577045568 406834976 /nfs/dbraw/zinc/83/49/76/406834976.db2.gz WWPWILHDFKFDEE-UHFFFAOYSA-N 2 0 314.433 2.104 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000195291249 225202300 /nfs/dbraw/zinc/20/23/00/225202300.db2.gz GVZCVCQQEGTIHC-INIZCTEOSA-N 2 0 309.417 2.330 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000653110661 425407228 /nfs/dbraw/zinc/40/72/28/425407228.db2.gz PZMRQDIWECJCIR-IAGOWNOFSA-N 2 0 307.482 2.191 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC000662673602 425709392 /nfs/dbraw/zinc/70/93/92/425709392.db2.gz OKBQOXLSOVPPCQ-SFHVURJKSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662744622 425726795 /nfs/dbraw/zinc/72/67/95/425726795.db2.gz ANUDQDPZFFSIAN-SJLPKXTDSA-N 2 0 305.466 2.019 20 30 DEEDRP C[C@H](C(=O)NC1(CCO)CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000329301448 289231350 /nfs/dbraw/zinc/23/13/50/289231350.db2.gz WGSQDCSXPYIBLG-OAHLLOKOSA-N 2 0 311.470 2.054 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)c(F)c1 ZINC000583078909 337236668 /nfs/dbraw/zinc/23/66/68/337236668.db2.gz ZGRZJDIYZVDLOS-CVEARBPZSA-N 2 0 316.424 2.398 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001378378337 1152309833 /nfs/dbraw/zinc/30/98/33/1152309833.db2.gz HVXXWDMTFGSBJP-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001330020930 1149034974 /nfs/dbraw/zinc/03/49/74/1149034974.db2.gz JUCWJGXNJRZDEZ-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330231311 1149075630 /nfs/dbraw/zinc/07/56/30/1149075630.db2.gz YDLDVRFWVVSJQM-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C[C@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)N1 ZINC000262655444 533990978 /nfs/dbraw/zinc/99/09/78/533990978.db2.gz LOACITQBEMOCPT-RDJZCZTQSA-N 2 0 300.450 2.397 20 30 DEEDRP N#CCCOCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000339200900 534651926 /nfs/dbraw/zinc/65/19/26/534651926.db2.gz KSCPEYMBCJZCOX-MOPGFXCFSA-N 2 0 313.445 2.371 20 30 DEEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(C)Cc1ccon1 ZINC000261795149 526349020 /nfs/dbraw/zinc/34/90/20/526349020.db2.gz QWEZRAZGWFXGTM-AWEZNQCLSA-N 2 0 321.469 2.192 20 30 DEEDRP C=CC[C@@H](CC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000341425638 527039094 /nfs/dbraw/zinc/03/90/94/527039094.db2.gz BAQKNQDGSAMHIQ-SJORKVTESA-N 2 0 324.513 2.399 20 30 DEEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248481381 527210511 /nfs/dbraw/zinc/21/05/11/527210511.db2.gz BEHRQUXHXZLWQE-NCXUSEDFSA-N 2 0 300.446 2.424 20 30 DEEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248481383 527211171 /nfs/dbraw/zinc/21/11/71/527211171.db2.gz BEHRQUXHXZLWQE-WJFTUGDTSA-N 2 0 300.446 2.424 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@@H](CC)C2)C1 ZINC000261813174 528256331 /nfs/dbraw/zinc/25/63/31/528256331.db2.gz HTSDWNLSPFJHHN-CABCVRRESA-N 2 0 312.527 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001368730519 1148622069 /nfs/dbraw/zinc/62/20/69/1148622069.db2.gz IRRKTJAIZFZFDX-LSDHHAIUSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694840 625390840 /nfs/dbraw/zinc/39/08/40/625390840.db2.gz MGEWQAAJGKCKOJ-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761787 625427618 /nfs/dbraw/zinc/42/76/18/625427618.db2.gz JJDAJYBPJLUNED-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023762227 625428241 /nfs/dbraw/zinc/42/82/41/625428241.db2.gz UQWOFJDKJKQSNF-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472418 625466385 /nfs/dbraw/zinc/46/63/85/625466385.db2.gz QEFYINSZPDLCLL-GDBMZVCRSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001026518404 625494685 /nfs/dbraw/zinc/49/46/85/625494685.db2.gz SYAPOAULAPYCNC-WLYUNCDWSA-N 2 0 316.449 2.026 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525722 625501221 /nfs/dbraw/zinc/50/12/21/625501221.db2.gz RLOZHOMZTPLFCS-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001020432491 622637497 /nfs/dbraw/zinc/63/74/97/622637497.db2.gz OHLJPNNWLJMGLR-QAQDUYKDSA-N 2 0 315.461 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319074 623400631 /nfs/dbraw/zinc/40/06/31/623400631.db2.gz RBKLFILCNGYYEQ-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970328339 623404099 /nfs/dbraw/zinc/40/40/99/623404099.db2.gz JGWVMOMZQPAGHM-JYJNAYRXSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970928085 623797154 /nfs/dbraw/zinc/79/71/54/623797154.db2.gz IQVXARUWMOHUJU-HNNXBMFYSA-N 2 0 315.461 2.374 20 30 DEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000891495597 624215335 /nfs/dbraw/zinc/21/53/35/624215335.db2.gz QLZYXDLHLTVIDP-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972156502 624871828 /nfs/dbraw/zinc/87/18/28/624871828.db2.gz MSQZUSOXPHXKKH-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413115 625259501 /nfs/dbraw/zinc/25/95/01/625259501.db2.gz AEIGHOJZWWCVSK-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413114 625259766 /nfs/dbraw/zinc/25/97/66/625259766.db2.gz AEIGHOJZWWCVSK-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]12 ZINC001026301632 625279441 /nfs/dbraw/zinc/27/94/41/625279441.db2.gz BHSLTQZJVMDYHS-BRWVUGGUSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024619886 625936662 /nfs/dbraw/zinc/93/66/62/625936662.db2.gz HDNIYLXISJWUFY-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC001000211573 634793815 /nfs/dbraw/zinc/79/38/15/634793815.db2.gz RCHVMEHLGNWYHG-UHFFFAOYSA-N 2 0 324.428 2.495 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC1(C)C ZINC000996008586 633161281 /nfs/dbraw/zinc/16/12/81/633161281.db2.gz KWCMLHZDQNESBW-MRXNPFEDSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996450608 633263279 /nfs/dbraw/zinc/26/32/79/633263279.db2.gz VQQLBZPPXBZYKC-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974747868 633279604 /nfs/dbraw/zinc/27/96/04/633279604.db2.gz SBGQZGZHRFAOKY-QGZVFWFLSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000996651264 633329816 /nfs/dbraw/zinc/32/98/16/633329816.db2.gz AERMQFHQGRTUKI-OAHLLOKOSA-N 2 0 313.873 2.194 20 30 DEEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975114853 633429461 /nfs/dbraw/zinc/42/94/61/633429461.db2.gz XHWVNTSJXWYBAR-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997079969 633567894 /nfs/dbraw/zinc/56/78/94/633567894.db2.gz URCXDKVPMMRKHL-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997085384 633572914 /nfs/dbraw/zinc/57/29/14/633572914.db2.gz OXKMPSXNRYYRGV-QAPCUYQASA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997120120 633602242 /nfs/dbraw/zinc/60/22/42/633602242.db2.gz MQDVKBLJFXHZKJ-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997180357 633669302 /nfs/dbraw/zinc/66/93/02/633669302.db2.gz PYKQDNWPFCFVHM-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997333401 633702612 /nfs/dbraw/zinc/70/26/12/633702612.db2.gz LOHZFNHCJYGFQB-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997360591 633713696 /nfs/dbraw/zinc/71/36/96/633713696.db2.gz PCIBZKDEDXKCPY-KBPBESRZSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027411320 633750156 /nfs/dbraw/zinc/75/01/56/633750156.db2.gz OZAFDFLQLLEQLE-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027469632 633841641 /nfs/dbraw/zinc/84/16/41/633841641.db2.gz GYVULKSZADQFCY-QGZVFWFLSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997735040 633953855 /nfs/dbraw/zinc/95/38/55/633953855.db2.gz LIJJKPGMMZUTSQ-AWEZNQCLSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980138126 634858165 /nfs/dbraw/zinc/85/81/65/634858165.db2.gz AGDIFRJGRMGMBP-BHYGNILZSA-N 2 0 324.428 2.351 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244783 634909226 /nfs/dbraw/zinc/90/92/26/634909226.db2.gz YXRBJMDHFWPJDC-KSZLIROESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001000677627 635273278 /nfs/dbraw/zinc/27/32/78/635273278.db2.gz UAQGCULIZBYVOM-HKUYNNGSSA-N 2 0 315.461 2.230 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029800 635309582 /nfs/dbraw/zinc/30/95/82/635309582.db2.gz MDJCRPKQWYRKNX-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001000839477 635318597 /nfs/dbraw/zinc/31/85/97/635318597.db2.gz FETRNRXWHRRQTL-ROUUACIJSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981147568 635332387 /nfs/dbraw/zinc/33/23/87/635332387.db2.gz VFIYEYWOXOHAOM-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001116467 635409739 /nfs/dbraw/zinc/40/97/39/635409739.db2.gz BOZNWZZSMXKPGG-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981324652 635439967 /nfs/dbraw/zinc/43/99/67/635439967.db2.gz RFVVQZKGOYUONH-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001251346 635441018 /nfs/dbraw/zinc/44/10/18/635441018.db2.gz DPIOUVGZZMOYRK-MSOLQXFVSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001372269 635481619 /nfs/dbraw/zinc/48/16/19/635481619.db2.gz SFVHENNCHVLNOS-ZWKOTPCHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001001471969 635504443 /nfs/dbraw/zinc/50/44/43/635504443.db2.gz PMJOBJMEXQFMJK-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000981535890 635520624 /nfs/dbraw/zinc/52/06/24/635520624.db2.gz WSHQSIOHAYIGRS-ROUUACIJSA-N 2 0 313.445 2.012 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001758276 635550244 /nfs/dbraw/zinc/55/02/44/635550244.db2.gz AZDZZVBLCIGWNF-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001001821403 635555636 /nfs/dbraw/zinc/55/56/36/635555636.db2.gz BSUZXBMODBFLST-HNNXBMFYSA-N 2 0 316.449 2.234 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001002024441 635606296 /nfs/dbraw/zinc/60/62/96/635606296.db2.gz IYUHCYUGJLOCOQ-UHFFFAOYSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC000982042284 635841716 /nfs/dbraw/zinc/84/17/16/635841716.db2.gz KRDGTCGAQODKBW-MRXNPFEDSA-N 2 0 316.449 2.335 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116039 635875700 /nfs/dbraw/zinc/87/57/00/635875700.db2.gz FHRGCOPTJDLWSJ-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003009797 635883875 /nfs/dbraw/zinc/88/38/75/635883875.db2.gz BLEGVHCRIYVLGC-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003374637 635944208 /nfs/dbraw/zinc/94/42/08/635944208.db2.gz BZRZDYWRFSOJEY-KRWDZBQOSA-N 2 0 305.466 2.018 20 30 DEEDRP 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 636262027 /nfs/dbraw/zinc/26/20/27/636262027.db2.gz RCLYXEZGWAUVJH-QRQLOZEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004539997 636485921 /nfs/dbraw/zinc/48/59/21/636485921.db2.gz AOOFCWYCGFSWDD-AEFFLSMTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658899 636568025 /nfs/dbraw/zinc/56/80/25/636568025.db2.gz JDLNMYMGFBBKEN-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006083638 637181449 /nfs/dbraw/zinc/18/14/49/637181449.db2.gz LGLPSGLZSUWQKQ-KRWDZBQOSA-N 2 0 307.482 2.358 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895608205 638108831 /nfs/dbraw/zinc/10/88/31/638108831.db2.gz ZIKGFLOEPIXKQH-INIZCTEOSA-N 2 0 300.450 2.468 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000747404377 638434928 /nfs/dbraw/zinc/43/49/28/638434928.db2.gz JEPPZULSJMUXND-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000985801565 639643678 /nfs/dbraw/zinc/64/36/78/639643678.db2.gz HAVCTOJTRXDYGY-HOTGVXAUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000986956115 640024348 /nfs/dbraw/zinc/02/43/48/640024348.db2.gz JUEYZZHTDUFHEG-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000764495386 640646601 /nfs/dbraw/zinc/64/66/01/640646601.db2.gz SQYFJGRLQGFVDJ-HNNXBMFYSA-N 2 0 303.450 2.350 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989521091 641135877 /nfs/dbraw/zinc/13/58/77/641135877.db2.gz CNNFHTCJGHRTDE-HIFRSBDPSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989732083 641209971 /nfs/dbraw/zinc/20/99/71/641209971.db2.gz AXQIZNKIUKMMAI-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990694023 641607183 /nfs/dbraw/zinc/60/71/83/641607183.db2.gz ZOWYOPIPQNHAFZ-YQVWRLOYSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000900418276 642364063 /nfs/dbraw/zinc/36/40/63/642364063.db2.gz WRFUJXHCWVDQOS-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000900867663 642507697 /nfs/dbraw/zinc/50/76/97/642507697.db2.gz BBXBIFSARPUPFD-GOSISDBHSA-N 2 0 315.461 2.227 20 30 DEEDRP CC(C)(C)OC(=O)N1CC[NH+](CCCCC[NH2+]CCC#N)CC1 ZINC000905584705 643966452 /nfs/dbraw/zinc/96/64/52/643966452.db2.gz BKHQPBHHZIDHQI-UHFFFAOYSA-N 2 0 324.469 2.213 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000907952919 644699480 /nfs/dbraw/zinc/69/94/80/644699480.db2.gz GTCJLLGEJHIAKX-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000817974944 647397472 /nfs/dbraw/zinc/39/74/72/647397472.db2.gz OOFICHILWDTLLL-INIZCTEOSA-N 2 0 316.445 2.365 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480603 647683999 /nfs/dbraw/zinc/68/39/99/647683999.db2.gz QGLRGGBQAJTCQH-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535334 647692157 /nfs/dbraw/zinc/69/21/57/647692157.db2.gz JDAVXNCCZUPCPD-RHSMWYFYSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805956 647747112 /nfs/dbraw/zinc/74/71/12/647747112.db2.gz NTQVHQZRTAYNAF-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000939147742 648581281 /nfs/dbraw/zinc/58/12/81/648581281.db2.gz PNHOCNBCNCSENU-CRAIPNDOSA-N 2 0 315.461 2.027 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798304 648948228 /nfs/dbraw/zinc/94/82/28/648948228.db2.gz GDGZXDPYKILBEQ-IAGOWNOFSA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867910 648958456 /nfs/dbraw/zinc/95/84/56/648958456.db2.gz NOUVEQTXISUJKR-KRWDZBQOSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027312 648988867 /nfs/dbraw/zinc/98/88/67/648988867.db2.gz VFKUNFJZYAWHGB-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941162929 649011428 /nfs/dbraw/zinc/01/14/28/649011428.db2.gz CEBVAZOHGODEAK-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942054568 649145730 /nfs/dbraw/zinc/14/57/30/649145730.db2.gz XLVZUMUUJQXHJT-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435985 649207395 /nfs/dbraw/zinc/20/73/95/649207395.db2.gz QREILWNQWLNECG-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(C)cc1 ZINC000304764028 685260793 /nfs/dbraw/zinc/26/07/93/685260793.db2.gz XLARDARTSLFJBY-JKSUJKDBSA-N 2 0 318.465 2.151 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054099464 693844177 /nfs/dbraw/zinc/84/41/77/693844177.db2.gz IWAKHCQZUIJUCE-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054145396 693861918 /nfs/dbraw/zinc/86/19/18/693861918.db2.gz OSTYHSYACXUEJS-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054153607 693864944 /nfs/dbraw/zinc/86/49/44/693864944.db2.gz UXZQHTQXCQCWAC-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054153604 693865288 /nfs/dbraw/zinc/86/52/88/693865288.db2.gz UXZQHTQXCQCWAC-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054196763 693877250 /nfs/dbraw/zinc/87/72/50/693877250.db2.gz MOCNNVXECSJGTR-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054197940 693879324 /nfs/dbraw/zinc/87/93/24/693879324.db2.gz LZXYETNYJREAPQ-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219078 693888060 /nfs/dbraw/zinc/88/80/60/693888060.db2.gz GLROOMMICXTVMZ-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000303773162 685234348 /nfs/dbraw/zinc/23/43/48/685234348.db2.gz FDSMQEDFDDPQRI-CYBMUJFWSA-N 2 0 322.453 2.407 20 30 DEEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)NCCc1ccccc1 ZINC000303773996 685234571 /nfs/dbraw/zinc/23/45/71/685234571.db2.gz FRMKWABBXPDYCR-UHFFFAOYSA-N 2 0 302.466 2.400 20 30 DEEDRP CC[C@@H](CNC(=[NH2+])NCC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000303900110 685239191 /nfs/dbraw/zinc/23/91/91/685239191.db2.gz RZHVVOFCMYPYKG-KRWDZBQOSA-N 2 0 302.466 2.384 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001054826545 694054823 /nfs/dbraw/zinc/05/48/23/694054823.db2.gz MEIBTNKLUBVINJ-CXAGYDPISA-N 2 0 312.417 2.269 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001054826557 694054881 /nfs/dbraw/zinc/05/48/81/694054881.db2.gz MPPFFESWVYUMRU-GDBMZVCRSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016631538 687669398 /nfs/dbraw/zinc/66/93/98/687669398.db2.gz UGIJSMXMXUONNI-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016651653 687674704 /nfs/dbraw/zinc/67/47/04/687674704.db2.gz JRRLNSQDVDUKSP-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016700101 687685052 /nfs/dbraw/zinc/68/50/52/687685052.db2.gz BQHNZRGRPIUVJA-IAGOWNOFSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016828191 687711460 /nfs/dbraw/zinc/71/14/60/687711460.db2.gz DLOTVFPLKGBYDT-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001016949145 687741307 /nfs/dbraw/zinc/74/13/07/687741307.db2.gz AZUKWHBJVKMOGP-APWZRJJASA-N 2 0 317.477 2.019 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001017553599 687910955 /nfs/dbraw/zinc/91/09/55/687910955.db2.gz NWIMFFLUMHMZCH-IXDOHACOSA-N 2 0 305.466 2.111 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000930556127 694188689 /nfs/dbraw/zinc/18/86/89/694188689.db2.gz SECZEENCLOXQDZ-IBGZPJMESA-N 2 0 311.429 2.024 20 30 DEEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1=O ZINC000872157759 688941344 /nfs/dbraw/zinc/94/13/44/688941344.db2.gz QUMDZWRPPYEUBC-SZMVWBNQSA-N 2 0 319.493 2.393 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470657 689513871 /nfs/dbraw/zinc/51/38/71/689513871.db2.gz BYKXTXCPIVKIMN-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033684684 689583414 /nfs/dbraw/zinc/58/34/14/689583414.db2.gz HGAJTNDFMHOIDA-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825587 689627787 /nfs/dbraw/zinc/62/77/87/689627787.db2.gz FPPNHQBFHDUGDJ-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825982 689628329 /nfs/dbraw/zinc/62/83/29/689628329.db2.gz LCIKDDMSHFBBPX-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033830431 689630136 /nfs/dbraw/zinc/63/01/36/689630136.db2.gz IEKJDOCQILSWLN-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331941 689812839 /nfs/dbraw/zinc/81/28/39/689812839.db2.gz WBVSBYZHJGVPKX-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034433889 689848550 /nfs/dbraw/zinc/84/85/50/689848550.db2.gz HVHLKVQEMJECKO-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034433888 689848630 /nfs/dbraw/zinc/84/86/30/689848630.db2.gz HVHLKVQEMJECKO-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034440031 689851252 /nfs/dbraw/zinc/85/12/52/689851252.db2.gz YMKJUUDKZRXKIW-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034486563 689869573 /nfs/dbraw/zinc/86/95/73/689869573.db2.gz BGXRHKIQJSPJPC-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001034642532 689917154 /nfs/dbraw/zinc/91/71/54/689917154.db2.gz GPEUMMBOOMMYOJ-XSLAGTTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000876737506 689922288 /nfs/dbraw/zinc/92/22/88/689922288.db2.gz RWKNWMPZWBJGAM-WCQYABFASA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000876740347 689922642 /nfs/dbraw/zinc/92/26/42/689922642.db2.gz LTCQWBBZOOHOKU-KGLIPLIRSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035226201 690065454 /nfs/dbraw/zinc/06/54/54/690065454.db2.gz DVJDSYUFJWJUSI-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035257285 690076035 /nfs/dbraw/zinc/07/60/35/690076035.db2.gz VUPIAQWMGSLAGB-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001036300197 690315000 /nfs/dbraw/zinc/31/50/00/690315000.db2.gz AFFDDOWIKLDUMA-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]C(C)C)CC1 ZINC001037280985 690602612 /nfs/dbraw/zinc/60/26/12/690602612.db2.gz ZESYTOZWDVABCZ-QZTJIDSGSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]C(C)C)CC1 ZINC001037280986 690602618 /nfs/dbraw/zinc/60/26/18/690602618.db2.gz ZESYTOZWDVABCZ-ROUUACIJSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1CC ZINC001037869782 690628030 /nfs/dbraw/zinc/62/80/30/690628030.db2.gz POVUXSQZUQQLNZ-QAPCUYQASA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1CC ZINC001037908436 690638046 /nfs/dbraw/zinc/63/80/46/690638046.db2.gz ZAURMUDAQPTQRK-ZBFHGGJFSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038443127 690824543 /nfs/dbraw/zinc/82/45/43/690824543.db2.gz GEILTDUDIMYRIB-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001039278837 691073718 /nfs/dbraw/zinc/07/37/18/691073718.db2.gz CGLQJOFFQOJASV-HMQMGEFJSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039280845 691074285 /nfs/dbraw/zinc/07/42/85/691074285.db2.gz DGBJYRDTTIQUJO-HQSKLWIPSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327432 691230933 /nfs/dbraw/zinc/23/09/33/691230933.db2.gz FQYZQZOHDATSHC-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395887 691242461 /nfs/dbraw/zinc/24/24/61/691242461.db2.gz RCFWFNRYSRUTHN-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040707868 691281447 /nfs/dbraw/zinc/28/14/47/691281447.db2.gz KIJRXMJOXLGKNY-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041275606 691354137 /nfs/dbraw/zinc/35/41/37/691354137.db2.gz GBJQCGNZBIJDBT-HKUYNNGSSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042134277 691517089 /nfs/dbraw/zinc/51/70/89/691517089.db2.gz OEMTXMKCNQHYBA-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156060 691524623 /nfs/dbraw/zinc/52/46/23/691524623.db2.gz GKBGHXLZFHINNG-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044734969 691879784 /nfs/dbraw/zinc/87/97/84/691879784.db2.gz YJUXAIMEXFSSPG-ZFWWWQNUSA-N 2 0 313.873 2.050 20 30 DEEDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886100243 692003393 /nfs/dbraw/zinc/00/33/93/692003393.db2.gz IYRJQHWKCIFLCE-KRWDZBQOSA-N 2 0 307.482 2.485 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962069 692062803 /nfs/dbraw/zinc/06/28/03/692062803.db2.gz FKQBMVSMZIABTI-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046368639 692167074 /nfs/dbraw/zinc/16/70/74/692167074.db2.gz FTVJDTYWSIOYRE-FUHWJXTLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046561661 692224202 /nfs/dbraw/zinc/22/42/02/692224202.db2.gz JAOBVZDQFAIFNJ-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000887136480 692289041 /nfs/dbraw/zinc/28/90/41/692289041.db2.gz UZKDEVFBNYVBDB-RDJZCZTQSA-N 2 0 314.433 2.037 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263829 692404681 /nfs/dbraw/zinc/40/46/81/692404681.db2.gz DEXCLEOTFMSEIR-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527816 692640478 /nfs/dbraw/zinc/64/04/78/692640478.db2.gz WEWSXIBDLLZJSF-MHORFTMASA-N 2 0 319.493 2.404 20 30 DEEDRP 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 692648355 /nfs/dbraw/zinc/64/83/55/692648355.db2.gz QBFOLAHISXCNDE-SFFUCWETSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001048590671 692655694 /nfs/dbraw/zinc/65/56/94/692655694.db2.gz VUIXGMOYJPZGJR-XMTFNYHQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545797 692917617 /nfs/dbraw/zinc/91/76/17/692917617.db2.gz MVEBFTRDMAIPNF-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049841639 693018253 /nfs/dbraw/zinc/01/82/53/693018253.db2.gz SYKYFNYNCHFMGE-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001050544253 693204459 /nfs/dbraw/zinc/20/44/59/693204459.db2.gz PNEHDPNMOITOHM-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050554040 693205819 /nfs/dbraw/zinc/20/58/19/693205819.db2.gz NSAHAUYDYINOBX-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664654 693227691 /nfs/dbraw/zinc/22/76/91/693227691.db2.gz PJAMVQCFOHAGPQ-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001050694825 693233777 /nfs/dbraw/zinc/23/37/77/693233777.db2.gz LKBMCQNWICPINA-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000925845896 693352128 /nfs/dbraw/zinc/35/21/28/693352128.db2.gz SDZGIOHVFSOBRX-MRXNPFEDSA-N 2 0 300.450 2.284 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052425937 693532092 /nfs/dbraw/zinc/53/20/92/693532092.db2.gz HQQXFGGEJJQSHF-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651858 693588984 /nfs/dbraw/zinc/58/89/84/693588984.db2.gz NVIFSNOHCRUWQY-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658386 693590094 /nfs/dbraw/zinc/59/00/94/693590094.db2.gz MFKXJJXBYKHIAW-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052676474 693593180 /nfs/dbraw/zinc/59/31/80/693593180.db2.gz HCSCCXZJENNXFX-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001381994923 1153309391 /nfs/dbraw/zinc/30/93/91/1153309391.db2.gz HAEWHGQAWYDDOR-CQSZACIVSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001382084184 1153351194 /nfs/dbraw/zinc/35/11/94/1153351194.db2.gz CCDOQHKGGIGWAR-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001403065687 1162685014 /nfs/dbraw/zinc/68/50/14/1162685014.db2.gz DSWUNJBNRTWPPP-CYBMUJFWSA-N 2 0 309.841 2.209 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001373961283 1157498201 /nfs/dbraw/zinc/49/82/01/1157498201.db2.gz YOUMMEXCHPUHKR-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001394487497 1158580156 /nfs/dbraw/zinc/58/01/56/1158580156.db2.gz YUHRZNKIQRNDLD-AWEZNQCLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)CN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001377553641 1160540264 /nfs/dbraw/zinc/54/02/64/1160540264.db2.gz LDXWXJBKQBEVJJ-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001401832086 1162148246 /nfs/dbraw/zinc/14/82/46/1162148246.db2.gz USPAOCSCFUQWMM-GJZGRUSLSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001418745652 1167937875 /nfs/dbraw/zinc/93/78/75/1167937875.db2.gz XUFUDDLWCRERMH-VHDGCEQUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001420129175 1169181498 /nfs/dbraw/zinc/18/14/98/1169181498.db2.gz FORHWARMBKRWTN-CYBMUJFWSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001421281082 1171667144 /nfs/dbraw/zinc/66/71/44/1171667144.db2.gz KBVZZEJJBZCIJM-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001422434275 1172588266 /nfs/dbraw/zinc/58/82/66/1172588266.db2.gz GSPKSEXBOFZRHG-UHFFFAOYSA-N 2 0 313.445 2.371 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001422689131 1172810353 /nfs/dbraw/zinc/81/03/53/1172810353.db2.gz KNWUBVLTOWWTGY-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001423598939 1173439642 /nfs/dbraw/zinc/43/96/42/1173439642.db2.gz GKSVEXGUTZOMMW-CYBMUJFWSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001437927785 1180086384 /nfs/dbraw/zinc/08/63/84/1180086384.db2.gz GQXGGHRIZJMGNF-CABCVRRESA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001440394359 1181478293 /nfs/dbraw/zinc/47/82/93/1181478293.db2.gz DWOZFRZDUHOIGM-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001441034028 1181832015 /nfs/dbraw/zinc/83/20/15/1181832015.db2.gz KBCUHHBLNZLRJY-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001441096007 1181846217 /nfs/dbraw/zinc/84/62/17/1181846217.db2.gz ZLPFRXRPRXVELB-GJZGRUSLSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001446588252 1184431470 /nfs/dbraw/zinc/43/14/70/1184431470.db2.gz XEFVEALFAWTNQA-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001332012958 1149808115 /nfs/dbraw/zinc/80/81/15/1149808115.db2.gz HHTSILRSBBYXEU-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072850497 790273337 /nfs/dbraw/zinc/27/33/37/790273337.db2.gz ZWRGCEQQFYWAAJ-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225190 782701815 /nfs/dbraw/zinc/70/18/15/782701815.db2.gz OALOJFDSRKUSCM-IAGOWNOFSA-N 2 0 321.509 2.203 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106730549 782896223 /nfs/dbraw/zinc/89/62/23/782896223.db2.gz DRKPKGZMPXXHIK-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765116 782923404 /nfs/dbraw/zinc/92/34/04/782923404.db2.gz NYPMRKMGZXKJME-CRAIPNDOSA-N 2 0 315.461 2.232 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484481 783150281 /nfs/dbraw/zinc/15/02/81/783150281.db2.gz XOTUVBQJRQUJHL-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179343 776751250 /nfs/dbraw/zinc/75/12/50/776751250.db2.gz FSSRZBBOUKDOBS-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104623843 777975113 /nfs/dbraw/zinc/97/51/13/777975113.db2.gz HMDOJRXOBIFZMR-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104691775 778025896 /nfs/dbraw/zinc/02/58/96/778025896.db2.gz VIKWOCKDLPNICW-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104917271 778249017 /nfs/dbraw/zinc/24/90/17/778249017.db2.gz ZGDLUUCDNORJLG-HUUCEWRRSA-N 2 0 316.449 2.021 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454389 790665685 /nfs/dbraw/zinc/66/56/85/790665685.db2.gz LMBOESUBOCKEGU-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150851 779730543 /nfs/dbraw/zinc/73/05/43/779730543.db2.gz ZZBGIZDZKUCPOZ-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001088323398 779951922 /nfs/dbraw/zinc/95/19/22/779951922.db2.gz NDIWDDHPTYCXGA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327232 779959163 /nfs/dbraw/zinc/95/91/63/779959163.db2.gz IKPYCKULHOTTSY-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001088342256 779995217 /nfs/dbraw/zinc/99/52/17/779995217.db2.gz FPMSMQJDFCFUSA-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088381247 780050098 /nfs/dbraw/zinc/05/00/98/780050098.db2.gz AIWNVOFMUISSMU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561463 780764886 /nfs/dbraw/zinc/76/48/86/780764886.db2.gz MYFVOSRIBQTCAF-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908661 783265411 /nfs/dbraw/zinc/26/54/11/783265411.db2.gz URMKDRXJQMGDQX-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)C[C@H]1C ZINC000947941212 783274610 /nfs/dbraw/zinc/27/46/10/783274610.db2.gz ZGHHGPXAQJIKGQ-CABCVRRESA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001091144645 790931328 /nfs/dbraw/zinc/93/13/28/790931328.db2.gz NDOVLNMYAODMAH-UHFFFAOYSA-N 2 0 318.808 2.185 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089690055 783355111 /nfs/dbraw/zinc/35/51/11/783355111.db2.gz KOAMPAHOKBQOFX-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364330 783439738 /nfs/dbraw/zinc/43/97/38/783439738.db2.gz DLPNQCUXQSFNHF-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647178 783548974 /nfs/dbraw/zinc/54/89/74/783548974.db2.gz FHQIOKDGZNTWST-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001085319945 783638954 /nfs/dbraw/zinc/63/89/54/783638954.db2.gz XCCZELVWNFKAEO-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001085353306 783650079 /nfs/dbraw/zinc/65/00/79/783650079.db2.gz YXOYSUGJMKHRTO-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629052 783905328 /nfs/dbraw/zinc/90/53/28/783905328.db2.gz KRVKCCNSHSYSKC-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001114922257 784491781 /nfs/dbraw/zinc/49/17/81/784491781.db2.gz VVZGGZONONJEKM-XWTMOSNGSA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086277979 784540239 /nfs/dbraw/zinc/54/02/39/784540239.db2.gz BXKCPUYGVGSTGI-ZNMIVQPWSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968857083 784620551 /nfs/dbraw/zinc/62/05/51/784620551.db2.gz SLTOKWYLGGMSMK-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968863771 784625396 /nfs/dbraw/zinc/62/53/96/784625396.db2.gz KPKHAMNJVCEXQB-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882751 784635791 /nfs/dbraw/zinc/63/57/91/784635791.db2.gz TYSOAXHPPYNLHO-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933958 784658005 /nfs/dbraw/zinc/65/80/05/784658005.db2.gz ISCZOVMDLOMXOO-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2nccn21 ZINC001171248398 791123557 /nfs/dbraw/zinc/12/35/57/791123557.db2.gz UJBASUXJWDSKLU-GJZGRUSLSA-N 2 0 304.438 2.211 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007026 786127509 /nfs/dbraw/zinc/12/75/09/786127509.db2.gz FBMHVJRANIMJBM-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001112910937 786290793 /nfs/dbraw/zinc/29/07/93/786290793.db2.gz MNONZHRQAHRIFY-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001113682929 786758251 /nfs/dbraw/zinc/75/82/51/786758251.db2.gz YRHDZWFWSBMBGS-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493961 788104742 /nfs/dbraw/zinc/10/47/42/788104742.db2.gz OIMKDCOQLPPVBE-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133072901 788267623 /nfs/dbraw/zinc/26/76/23/788267623.db2.gz MHYVRWHWJSQDTB-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133263581 788340251 /nfs/dbraw/zinc/34/02/51/788340251.db2.gz XUZSAUAPLAMUMI-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133253960 788342240 /nfs/dbraw/zinc/34/22/40/788342240.db2.gz NMJSHGQCBOGEGV-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608680 789003350 /nfs/dbraw/zinc/00/33/50/789003350.db2.gz YZJVZLQLCMQWBL-OLZOCXBDSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808285 789096847 /nfs/dbraw/zinc/09/68/47/789096847.db2.gz GXQDTOVJNYOORJ-QWHCGFSZSA-N 2 0 300.406 2.315 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299561 789278619 /nfs/dbraw/zinc/27/86/19/789278619.db2.gz YASYAEKVDHJKPF-UONOGXRCSA-N 2 0 307.438 2.404 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086758918 789470617 /nfs/dbraw/zinc/47/06/17/789470617.db2.gz DVCVBGGZSVFCRV-GOEBONIOSA-N 2 0 312.417 2.399 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944303 789569807 /nfs/dbraw/zinc/56/98/07/789569807.db2.gz IHPVXOBSVWCWPZ-KGLIPLIRSA-N 2 0 304.438 2.210 20 30 DEEDRP N#Cc1c(Cl)nc(Cl)c(N[C@H]([NH3+])CCC[NH3+])c1Cl ZINC001170896570 789643144 /nfs/dbraw/zinc/64/31/44/789643144.db2.gz HJXUDMYHOMJBNB-LURJTMIESA-N 2 0 308.600 2.349 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071629278 789827346 /nfs/dbraw/zinc/82/73/46/789827346.db2.gz XLSWBWFXIQBIQA-HOCLYGCPSA-N 2 0 324.428 2.249 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584702 791309425 /nfs/dbraw/zinc/30/94/25/791309425.db2.gz UNEGBMSFFITSNI-HZPDHXFCSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161037481 791512869 /nfs/dbraw/zinc/51/28/69/791512869.db2.gz YYGOSACMVQSSKI-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3ccnc3)C2)CC1 ZINC001086959610 791865131 /nfs/dbraw/zinc/86/51/31/791865131.db2.gz LKLPKBDVKPXZPJ-MRXNPFEDSA-N 2 0 316.449 2.162 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001098846446 791960910 /nfs/dbraw/zinc/96/09/10/791960910.db2.gz JPVCBLVIXZSBGU-BMFAXAFESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099063179 792068880 /nfs/dbraw/zinc/06/88/80/792068880.db2.gz SHBYUNSHBHNXHR-HKUYNNGSSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110537 792099956 /nfs/dbraw/zinc/09/99/56/792099956.db2.gz FWYOGBLSFJKYFQ-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001093226114 792295778 /nfs/dbraw/zinc/29/57/78/792295778.db2.gz VLXZAPAIOWRASW-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100320853 792589797 /nfs/dbraw/zinc/58/97/97/792589797.db2.gz VRWNMNQBHCTJBZ-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536251 792709872 /nfs/dbraw/zinc/70/98/72/792709872.db2.gz QWBDBFWFHODUGC-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100733962 792819328 /nfs/dbraw/zinc/81/93/28/792819328.db2.gz HJMYOBCYRNXZGC-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094459481 792934034 /nfs/dbraw/zinc/93/40/34/792934034.db2.gz MLINTMNGGVTGED-SJLPKXTDSA-N 2 0 317.477 2.162 20 30 DEEDRP 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 793055042 /nfs/dbraw/zinc/05/50/42/793055042.db2.gz OVYLXZXWQFJYJD-OWSLCNJRSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268481 793090241 /nfs/dbraw/zinc/09/02/41/793090241.db2.gz CVIQLVUPERHLEY-APWZRJJASA-N 2 0 319.493 2.217 20 30 DEEDRP 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 793135355 /nfs/dbraw/zinc/13/53/55/793135355.db2.gz MQJPKIZVFQFUKN-APWZRJJASA-N 2 0 321.509 2.321 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646064 793157955 /nfs/dbraw/zinc/15/79/55/793157955.db2.gz IBGNMGAXUXRMQP-QZTJIDSGSA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001101583466 793246370 /nfs/dbraw/zinc/24/63/70/793246370.db2.gz ZMGWPRCDPIQUDL-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001101594822 793256711 /nfs/dbraw/zinc/25/67/11/793256711.db2.gz QPNXUHPCZYQKIQ-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C[C@H](CCCC#N)[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172495069 793437683 /nfs/dbraw/zinc/43/76/83/793437683.db2.gz MLZJPSADRZCJIA-MRXNPFEDSA-N 2 0 315.465 2.419 20 30 DEEDRP C#CCCN1CCC[C@@H]([NH2+]C2CCC([NH+](CC)CC)CC2)C1=O ZINC001173107386 793580457 /nfs/dbraw/zinc/58/04/57/793580457.db2.gz PXKSZMFZYLVNLT-DAWZGUTISA-N 2 0 319.493 2.243 20 30 DEEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C1CCC(CC#N)CC1 ZINC001173335777 793681774 /nfs/dbraw/zinc/68/17/74/793681774.db2.gz XYCGNEGNRQUORP-ZGUYJTEBSA-N 2 0 304.482 2.169 20 30 DEEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544390 794139732 /nfs/dbraw/zinc/13/97/32/794139732.db2.gz NXMYNQFUUXZGGV-KURKYZTESA-N 2 0 321.509 2.060 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273780 794165369 /nfs/dbraw/zinc/16/53/69/794165369.db2.gz WCACFFNHGBVIAA-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757226 794213344 /nfs/dbraw/zinc/21/33/44/794213344.db2.gz RPXLBPSNAIMHJS-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175573944 794244863 /nfs/dbraw/zinc/24/48/63/794244863.db2.gz RPSUSQCUGYEMLS-IAGOWNOFSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001104212662 794427697 /nfs/dbraw/zinc/42/76/97/794427697.db2.gz XKVLAMIDNMNXHZ-BRSBDYLESA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728636 794482118 /nfs/dbraw/zinc/48/21/18/794482118.db2.gz NBAJTMOGMIGQJZ-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754482 794497570 /nfs/dbraw/zinc/49/75/70/794497570.db2.gz WQIOIUPOLQIELC-CQSZACIVSA-N 2 0 303.878 2.344 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176760442 794498406 /nfs/dbraw/zinc/49/84/06/794498406.db2.gz WPOPNVPWISTMAD-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCC(C)(C)C)CC1 ZINC001176926420 794529854 /nfs/dbraw/zinc/52/98/54/794529854.db2.gz LOCNHUIBTAQXNK-UHFFFAOYSA-N 2 0 321.509 2.254 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)CCC ZINC001177469149 794672743 /nfs/dbraw/zinc/67/27/43/794672743.db2.gz XADLKFKHWDHLFA-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536629 794813958 /nfs/dbraw/zinc/81/39/58/794813958.db2.gz AIPVHGOJKGCJOD-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591944 794832029 /nfs/dbraw/zinc/83/20/29/794832029.db2.gz LVCCGRVXGIPUNH-IRXDYDNUSA-N 2 0 317.477 2.045 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179133830 795067220 /nfs/dbraw/zinc/06/72/20/795067220.db2.gz BQRTZGNBNGAXOH-GOSISDBHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179238898 795082688 /nfs/dbraw/zinc/08/26/88/795082688.db2.gz FXPBCRZHUPHVPF-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179431390 795113594 /nfs/dbraw/zinc/11/35/94/795113594.db2.gz YAKBQXYSVIYGEP-JYJNAYRXSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179586435 795138016 /nfs/dbraw/zinc/13/80/16/795138016.db2.gz OQAWXXYEYJQFRU-IAGOWNOFSA-N 2 0 309.498 2.417 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749880 795171824 /nfs/dbraw/zinc/17/18/24/795171824.db2.gz YLSCVBJORUPQDQ-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120429828 795458873 /nfs/dbraw/zinc/45/88/73/795458873.db2.gz BUGFYZPNHHLRII-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC001121923318 795704984 /nfs/dbraw/zinc/70/49/84/795704984.db2.gz XMKZMSRALVNKDO-HNNXBMFYSA-N 2 0 319.453 2.080 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231046 795738464 /nfs/dbraw/zinc/73/84/64/795738464.db2.gz BWLTYGGVVJNVQQ-WLOQGADPSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001182985843 795792187 /nfs/dbraw/zinc/79/21/87/795792187.db2.gz AARZDORVOUYXFJ-IEBWSBKVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183516903 795878971 /nfs/dbraw/zinc/87/89/71/795878971.db2.gz DTNIFMPSFPKPJP-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C[C@@H]1C ZINC001184533499 796076661 /nfs/dbraw/zinc/07/66/61/796076661.db2.gz FZHSEKYYOOVFHG-JSGCOSHPSA-N 2 0 324.856 2.169 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184714297 796109518 /nfs/dbraw/zinc/10/95/18/796109518.db2.gz WWJHQWRCDWIMCB-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185348489 796235874 /nfs/dbraw/zinc/23/58/74/796235874.db2.gz QAUBENFMIVLOPF-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185361472 796238893 /nfs/dbraw/zinc/23/88/93/796238893.db2.gz YYAZKHDUAWQDIG-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384380 796246409 /nfs/dbraw/zinc/24/64/09/796246409.db2.gz DGDHPCHRYVMIKU-QGZVFWFLSA-N 2 0 309.498 2.489 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161206705 796476880 /nfs/dbraw/zinc/47/68/80/796476880.db2.gz LAQSYERBJWXBKH-SJLPKXTDSA-N 2 0 319.493 2.289 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190491576 797020598 /nfs/dbraw/zinc/02/05/98/797020598.db2.gz IQUWTLFYMDJPNY-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191143374 797154068 /nfs/dbraw/zinc/15/40/68/797154068.db2.gz AKUMMLQQUZMOOX-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192387917 797378276 /nfs/dbraw/zinc/37/82/76/797378276.db2.gz ZPAODANTNJMXEP-AWEZNQCLSA-N 2 0 315.889 2.250 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917214 797471224 /nfs/dbraw/zinc/47/12/24/797471224.db2.gz LBBKTFNPDSDIBW-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001193381946 797556156 /nfs/dbraw/zinc/55/61/56/797556156.db2.gz CLWINHGAMMNSHG-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227591 797696469 /nfs/dbraw/zinc/69/64/69/797696469.db2.gz LDIVHPIEVHKZJL-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275733 797696997 /nfs/dbraw/zinc/69/69/97/797696997.db2.gz XOENUWHJHFOYQJ-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196155735 798014382 /nfs/dbraw/zinc/01/43/82/798014382.db2.gz RLRFNKOMWBNWKC-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138377 798148964 /nfs/dbraw/zinc/14/89/64/798148964.db2.gz YCVRBNCQWOOQED-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197126188 798151331 /nfs/dbraw/zinc/15/13/31/798151331.db2.gz XNNSVWZCDRRNAX-OAHLLOKOSA-N 2 0 316.449 2.330 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157951177 798312440 /nfs/dbraw/zinc/31/24/40/798312440.db2.gz RQIWGUTXDLAIPR-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158083420 798339083 /nfs/dbraw/zinc/33/90/83/798339083.db2.gz XRZFQPNGGPEGBX-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200842319 798686276 /nfs/dbraw/zinc/68/62/76/798686276.db2.gz WWHKECPWWSTSTM-MRXNPFEDSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160500118 798696703 /nfs/dbraw/zinc/69/67/03/798696703.db2.gz LKOLKTFPELFMFS-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP N#Cc1c(N[C@H]2CC[N@@H+](C3CCC3)C2)ncc2c1CCC[NH2+]C2 ZINC001161175223 798805838 /nfs/dbraw/zinc/80/58/38/798805838.db2.gz FOFZVIZKZVIIRF-AWEZNQCLSA-N 2 0 311.433 2.028 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161214250 798811852 /nfs/dbraw/zinc/81/18/52/798811852.db2.gz WBKBBCYCHLODMG-INIZCTEOSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606028 799669759 /nfs/dbraw/zinc/66/97/59/799669759.db2.gz ORKJXCMTSZBBFY-IKGGRYGDSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472607 799735799 /nfs/dbraw/zinc/73/57/99/799735799.db2.gz ONBCXOKKKCNERD-QGZVFWFLSA-N 2 0 321.509 2.417 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472606 799735998 /nfs/dbraw/zinc/73/59/98/799735998.db2.gz ONBCXOKKKCNERD-KRWDZBQOSA-N 2 0 321.509 2.417 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165763510 799770852 /nfs/dbraw/zinc/77/08/52/799770852.db2.gz AGSBBGOBUCLGFS-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325180 800037136 /nfs/dbraw/zinc/03/71/36/800037136.db2.gz KKGZJOCQFKEEDQ-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427025 800046035 /nfs/dbraw/zinc/04/60/35/800046035.db2.gz SDMPQNXLRDACMP-CVEARBPZSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204061577 800165533 /nfs/dbraw/zinc/16/55/33/800165533.db2.gz GAIGUYHTOBAAAJ-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c(C#N)c1 ZINC001205493683 800364144 /nfs/dbraw/zinc/36/41/44/800364144.db2.gz JDXMMVPIDNBHPG-UHFFFAOYSA-N 2 0 320.456 2.403 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205519077 800367798 /nfs/dbraw/zinc/36/77/98/800367798.db2.gz UTBYMMSMCSGBGB-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1OC ZINC001205558100 800377203 /nfs/dbraw/zinc/37/72/03/800377203.db2.gz BVDKEQDLXRVPLH-GOSISDBHSA-N 2 0 320.408 2.360 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547110 800552789 /nfs/dbraw/zinc/55/27/89/800552789.db2.gz CZXVUQIOGSGIEB-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951253 800639261 /nfs/dbraw/zinc/63/92/61/800639261.db2.gz HGAPETKEGRXWRG-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207611844 800788915 /nfs/dbraw/zinc/78/89/15/800788915.db2.gz XVEYCUOSBUFEIT-VHDGCEQUSA-N 2 0 313.873 2.050 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460209 800988089 /nfs/dbraw/zinc/98/80/89/800988089.db2.gz QAWVUOJZWOTTJQ-MRXNPFEDSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208606186 801027513 /nfs/dbraw/zinc/02/75/13/801027513.db2.gz DKHBCIGCTOCDBM-GUDVDZBRSA-N 2 0 322.493 2.402 20 30 DEEDRP C=CCCC[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001209160901 801140291 /nfs/dbraw/zinc/14/02/91/801140291.db2.gz DDEJASDLBRLPNO-UHFFFAOYSA-N 2 0 306.454 2.133 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001209891471 801303218 /nfs/dbraw/zinc/30/32/18/801303218.db2.gz DTJQSMNCMWZKFK-OAHLLOKOSA-N 2 0 304.438 2.163 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141296 801365355 /nfs/dbraw/zinc/36/53/55/801365355.db2.gz FDPCVPRUVZYQMK-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219310479 802309640 /nfs/dbraw/zinc/30/96/40/802309640.db2.gz GAGBYJUKIYGRKQ-INIZCTEOSA-N 2 0 317.509 2.310 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234265707 802337921 /nfs/dbraw/zinc/33/79/21/802337921.db2.gz KYYUBBWSWZHPPQ-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP CCCC(C[NH3+])(CCC)NC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001221373235 802560614 /nfs/dbraw/zinc/56/06/14/802560614.db2.gz GGZKHEFRYOMRSL-MRXNPFEDSA-N 2 0 316.449 2.362 20 30 DEEDRP CCCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521340 802700424 /nfs/dbraw/zinc/70/04/24/802700424.db2.gz QTUGZHXFKTXZTG-SFHVURJKSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223472883 802793083 /nfs/dbraw/zinc/79/30/83/802793083.db2.gz XIVFYLBHQVDZPT-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001223507850 802796289 /nfs/dbraw/zinc/79/62/89/802796289.db2.gz XBAWVSKZSZADQR-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C[NH+](C)CCCCO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224991748 802924675 /nfs/dbraw/zinc/92/46/75/802924675.db2.gz ZYAGGTFWCAXOKD-GOSISDBHSA-N 2 0 301.434 2.491 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225426747 802964643 /nfs/dbraw/zinc/96/46/43/802964643.db2.gz GDHZYLPCKJPFLS-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226890105 803172403 /nfs/dbraw/zinc/17/24/03/803172403.db2.gz IMHDGSSRQMPJKP-GVDBMIGSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228342371 803347524 /nfs/dbraw/zinc/34/75/24/803347524.db2.gz ZUXKCRRNOWAZCV-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559158 803373919 /nfs/dbraw/zinc/37/39/19/803373919.db2.gz MEVFTLASHDIWGG-BRWVUGGUSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001500495400 1058853560 /nfs/dbraw/zinc/85/35/60/1058853560.db2.gz DKUMMLQNWNMXON-HKUYNNGSSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001501394541 1059489393 /nfs/dbraw/zinc/48/93/93/1059489393.db2.gz IJCITNYGFVGACP-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H](C)CC)CCC2)CC1 ZINC001502029428 1059883655 /nfs/dbraw/zinc/88/36/55/1059883655.db2.gz XQBVXJQMZPMXMK-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001480076882 1151551480 /nfs/dbraw/zinc/55/14/80/1151551480.db2.gz GCSUFKAZBXUBAZ-OKZBNKHCSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001505447769 1060610427 /nfs/dbraw/zinc/61/04/27/1060610427.db2.gz COFDLZBLBFHBQN-JKSUJKDBSA-N 2 0 304.438 2.333 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001505506048 1060665037 /nfs/dbraw/zinc/66/50/37/1060665037.db2.gz HNHJUQDOYARYPE-KLAILNCOSA-N 2 0 319.493 2.454 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001505837157 1061020017 /nfs/dbraw/zinc/02/00/17/1061020017.db2.gz PKVSYMHYIXJZMC-KRWDZBQOSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001479736328 1061660311 /nfs/dbraw/zinc/66/03/11/1061660311.db2.gz ANCLRGGYAWSFBV-INIZCTEOSA-N 2 0 304.438 2.162 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001479747960 1061675311 /nfs/dbraw/zinc/67/53/11/1061675311.db2.gz KAXWJACPMJTXTB-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001479914892 1062043375 /nfs/dbraw/zinc/04/33/75/1062043375.db2.gz XTUYUZNCLHKMAI-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001479994602 1062157396 /nfs/dbraw/zinc/15/73/96/1062157396.db2.gz WFRCPLZNQWUTQN-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001480096857 1062322952 /nfs/dbraw/zinc/32/29/52/1062322952.db2.gz AICVUDVRNDSZHY-YESZJQIVSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480098250 1062324357 /nfs/dbraw/zinc/32/43/57/1062324357.db2.gz NFZHUDHMBNLJNJ-XLAORIBOSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480282912 1062584248 /nfs/dbraw/zinc/58/42/48/1062584248.db2.gz FRKYMUIAONAKEN-AWEZNQCLSA-N 2 0 321.490 2.438 20 30 DEEDRP CC#CC[NH2+][C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001506988569 1062639812 /nfs/dbraw/zinc/63/98/12/1062639812.db2.gz VCWDZJXTMGOAJP-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001480369951 1062728388 /nfs/dbraw/zinc/72/83/88/1062728388.db2.gz OHEPHQCGQUUDLF-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001507396726 1063223995 /nfs/dbraw/zinc/22/39/95/1063223995.db2.gz FAOVGQFWIAEJSN-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001507408507 1063245090 /nfs/dbraw/zinc/24/50/90/1063245090.db2.gz GQVGSKVOWOZAGX-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001507417100 1063258313 /nfs/dbraw/zinc/25/83/13/1063258313.db2.gz SGDGTCGHGZHGFD-WBVHZDCISA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001493086700 1063550383 /nfs/dbraw/zinc/55/03/83/1063550383.db2.gz UMMAIEFVKRAGCH-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001493832695 1063982053 /nfs/dbraw/zinc/98/20/53/1063982053.db2.gz YRQUDHKYIQQHAB-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001494206476 1064173912 /nfs/dbraw/zinc/17/39/12/1064173912.db2.gz MXBDNDVUTYPZSA-UHFFFAOYSA-N 2 0 309.498 2.321 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567774623 1064415481 /nfs/dbraw/zinc/41/54/81/1064415481.db2.gz GCYAENVLGRVWOB-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001567882997 1064481770 /nfs/dbraw/zinc/48/17/70/1064481770.db2.gz VIXRULDOXGNFQN-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C[NH2+]CC)CCCC[C@H]2C)CC1 ZINC001568043520 1064615572 /nfs/dbraw/zinc/61/55/72/1064615572.db2.gz LOKKYMWEAOFIPZ-VQIMIIECSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001568393632 1064832677 /nfs/dbraw/zinc/83/26/77/1064832677.db2.gz PDDMXWHVMODACV-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001495519877 1064961153 /nfs/dbraw/zinc/96/11/53/1064961153.db2.gz JROCHFXQICVDTF-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001495948757 1065190537 /nfs/dbraw/zinc/19/05/37/1065190537.db2.gz KBYOGBSTUVRMAE-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001496324137 1065408098 /nfs/dbraw/zinc/40/80/98/1065408098.db2.gz NOEXDIDXNFYAPU-GOSISDBHSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001496326753 1065409498 /nfs/dbraw/zinc/40/94/98/1065409498.db2.gz OTUQPSKNXIZKIY-WMZOPIPTSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001569443097 1065510724 /nfs/dbraw/zinc/51/07/24/1065510724.db2.gz WQZGSSAQNBPCJN-ALOPSCKCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569716419 1065688256 /nfs/dbraw/zinc/68/82/56/1065688256.db2.gz XGLOFJLZUXEQBC-MJGOQNOKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569984150 1065860567 /nfs/dbraw/zinc/86/05/67/1065860567.db2.gz QGPVDDIVDIRXRP-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001569985650 1065862178 /nfs/dbraw/zinc/86/21/78/1065862178.db2.gz VOBJDFACMLJHIS-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001570449583 1066078481 /nfs/dbraw/zinc/07/84/81/1066078481.db2.gz RNAWFJCAOLMOJT-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001497444768 1066098613 /nfs/dbraw/zinc/09/86/13/1066098613.db2.gz ODXNUUCAKMMGPS-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC001578626658 1067141372 /nfs/dbraw/zinc/14/13/72/1067141372.db2.gz DVSCKSJWHZGQRH-HNNXBMFYSA-N 2 0 311.433 2.409 20 30 DEEDRP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001499530689 1067248790 /nfs/dbraw/zinc/24/87/90/1067248790.db2.gz WPIDQUDFYYDDRO-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP N#Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC001580062417 1067486075 /nfs/dbraw/zinc/48/60/75/1067486075.db2.gz YLPLEAJMFFODOR-LESCRADOSA-N 2 0 317.408 2.416 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001483584161 1078612081 /nfs/dbraw/zinc/61/20/81/1078612081.db2.gz VXSJBZZCJZUILQ-QZTJIDSGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ccnc1C(C)C ZINC001570542060 1067995835 /nfs/dbraw/zinc/99/58/35/1067995835.db2.gz OCBMJGDHQYWHTF-OAHLLOKOSA-N 2 0 304.438 2.115 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001570799837 1068120968 /nfs/dbraw/zinc/12/09/68/1068120968.db2.gz KKPWBYPIJNXQJQ-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001570813972 1068126337 /nfs/dbraw/zinc/12/63/37/1068126337.db2.gz JTNURODPJMRERF-JKSUJKDBSA-N 2 0 318.465 2.205 20 30 DEEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001571277160 1068208800 /nfs/dbraw/zinc/20/88/00/1068208800.db2.gz KAIGTSDOFJWZOM-OAHLLOKOSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001571503706 1068362192 /nfs/dbraw/zinc/36/21/92/1068362192.db2.gz UUMCILLNHIJJLV-ZHALLVOQSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267298176 1078744796 /nfs/dbraw/zinc/74/47/96/1078744796.db2.gz KPUPKHMEJXXMIB-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001267350386 1078785448 /nfs/dbraw/zinc/78/54/48/1078785448.db2.gz DISMUUGSUYEWLM-SJORKVTESA-N 2 0 301.434 2.104 20 30 DEEDRP C=CC1(CC(=O)NCc2ccccc2C[NH+](CC)CC)C[NH2+]C1 ZINC001574879709 1069284306 /nfs/dbraw/zinc/28/43/06/1069284306.db2.gz JADTZOKBCBGNQV-UHFFFAOYSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC001574893369 1069289548 /nfs/dbraw/zinc/28/95/48/1069289548.db2.gz UXFMCTFAMQCYIJ-LJQANCHMSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001566131873 1072447955 /nfs/dbraw/zinc/44/79/55/1072447955.db2.gz RIONRRLVFVCVTH-SJORKVTESA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001267526533 1078957292 /nfs/dbraw/zinc/95/72/92/1078957292.db2.gz VUCHKJILRWTKMA-SFHVURJKSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267544330 1078973475 /nfs/dbraw/zinc/97/34/75/1078973475.db2.gz KCVREQRADKDAIF-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267550814 1078982424 /nfs/dbraw/zinc/98/24/24/1078982424.db2.gz ZWDCAKQTCSRJIT-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267564263 1078998316 /nfs/dbraw/zinc/99/83/16/1078998316.db2.gz PDPWGDJWNKGHBR-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001483800909 1079129548 /nfs/dbraw/zinc/12/95/48/1079129548.db2.gz FDXRHJNKDABBBF-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246023377 1091689774 /nfs/dbraw/zinc/68/97/74/1091689774.db2.gz RKGBOWZFMYMUKH-YESZJQIVSA-N 2 0 300.487 2.130 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)c1cc2c[nH]ccc-2n1)C1CCCC1 ZINC001484003334 1079237626 /nfs/dbraw/zinc/23/76/26/1079237626.db2.gz SNEQKKAEEVEDIF-KRWDZBQOSA-N 2 0 310.401 2.074 20 30 DEEDRP C#CCC[NH+]1CCC(C)(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001484147726 1079324234 /nfs/dbraw/zinc/32/42/34/1079324234.db2.gz XCAIBQHCRJSJED-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001649985075 1079338934 /nfs/dbraw/zinc/33/89/34/1079338934.db2.gz JQBRXTICPCOSQN-ZDUSSCGKSA-N 2 0 316.232 2.097 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001565872233 1075060839 /nfs/dbraw/zinc/06/08/39/1075060839.db2.gz JNLSEEUTQJXTER-YVSFHVDLSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267666064 1079354637 /nfs/dbraw/zinc/35/46/37/1079354637.db2.gz PCEOUSCFEXQYTC-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001565856279 1075198498 /nfs/dbraw/zinc/19/84/98/1075198498.db2.gz HGFFAAPFYCYEIC-KSZLIROESA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001566715556 1075324799 /nfs/dbraw/zinc/32/47/99/1075324799.db2.gz ZECGGSOLGXURSI-QGZVFWFLSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001566878167 1075371876 /nfs/dbraw/zinc/37/18/76/1075371876.db2.gz NBSVGMBQECXAMI-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001566927420 1075388918 /nfs/dbraw/zinc/38/89/18/1075388918.db2.gz QJUSVXPRFIIANS-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001566953715 1075397399 /nfs/dbraw/zinc/39/73/99/1075397399.db2.gz ILMXRGMTDPQLAL-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001267861051 1079547840 /nfs/dbraw/zinc/54/78/40/1079547840.db2.gz VXQUIRABXPZYCI-APWZRJJASA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001267861053 1079548419 /nfs/dbraw/zinc/54/84/19/1079548419.db2.gz VXQUIRABXPZYCI-QFBILLFUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484398338 1079586513 /nfs/dbraw/zinc/58/65/13/1079586513.db2.gz ZSTLVRKAAAGZAN-BRWVUGGUSA-N 2 0 307.482 2.026 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001484641071 1079700356 /nfs/dbraw/zinc/70/03/56/1079700356.db2.gz NZBWQKOUCXUBFP-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481400932 1079787444 /nfs/dbraw/zinc/78/74/44/1079787444.db2.gz SWZHMBFGYIWNKD-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001485011607 1079916917 /nfs/dbraw/zinc/91/69/17/1079916917.db2.gz RZTIJNLPBTWRFK-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268106512 1080077981 /nfs/dbraw/zinc/07/79/81/1080077981.db2.gz UTFBLYFOHFZLEF-DLBZAZTESA-N 2 0 307.482 2.003 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001268120239 1080089068 /nfs/dbraw/zinc/08/90/68/1080089068.db2.gz MSGLESWXOUZXRT-RCCFBDPRSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001656888920 1080134997 /nfs/dbraw/zinc/13/49/97/1080134997.db2.gz AUFYMXGQZKXZIY-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001656909918 1080138811 /nfs/dbraw/zinc/13/88/11/1080138811.db2.gz SOIHSQYVGVFMFQ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001657082725 1080154105 /nfs/dbraw/zinc/15/41/05/1080154105.db2.gz JPRDHRQLUYDFSP-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001268196848 1080185834 /nfs/dbraw/zinc/18/58/34/1080185834.db2.gz GBVJVUFIRGCPDR-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001658778258 1080218871 /nfs/dbraw/zinc/21/88/71/1080218871.db2.gz UUQKHGOPTQDWIG-QXAKKESOSA-N 2 0 312.461 2.466 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001485457037 1080226127 /nfs/dbraw/zinc/22/61/27/1080226127.db2.gz GUCZOWXZQPUQTF-HNNXBMFYSA-N 2 0 316.449 2.020 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001268269288 1080249438 /nfs/dbraw/zinc/24/94/38/1080249438.db2.gz LUYUBYRKDKHONN-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001485665531 1080353983 /nfs/dbraw/zinc/35/39/83/1080353983.db2.gz PDLBTDFUXVEPHE-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP 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 1080357947 /nfs/dbraw/zinc/35/79/47/1080357947.db2.gz NPBMPJBKFBCROY-KDURUIRLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001485698542 1080382019 /nfs/dbraw/zinc/38/20/19/1080382019.db2.gz RQASYOISQPSJAX-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481742459 1080421323 /nfs/dbraw/zinc/42/13/23/1080421323.db2.gz DOHZRHDBCPKZPA-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001485766824 1080423095 /nfs/dbraw/zinc/42/30/95/1080423095.db2.gz ANDUFYKRBFVNBR-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001661142538 1080447142 /nfs/dbraw/zinc/44/71/42/1080447142.db2.gz KNSPNLCWVYTDIY-INIZCTEOSA-N 2 0 305.466 2.065 20 30 DEEDRP 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 1080482874 /nfs/dbraw/zinc/48/28/74/1080482874.db2.gz KSKWGVDPSIDTMB-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001661782944 1080523254 /nfs/dbraw/zinc/52/32/54/1080523254.db2.gz KCMBAFLNJBFCIN-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036654 1080551883 /nfs/dbraw/zinc/55/18/83/1080551883.db2.gz OMTHKLCVRORWSR-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001662862246 1080669129 /nfs/dbraw/zinc/66/91/29/1080669129.db2.gz KGMODMHRKVFGPI-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001664760043 1080957435 /nfs/dbraw/zinc/95/74/35/1080957435.db2.gz KIUHABHXFJUYGL-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001665731380 1081073204 /nfs/dbraw/zinc/07/32/04/1081073204.db2.gz LFZWVEXMUFAANN-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097282 1081115082 /nfs/dbraw/zinc/11/50/82/1081115082.db2.gz YSHPDURFKUFEHU-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001666829766 1081184783 /nfs/dbraw/zinc/18/47/83/1081184783.db2.gz UBFONYZQBTVCCH-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001667771160 1081288897 /nfs/dbraw/zinc/28/88/97/1081288897.db2.gz PREIWXIOZDCQRD-IRXDYDNUSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001269613596 1081307323 /nfs/dbraw/zinc/30/73/23/1081307323.db2.gz BQMZKBYKCPQJEO-IEBWSBKVSA-N 2 0 319.493 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001668178844 1081324613 /nfs/dbraw/zinc/32/46/13/1081324613.db2.gz NGWHLBVPVYVKFX-CABCVRRESA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001668178845 1081324696 /nfs/dbraw/zinc/32/46/96/1081324696.db2.gz NGWHLBVPVYVKFX-GJZGRUSLSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001670118720 1081497391 /nfs/dbraw/zinc/49/73/91/1081497391.db2.gz XDKGZOUPVKZBGG-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001671598193 1081525441 /nfs/dbraw/zinc/52/54/41/1081525441.db2.gz HQYRRPPPQPJSCJ-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001673175078 1081743616 /nfs/dbraw/zinc/74/36/16/1081743616.db2.gz DDABPFYXBXSSOH-QGZVFWFLSA-N 2 0 317.477 2.045 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]cn2)C[C@@H]1C ZINC001482421384 1081809851 /nfs/dbraw/zinc/80/98/51/1081809851.db2.gz GDPVKFQPIQTGEW-HOCLYGCPSA-N 2 0 304.438 2.135 20 30 DEEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111406890 1081818081 /nfs/dbraw/zinc/81/80/81/1081818081.db2.gz FNOVQQOCNZTZGM-TVFCKZIOSA-N 2 0 319.493 2.406 20 30 DEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001279112581 1081858813 /nfs/dbraw/zinc/85/88/13/1081858813.db2.gz ZHWULNUWAZUUKV-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001482469960 1081944106 /nfs/dbraw/zinc/94/41/06/1081944106.db2.gz FRYYZCVMTIMLNB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001271215302 1081991886 /nfs/dbraw/zinc/99/18/86/1081991886.db2.gz DZSPMXGKUFOCPA-HNNXBMFYSA-N 2 0 303.450 2.374 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001280381721 1081997308 /nfs/dbraw/zinc/99/73/08/1081997308.db2.gz WHFABQHRRBSGSB-IYARVYRRSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001266467990 1082056304 /nfs/dbraw/zinc/05/63/04/1082056304.db2.gz HPJPUBFOPMXZAU-HNNXBMFYSA-N 2 0 304.438 2.083 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001266494799 1082074534 /nfs/dbraw/zinc/07/45/34/1082074534.db2.gz AEAUVAGEQWSQOS-QZTJIDSGSA-N 2 0 315.461 2.446 20 30 DEEDRP CC#CC[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001271772097 1082151014 /nfs/dbraw/zinc/15/10/14/1082151014.db2.gz JYYDVKGTYFQKPP-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001271891156 1082182055 /nfs/dbraw/zinc/18/20/55/1082182055.db2.gz GYYXYVFNHMOILG-KSZLIROESA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001671599515 1082248970 /nfs/dbraw/zinc/24/89/70/1082248970.db2.gz XTKRVYRGKHUXQB-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001266663269 1082257690 /nfs/dbraw/zinc/25/76/90/1082257690.db2.gz NFFCPFWZICKKIY-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001649471855 1082273181 /nfs/dbraw/zinc/27/31/81/1082273181.db2.gz LOCDVPLXYQMRRL-ZWKOTPCHSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724432 1082305396 /nfs/dbraw/zinc/30/53/96/1082305396.db2.gz OERNEGDTGHAWBX-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001496586765 1082305689 /nfs/dbraw/zinc/30/56/89/1082305689.db2.gz LDWTXECVMLAPPN-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001671257820 1082371273 /nfs/dbraw/zinc/37/12/73/1082371273.db2.gz WXOLNATZTCZUFU-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266841892 1082383362 /nfs/dbraw/zinc/38/33/62/1082383362.db2.gz DQZKDGVKLOTILV-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266889006 1082431722 /nfs/dbraw/zinc/43/17/22/1082431722.db2.gz AOCPVEYMPIOXIT-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436724 1083393832 /nfs/dbraw/zinc/39/38/32/1083393832.db2.gz MITFZMPZSRPYTM-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451152 1083406032 /nfs/dbraw/zinc/40/60/32/1083406032.db2.gz PKAUFECMNYEXRA-JFIYKMOQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524107 1083459661 /nfs/dbraw/zinc/45/96/61/1083459661.db2.gz IBCQCCCYCPJNKM-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546939 1083475479 /nfs/dbraw/zinc/47/54/79/1083475479.db2.gz UDIKPBDKIWHAMU-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001277435461 1083967409 /nfs/dbraw/zinc/96/74/09/1083967409.db2.gz OPKIPYYANRSVFM-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001272763957 1083971053 /nfs/dbraw/zinc/97/10/53/1083971053.db2.gz ZPOACRXGVAFYHW-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001272786710 1084053376 /nfs/dbraw/zinc/05/33/76/1084053376.db2.gz UBXRFHOELSALLZ-BRSBDYLESA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001670923084 1084146497 /nfs/dbraw/zinc/14/64/97/1084146497.db2.gz IJXFZGZZHOTCQV-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP CC(C)[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277799186 1084153976 /nfs/dbraw/zinc/15/39/76/1084153976.db2.gz LVPRSZXRRQEJHB-CALCHBBNSA-N 2 0 300.450 2.449 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001491302831 1084223422 /nfs/dbraw/zinc/22/34/22/1084223422.db2.gz ZDWDOZKUOQVPHL-GOEBONIOSA-N 2 0 318.465 2.444 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259910 1084363258 /nfs/dbraw/zinc/36/32/58/1084363258.db2.gz DLDAZCVHTZQLPE-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078695092 1084828275 /nfs/dbraw/zinc/82/82/75/1084828275.db2.gz HOMGEQPSBUDPSY-JKSUJKDBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726793 1084832450 /nfs/dbraw/zinc/83/24/50/1084832450.db2.gz XZNRLONQDIGKKJ-HOTGVXAUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CN1CC[C@]2(CCC[N@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001273038734 1086064602 /nfs/dbraw/zinc/06/46/02/1086064602.db2.gz HUVLVZFXRYEROY-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP Cc1nc(NCCC[NH2+]CCCC[NH3+])c(C#N)c(C)c1Cl ZINC001162289383 1086311277 /nfs/dbraw/zinc/31/12/77/1086311277.db2.gz RHSUEPMZTHXZRU-UHFFFAOYSA-N 2 0 309.845 2.354 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000963158226 1086317769 /nfs/dbraw/zinc/31/77/69/1086317769.db2.gz VDVNKZZDZNOERX-NRXISQOPSA-N 2 0 313.873 2.192 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963433293 1086454311 /nfs/dbraw/zinc/45/43/11/1086454311.db2.gz LQOKYMNTFJFAJW-DAWZGUTISA-N 2 0 319.493 2.242 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000963787579 1086559011 /nfs/dbraw/zinc/55/90/11/1086559011.db2.gz HCDOQANQONNXEQ-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079701213 1088338373 /nfs/dbraw/zinc/33/83/73/1088338373.db2.gz ZJNIIJGVVGMDNY-SOLBZPMBSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828941 1088900104 /nfs/dbraw/zinc/90/01/04/1088900104.db2.gz NJDWOCWFXNDPON-VVLHAWIVSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082559491 1090006870 /nfs/dbraw/zinc/00/68/70/1090006870.db2.gz GVFXIDXVRDOSNT-OIISXLGYSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782301 1090076213 /nfs/dbraw/zinc/07/62/13/1090076213.db2.gz OSFVWFYHTCAIGO-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357037 1090275488 /nfs/dbraw/zinc/27/54/88/1090275488.db2.gz DIHOAOXKFWOLTQ-XMTFNYHQSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405582 1090291495 /nfs/dbraw/zinc/29/14/95/1090291495.db2.gz UNPIPKNWGNGUFT-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001274438206 1091242150 /nfs/dbraw/zinc/24/21/50/1091242150.db2.gz FLYRCGPAHOVOQK-PLNGDYQASA-N 2 0 321.852 2.376 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001274499603 1091272075 /nfs/dbraw/zinc/27/20/75/1091272075.db2.gz WGFWGVSLLLSANU-NWRQEBOHSA-N 2 0 313.873 2.121 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275144331 1091582156 /nfs/dbraw/zinc/58/21/56/1091582156.db2.gz XVLCRUOQSCZICZ-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001275144025 1091582266 /nfs/dbraw/zinc/58/22/66/1091582266.db2.gz TVHATTLXFOWVFE-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCCC[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273495195 1091883288 /nfs/dbraw/zinc/88/32/88/1091883288.db2.gz QCRFULPAAMYFFE-GOSISDBHSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775636 1091929664 /nfs/dbraw/zinc/92/96/64/1091929664.db2.gz NOTPFKBURTZYLV-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001490847674 1091944814 /nfs/dbraw/zinc/94/48/14/1091944814.db2.gz AOPQKIHFHXBEKW-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001273757291 1092034500 /nfs/dbraw/zinc/03/45/00/1092034500.db2.gz YFNPXJQIXMRPSX-QGZVFWFLSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001273807368 1092103279 /nfs/dbraw/zinc/10/32/79/1092103279.db2.gz KNRAAAOIYMFDRA-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490447884 1093362147 /nfs/dbraw/zinc/36/21/47/1093362147.db2.gz JWBYOVNJQHVDHS-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001490606029 1093444473 /nfs/dbraw/zinc/44/44/73/1093444473.db2.gz PKQOUIPUNXEPQS-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001278004940 1138406607 /nfs/dbraw/zinc/40/66/07/1138406607.db2.gz HVIGIHBDESYENI-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957637 1138924822 /nfs/dbraw/zinc/92/48/22/1138924822.db2.gz SIOCCKCMHVITTC-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001318982833 1140485062 /nfs/dbraw/zinc/48/50/62/1140485062.db2.gz BECFUJAOYCERDK-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001319038814 1140493831 /nfs/dbraw/zinc/49/38/31/1140493831.db2.gz ULKNKXVPZAKDJW-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001319779490 1140713518 /nfs/dbraw/zinc/71/35/18/1140713518.db2.gz UWKLSYDPYMMUHM-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001245992594 1140843062 /nfs/dbraw/zinc/84/30/62/1140843062.db2.gz ZCKQLGCNIIGSNS-IRXDYDNUSA-N 2 0 300.487 2.192 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001245992597 1140843224 /nfs/dbraw/zinc/84/32/24/1140843224.db2.gz ZCKQLGCNIIGSNS-SJORKVTESA-N 2 0 300.487 2.192 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246047029 1140852722 /nfs/dbraw/zinc/85/27/22/1140852722.db2.gz BYIAZBDQJUEEFJ-ZWKOTPCHSA-N 2 0 311.514 2.205 20 30 DEEDRP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246360228 1140887974 /nfs/dbraw/zinc/88/79/74/1140887974.db2.gz GOIWLUTUEWYBER-HNAYVOBHSA-N 2 0 312.461 2.253 20 30 DEEDRP C[C@H]1CC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]1 ZINC001246365437 1140888751 /nfs/dbraw/zinc/88/87/51/1140888751.db2.gz XBPTZJMVFZDBNQ-KXBFYZLASA-N 2 0 312.461 2.253 20 30 DEEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001320888869 1140971726 /nfs/dbraw/zinc/97/17/26/1140971726.db2.gz MROJPWTUABWHSI-GOSISDBHSA-N 2 0 315.461 2.141 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001278460349 1141026215 /nfs/dbraw/zinc/02/62/15/1141026215.db2.gz RGWOMFZYWBXEDJ-HKUYNNGSSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246730685 1141047108 /nfs/dbraw/zinc/04/71/08/1141047108.db2.gz AEHLSSKYPSUMFG-NUJGCVRESA-N 2 0 305.466 2.160 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(C#N)c1F ZINC001249687456 1142008734 /nfs/dbraw/zinc/00/87/34/1142008734.db2.gz FGDYXAPVZPSFKW-UHFFFAOYSA-N 2 0 320.456 2.403 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001324442343 1142077452 /nfs/dbraw/zinc/07/74/52/1142077452.db2.gz YUAUAOFGNUEYNK-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCC1 ZINC001324470877 1142084014 /nfs/dbraw/zinc/08/40/14/1142084014.db2.gz SUJBEHNOFNLNPD-OKZBNKHCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001252492373 1142733526 /nfs/dbraw/zinc/73/35/26/1142733526.db2.gz YCYHDUZNBZCINA-SFHVURJKSA-N 2 0 310.482 2.184 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001252495032 1142735411 /nfs/dbraw/zinc/73/54/11/1142735411.db2.gz JJVJDIPNIABASX-GOSISDBHSA-N 2 0 310.482 2.042 20 30 DEEDRP COc1cc[nH+]c(N([C@@H]2CC[C@H](C#N)C2)C2CC[NH2+]CC2)c1 ZINC001254676411 1143310925 /nfs/dbraw/zinc/31/09/25/1143310925.db2.gz LJTBIIBDHMZMDT-DZGCQCFKSA-N 2 0 300.406 2.341 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001340775103 1143439520 /nfs/dbraw/zinc/43/95/20/1143439520.db2.gz ZJDDKJOLXZAUHK-SFHVURJKSA-N 2 0 315.461 2.451 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(OC)CC2)CC1 ZINC001255465767 1143648795 /nfs/dbraw/zinc/64/87/95/1143648795.db2.gz UMOQRTZMGYUAKC-UHFFFAOYSA-N 2 0 321.509 2.236 20 30 DEEDRP C=CCC[C@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001278929865 1143842856 /nfs/dbraw/zinc/84/28/56/1143842856.db2.gz NGMYFUANXVNIEF-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC001263093435 1144355028 /nfs/dbraw/zinc/35/50/28/1144355028.db2.gz AQHGZKVMIZBWHX-OAHLLOKOSA-N 2 0 319.453 2.162 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001263876646 1144418534 /nfs/dbraw/zinc/41/85/34/1144418534.db2.gz LNKUVSGCRQBEAX-QBPKDAKJSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001265026022 1144627551 /nfs/dbraw/zinc/62/75/51/1144627551.db2.gz QBQIAZJOCODSJB-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+](CC)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001265120878 1144648686 /nfs/dbraw/zinc/64/86/86/1144648686.db2.gz BZJZJGXRTNTTKL-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001265197433 1144664347 /nfs/dbraw/zinc/66/43/47/1144664347.db2.gz QJQALIDNUPSEEH-QGZVFWFLSA-N 2 0 307.482 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001265372386 1144699257 /nfs/dbraw/zinc/69/92/57/1144699257.db2.gz ICWSKGGCUQKOCX-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001265560422 1144712324 /nfs/dbraw/zinc/71/23/24/1144712324.db2.gz QNZQRVRJJHPROB-OIISXLGYSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266177572 1144811851 /nfs/dbraw/zinc/81/18/51/1144811851.db2.gz HPDXHLPWLINEFJ-NVXWUHKLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001279402706 1144821968 /nfs/dbraw/zinc/82/19/68/1144821968.db2.gz DMBIDAACLYRJHN-ZACQAIPSSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001280308901 1144835358 /nfs/dbraw/zinc/83/53/58/1144835358.db2.gz WNHBTVHYWUWQET-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001280378270 1144837384 /nfs/dbraw/zinc/83/73/84/1144837384.db2.gz GJKHFAGNWNFILM-QAQDUYKDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281963954 1144924240 /nfs/dbraw/zinc/92/42/40/1144924240.db2.gz ANEOBEMCBNAWTO-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC/C=C\CC)CC1 ZINC001282497415 1145080224 /nfs/dbraw/zinc/08/02/24/1145080224.db2.gz OFSORSUHFUMLFH-ZPUOCTKUSA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001282960076 1145214679 /nfs/dbraw/zinc/21/46/79/1145214679.db2.gz XRXNJSNUNSHQAZ-OKZBNKHCSA-N 2 0 319.493 2.265 20 30 DEEDRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001364634634 1145392758 /nfs/dbraw/zinc/39/27/58/1145392758.db2.gz JCCDTGFICPIGAH-VDGAXYAQSA-N 2 0 324.472 2.457 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001284620159 1145880276 /nfs/dbraw/zinc/88/02/76/1145880276.db2.gz XPTMOPXEDQKINP-IRXDYDNUSA-N 2 0 321.509 2.252 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491966558 1147023593 /nfs/dbraw/zinc/02/35/93/1147023593.db2.gz GGIVOZWUNTVSSI-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001317199428 1147272702 /nfs/dbraw/zinc/27/27/02/1147272702.db2.gz KSYHMTBHHVDGDE-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001316937247 1147573687 /nfs/dbraw/zinc/57/36/87/1147573687.db2.gz LQNHGGHSLNNOOA-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001316802198 1147602114 /nfs/dbraw/zinc/60/21/14/1147602114.db2.gz HSRIPRZEOWYHEG-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001316937150 1147634607 /nfs/dbraw/zinc/63/46/07/1147634607.db2.gz JRMRQWCDTCOICY-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001316954712 1147638809 /nfs/dbraw/zinc/63/88/09/1147638809.db2.gz OGELXPUGUIUPGA-AEFFLSMTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317323264 1147690538 /nfs/dbraw/zinc/69/05/38/1147690538.db2.gz UPIOPKUSFHFFHD-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317406418 1147702219 /nfs/dbraw/zinc/70/22/19/1147702219.db2.gz SETGAIVKHBMDSP-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001324896803 1147856406 /nfs/dbraw/zinc/85/64/06/1147856406.db2.gz ABIWRFOVDHIFEH-IBGZPJMESA-N 2 0 319.493 2.267 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001325655099 1147976806 /nfs/dbraw/zinc/97/68/06/1147976806.db2.gz AYUPUHIPWDBSDV-KZNAEPCWSA-N 2 0 319.493 2.006 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000424140079 230600645 /nfs/dbraw/zinc/60/06/45/230600645.db2.gz AZDUBLSBOBTAFA-QGZVFWFLSA-N 2 0 314.433 2.285 20 30 DEEDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000194262495 186274105 /nfs/dbraw/zinc/27/41/05/186274105.db2.gz BNWMXQNIPHGBQO-QFBILLFUSA-N 2 0 314.477 2.481 20 30 DEEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029689 355461444 /nfs/dbraw/zinc/46/14/44/355461444.db2.gz MUQRBZQLRJVJPC-CQSZACIVSA-N 2 0 304.438 2.002 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)nc1 ZINC000591570801 357736653 /nfs/dbraw/zinc/73/66/53/357736653.db2.gz PNGSHMUEUBTJHF-IRXDYDNUSA-N 2 0 313.449 2.172 20 30 DEEDRP C[C@H]1CC[NH2+]C[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322335 358054241 /nfs/dbraw/zinc/05/42/41/358054241.db2.gz MDVBLVIKIVAQJV-HNAYVOBHSA-N 2 0 312.461 2.110 20 30 DEEDRP CCCn1ccnc1CCC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598611642 359260302 /nfs/dbraw/zinc/26/03/02/359260302.db2.gz VHPLWIZSLRFOGX-OAHLLOKOSA-N 2 0 306.454 2.458 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](C)CCC#N)CC2)CC1 ZINC000602486058 360402745 /nfs/dbraw/zinc/40/27/45/360402745.db2.gz UUBIRZBOJBRJSL-KRWDZBQOSA-N 2 0 306.498 2.417 20 30 DEEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442632724 238055403 /nfs/dbraw/zinc/05/54/03/238055403.db2.gz AGSULYLIUTZGKL-RTBURBONSA-N 2 0 312.461 2.086 20 30 DEEDRP C=CCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000267407781 206043320 /nfs/dbraw/zinc/04/33/20/206043320.db2.gz SIXGSBRXOKACQU-UHFFFAOYSA-N 2 0 303.450 2.325 20 30 DEEDRP C=CC[C@H](CO)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000680495974 542013034 /nfs/dbraw/zinc/01/30/34/542013034.db2.gz RFOASXZBPUWSFL-CQSZACIVSA-N 2 0 323.868 2.118 20 30 DEEDRP C=CCN1CC[C@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000685000873 542697503 /nfs/dbraw/zinc/69/75/03/542697503.db2.gz USCQNTITHKVGOB-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000564722704 292106858 /nfs/dbraw/zinc/10/68/58/292106858.db2.gz ZMUJFBZZKXYAOJ-UHFFFAOYSA-N 2 0 324.472 2.422 20 30 DEEDRP CC[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158295442 402303935 /nfs/dbraw/zinc/30/39/35/402303935.db2.gz UAGOOGYDPLMZFH-SWLSCSKDSA-N 2 0 323.510 2.235 20 30 DEEDRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176947248 402353502 /nfs/dbraw/zinc/35/35/02/402353502.db2.gz NOFWUCFMYRRRDN-UHFFFAOYSA-N 2 0 306.479 2.127 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(CC)CCC[NH+]2CCCC2)CC1 ZINC000190166266 402580680 /nfs/dbraw/zinc/58/06/80/402580680.db2.gz NGJKPJWIFUOZGG-UHFFFAOYSA-N 2 0 322.497 2.154 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000270360940 403183686 /nfs/dbraw/zinc/18/36/86/403183686.db2.gz XOJUVQXANMMIJD-IAGOWNOFSA-N 2 0 307.482 2.191 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)Cc1nccn1CC(F)(F)F ZINC000411640436 403921447 /nfs/dbraw/zinc/92/14/47/403921447.db2.gz KNZNOBNFMBJFFO-UHFFFAOYSA-N 2 0 304.360 2.385 20 30 DEEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000329800390 404456724 /nfs/dbraw/zinc/45/67/24/404456724.db2.gz INESAEMIGJZIPQ-DOMZBBRYSA-N 2 0 322.497 2.282 20 30 DEEDRP C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414692535 404709786 /nfs/dbraw/zinc/70/97/86/404709786.db2.gz QKNJTJIOIJLOPH-HNNXBMFYSA-N 2 0 319.424 2.011 20 30 DEEDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000353537171 404860023 /nfs/dbraw/zinc/86/00/23/404860023.db2.gz ZRHMFTOWUJJJEV-UHFFFAOYSA-N 2 0 305.397 2.240 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)C(C)C ZINC000417072863 405027209 /nfs/dbraw/zinc/02/72/09/405027209.db2.gz XOODZKWYYVHTPU-INIZCTEOSA-N 2 0 322.497 2.126 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417538592 405090300 /nfs/dbraw/zinc/09/03/00/405090300.db2.gz NKOZTLSJWPXQLX-INIZCTEOSA-N 2 0 322.497 2.104 20 30 DEEDRP CC(C)[C@@H]([NH3+])CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423263316 405741923 /nfs/dbraw/zinc/74/19/23/405741923.db2.gz AWMHRCMDVVZNPD-SFHVURJKSA-N 2 0 300.450 2.096 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423495158 405826189 /nfs/dbraw/zinc/82/61/89/405826189.db2.gz DYJMKSVVNZMSPO-HKUYNNGSSA-N 2 0 312.461 2.240 20 30 DEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000569803960 406304607 /nfs/dbraw/zinc/30/46/07/406304607.db2.gz GTCPLBAIUWYVEC-KBAYOESNSA-N 2 0 318.461 2.227 20 30 DEEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563853 424834091 /nfs/dbraw/zinc/83/40/91/424834091.db2.gz AJELFCCTIALPTC-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001423327149 1173242531 /nfs/dbraw/zinc/24/25/31/1173242531.db2.gz RXEJFPLCFRUOGV-KGLIPLIRSA-N 2 0 315.889 2.296 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccnc1)C(C)C ZINC000267595747 276378110 /nfs/dbraw/zinc/37/81/10/276378110.db2.gz VZEDGSNCWQRILI-DLBZAZTESA-N 2 0 317.481 2.210 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)C(C)C ZINC000417072797 276891341 /nfs/dbraw/zinc/89/13/41/276891341.db2.gz XHLUIINPPKBLNH-BRWVUGGUSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C)C(C)C ZINC000353454967 277851935 /nfs/dbraw/zinc/85/19/35/277851935.db2.gz WXFLYVXKBAOYQG-KURKYZTESA-N 2 0 321.509 2.435 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000192787225 289882307 /nfs/dbraw/zinc/88/23/07/289882307.db2.gz MDJKLTUUSMKLQK-WBVHZDCISA-N 2 0 304.482 2.217 20 30 DEEDRP C=C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000534799816 334337448 /nfs/dbraw/zinc/33/74/48/334337448.db2.gz MVUNWJDLRDPQRL-QGZVFWFLSA-N 2 0 317.477 2.298 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001357582477 1152314927 /nfs/dbraw/zinc/31/49/27/1152314927.db2.gz WTHVJRQTTYAEMX-HYVNUMGLSA-N 2 0 305.466 2.145 20 30 DEEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001329935710 1149018942 /nfs/dbraw/zinc/01/89/42/1149018942.db2.gz GKZAGPPYTYTMER-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001401719624 1162090543 /nfs/dbraw/zinc/09/05/43/1162090543.db2.gz AFIJLFWZVFGPRI-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc(C#N)c1 ZINC000337282370 522746747 /nfs/dbraw/zinc/74/67/47/522746747.db2.gz XJNRESDVYMRUPG-UHFFFAOYSA-N 2 0 314.433 2.305 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261749002 526370530 /nfs/dbraw/zinc/37/05/30/526370530.db2.gz LOYMJTKRTXRDHX-ARFHVFGLSA-N 2 0 324.513 2.085 20 30 DEEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N(C)Cc1cccn1C ZINC000262000708 526374732 /nfs/dbraw/zinc/37/47/32/526374732.db2.gz UIPUEFVASMKJPG-HOTGVXAUSA-N 2 0 319.497 2.295 20 30 DEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NCC(C)(C)c1cccs1 ZINC000262487770 526377297 /nfs/dbraw/zinc/37/72/97/526377297.db2.gz ITLOJHRUOXQTLL-CYBMUJFWSA-N 2 0 308.495 2.142 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447950093 526434173 /nfs/dbraw/zinc/43/41/73/526434173.db2.gz FKAKHRWWBLMPFL-INIZCTEOSA-N 2 0 322.497 2.056 20 30 DEEDRP C#C[C@@H](NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000262065483 527193553 /nfs/dbraw/zinc/19/35/53/527193553.db2.gz CHLKXRUDOJJOKC-GOSISDBHSA-N 2 0 312.461 2.213 20 30 DEEDRP C#Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000377619876 527433405 /nfs/dbraw/zinc/43/34/05/527433405.db2.gz CZZIWNGBMRVCGK-UHFFFAOYSA-N 2 0 311.473 2.127 20 30 DEEDRP CCNC(NCc1ccc(OCCC[NH+](C)C)cc1)=[NH+]CC ZINC000264254170 528006814 /nfs/dbraw/zinc/00/68/14/528006814.db2.gz IAGNJPVZNUIQDD-UHFFFAOYSA-N 2 0 306.454 2.092 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)C1 ZINC000264078802 528256007 /nfs/dbraw/zinc/25/60/07/528256007.db2.gz GPRMUNFHYZPCML-CYBMUJFWSA-N 2 0 320.437 2.162 20 30 DEEDRP CC[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCc2ccccc21 ZINC000263234000 528812606 /nfs/dbraw/zinc/81/26/06/528812606.db2.gz IXZMIOPDEAWCSD-QGZVFWFLSA-N 2 0 300.450 2.355 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000267436129 529073775 /nfs/dbraw/zinc/07/37/75/529073775.db2.gz NUWWQIIYHHYSKD-UONOGXRCSA-N 2 0 308.495 2.315 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1SC ZINC000285161813 529100100 /nfs/dbraw/zinc/10/01/00/529100100.db2.gz SOJSLLFPXJZBEC-LBPRGKRZSA-N 2 0 324.469 2.436 20 30 DEEDRP CC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262322482 529349254 /nfs/dbraw/zinc/34/92/54/529349254.db2.gz RUJMZNRVDURIEA-CQSZACIVSA-N 2 0 312.527 2.441 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632932 625364780 /nfs/dbraw/zinc/36/47/80/625364780.db2.gz RXEXBWROXDAGKX-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023762228 625428303 /nfs/dbraw/zinc/42/83/03/625428303.db2.gz UQWOFJDKJKQSNF-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684972 625439553 /nfs/dbraw/zinc/43/95/53/625439553.db2.gz KNWYJWONILLIJM-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468322 625462446 /nfs/dbraw/zinc/46/24/46/625462446.db2.gz INZYKDSQECHNBM-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436721 624038041 /nfs/dbraw/zinc/03/80/41/624038041.db2.gz MBRFCZJAIXZVLD-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926344877 624771250 /nfs/dbraw/zinc/77/12/50/624771250.db2.gz ZFJRPQZQKDZRMS-AJYUKVHDSA-N 2 0 308.466 2.199 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027692365 634446611 /nfs/dbraw/zinc/44/66/11/634446611.db2.gz GUMNMOANBSCKLZ-QGZVFWFLSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501654 625823829 /nfs/dbraw/zinc/82/38/29/625823829.db2.gz HDBYWWXSJIWXSO-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024522062 625835839 /nfs/dbraw/zinc/83/58/39/625835839.db2.gz YTALVLSKTNRUDE-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999203546 634515463 /nfs/dbraw/zinc/51/54/63/634515463.db2.gz BYFRNFZEWPQOEK-QLFBSQMISA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999350901 634569710 /nfs/dbraw/zinc/56/97/10/634569710.db2.gz CKHULEDUWXGAOB-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000261743 634826603 /nfs/dbraw/zinc/82/66/03/634826603.db2.gz UJLCOSGWCIPMMS-RDJZCZTQSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024691717 632927514 /nfs/dbraw/zinc/92/75/14/632927514.db2.gz AAPHSAUWXQPTJT-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995921866 633140884 /nfs/dbraw/zinc/14/08/84/633140884.db2.gz ZAOYERYOBNODGQ-CQSZACIVSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974577858 633156336 /nfs/dbraw/zinc/15/63/36/633156336.db2.gz OFHDHZKPFOBONT-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974779746 633301595 /nfs/dbraw/zinc/30/15/95/633301595.db2.gz YOQWZUNKHOUIFU-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000921519455 633580138 /nfs/dbraw/zinc/58/01/38/633580138.db2.gz NPNLOLVGQBLYIW-UHFFFAOYSA-N 2 0 314.477 2.291 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997179479 633665440 /nfs/dbraw/zinc/66/54/40/633665440.db2.gz BAZNPTLCIRRYAH-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027442130 633795397 /nfs/dbraw/zinc/79/53/97/633795397.db2.gz BCWWTRZOXWJJKU-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477226 633859429 /nfs/dbraw/zinc/85/94/29/633859429.db2.gz CTZDVKUDUUQGMI-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027545751 634071385 /nfs/dbraw/zinc/07/13/85/634071385.db2.gz FGECYBJIJLKQMQ-MRXNPFEDSA-N 2 0 319.449 2.454 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997951763 634073319 /nfs/dbraw/zinc/07/33/19/634073319.db2.gz ZSOCWYRHGONGPP-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998018589 634115048 /nfs/dbraw/zinc/11/50/48/634115048.db2.gz VUJAZCLTFMSLDC-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998187180 634163406 /nfs/dbraw/zinc/16/34/06/634163406.db2.gz DSCIQBBMSIRNRK-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602071 634255944 /nfs/dbraw/zinc/25/59/44/634255944.db2.gz KRCCBLYJKWBQCF-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980187062 634884003 /nfs/dbraw/zinc/88/40/03/634884003.db2.gz QFPFZLQERNPOEY-KSZLIROESA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925773465 635007871 /nfs/dbraw/zinc/00/78/71/635007871.db2.gz YMYMVKIFYQKFQC-QGPMSJSTSA-N 2 0 302.418 2.159 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001000368072 635156794 /nfs/dbraw/zinc/15/67/94/635156794.db2.gz DJPOJFKQCVEYLC-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC000981197804 635357206 /nfs/dbraw/zinc/35/72/06/635357206.db2.gz PIUCNIBMPVKMID-HNNXBMFYSA-N 2 0 304.438 2.117 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001001412046 635491336 /nfs/dbraw/zinc/49/13/36/635491336.db2.gz HCAARQFBAKZEKS-SFHVURJKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001001473366 635504208 /nfs/dbraw/zinc/50/42/08/635504208.db2.gz JGZVQOGFFJZZKV-SFHVURJKSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000981932949 635736946 /nfs/dbraw/zinc/73/69/46/635736946.db2.gz GACMQOREXQFFLE-HNNXBMFYSA-N 2 0 316.449 2.330 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081725 635863300 /nfs/dbraw/zinc/86/33/00/635863300.db2.gz XUNFAOHGAYCAMR-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160966 635893630 /nfs/dbraw/zinc/89/36/30/635893630.db2.gz IASPTOLTNXDBQU-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982220961 635911906 /nfs/dbraw/zinc/91/19/06/635911906.db2.gz DIFOCZWYZTUDHT-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235117 635936916 /nfs/dbraw/zinc/93/69/16/635936916.db2.gz QLEJXBCYMDVJRU-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574479 635940699 /nfs/dbraw/zinc/94/06/99/635940699.db2.gz FQXSVJMCSVTBGB-JKSUJKDBSA-N 2 0 300.450 2.105 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982308448 635961423 /nfs/dbraw/zinc/96/14/23/635961423.db2.gz ZGEPZSFPGLZZDA-QRQLOZEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1 ZINC000982374926 635998923 /nfs/dbraw/zinc/99/89/23/635998923.db2.gz WHHJUDPKYPAGDK-KDURUIRLSA-N 2 0 324.428 2.304 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001004586460 636494740 /nfs/dbraw/zinc/49/47/40/636494740.db2.gz TUEOYGXXVGTWIC-INIZCTEOSA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617124 636503797 /nfs/dbraw/zinc/50/37/97/636503797.db2.gz OSGXXQQAMBQQEW-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028646973 636543632 /nfs/dbraw/zinc/54/36/32/636543632.db2.gz CAEJBVAZNUUYQJ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779192 636646550 /nfs/dbraw/zinc/64/65/50/636646550.db2.gz JJVVVGGKSNIHFQ-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028767270 636719345 /nfs/dbraw/zinc/71/93/45/636719345.db2.gz MSXNNTLCVVYRGJ-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503207 636752853 /nfs/dbraw/zinc/75/28/53/636752853.db2.gz IUPLPZJZQKWHPG-QGZVFWFLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001005661062 636805960 /nfs/dbraw/zinc/80/59/60/636805960.db2.gz QCRNLJJTGTYZDC-UHFFFAOYSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946901739 637184265 /nfs/dbraw/zinc/18/42/65/637184265.db2.gz DMYIGFFAHRYVAZ-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895098360 637554115 /nfs/dbraw/zinc/55/41/15/637554115.db2.gz JXDDMTDYRNSUMI-YTQUADARSA-N 2 0 300.446 2.261 20 30 DEEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000263182244 640103362 /nfs/dbraw/zinc/10/33/62/640103362.db2.gz UJNPPZQWUMWUKG-OAHLLOKOSA-N 2 0 316.449 2.289 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989190644 640748571 /nfs/dbraw/zinc/74/85/71/640748571.db2.gz WTSYCVUJQCRVJC-TZMCWYRMSA-N 2 0 318.808 2.279 20 30 DEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779224 643459285 /nfs/dbraw/zinc/45/92/85/643459285.db2.gz WRAYZJKTHKSNMB-GOSISDBHSA-N 2 0 313.445 2.191 20 30 DEEDRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000905534978 643935417 /nfs/dbraw/zinc/93/54/17/643935417.db2.gz XATWURJGWRVFPZ-AQFXKWCLSA-N 2 0 305.466 2.428 20 30 DEEDRP C#Cc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000809727526 646268796 /nfs/dbraw/zinc/26/87/96/646268796.db2.gz LZNNLHONRQVVKC-UHFFFAOYSA-N 2 0 301.478 2.373 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000992710805 647193692 /nfs/dbraw/zinc/19/36/92/647193692.db2.gz JUSKTUSCPKNYQA-BRWVUGGUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC000992859040 647308528 /nfs/dbraw/zinc/30/85/28/647308528.db2.gz LXZXRRCUXWCEEW-KZNAEPCWSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000817944098 647389697 /nfs/dbraw/zinc/38/96/97/647389697.db2.gz XJIXAHQFERHWDX-OAHLLOKOSA-N 2 0 323.868 2.374 20 30 DEEDRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000818971112 647553372 /nfs/dbraw/zinc/55/33/72/647553372.db2.gz YEWZRLOAXDGPRZ-MAUKXSAKSA-N 2 0 301.434 2.303 20 30 DEEDRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819043254 647571079 /nfs/dbraw/zinc/57/10/79/647571079.db2.gz QTRGZAZUCMFXMU-GOSISDBHSA-N 2 0 301.434 2.446 20 30 DEEDRP C[NH+](C)CCOc1ccc(C=NNCC[NH+]2CCCCC2)cc1 ZINC000915975671 647823489 /nfs/dbraw/zinc/82/34/89/647823489.db2.gz VPSODSCOYRLXBB-UHFFFAOYSA-N 2 0 318.465 2.036 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cnccc2N(C)C)[C@@H]1C ZINC000994273233 647892106 /nfs/dbraw/zinc/89/21/06/647892106.db2.gz ZDROFMUPQBLGDV-HOCLYGCPSA-N 2 0 316.449 2.306 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)CC1 ZINC000917141821 647975814 /nfs/dbraw/zinc/97/58/14/647975814.db2.gz KJVCZHNOCDVWAI-QGZVFWFLSA-N 2 0 322.497 2.009 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785078 648941215 /nfs/dbraw/zinc/94/12/15/648941215.db2.gz HBFGFMLNZGVSJO-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945258 648976007 /nfs/dbraw/zinc/97/60/07/648976007.db2.gz ZKIJFZMKNYWUGW-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027309 648988567 /nfs/dbraw/zinc/98/85/67/648988567.db2.gz VFKUNFJZYAWHGB-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203907 649182988 /nfs/dbraw/zinc/18/29/88/649182988.db2.gz LIYNYXLTKJWPOA-GUYCJALGSA-N 2 0 312.417 2.269 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000948426452 649193272 /nfs/dbraw/zinc/19/32/72/649193272.db2.gz YERTXDKURFBRKS-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028578 649600066 /nfs/dbraw/zinc/60/00/66/649600066.db2.gz JTYLEOXMSVDVAT-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP CC[NH+](CC)[C@H](CNC(NC1CC1)=[NH+]C)Cc1ccccc1 ZINC000848986715 651571941 /nfs/dbraw/zinc/57/19/41/651571941.db2.gz WKYFPDXJUOBZGC-KRWDZBQOSA-N 2 0 302.466 2.267 20 30 DEEDRP C#CCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856583885 651954379 /nfs/dbraw/zinc/95/43/79/651954379.db2.gz BCPDFFGYGGOABM-SFHVURJKSA-N 2 0 301.434 2.400 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054099461 693843911 /nfs/dbraw/zinc/84/39/11/693843911.db2.gz IWAKHCQZUIJUCE-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145483 693861819 /nfs/dbraw/zinc/86/18/19/693861819.db2.gz QRLGNRWDMBLVFH-IEBWSBKVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054153606 693864968 /nfs/dbraw/zinc/86/49/68/693864968.db2.gz UXZQHTQXCQCWAC-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054227125 693891021 /nfs/dbraw/zinc/89/10/21/693891021.db2.gz DTGDTKDKWYUESX-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001054238935 693894552 /nfs/dbraw/zinc/89/45/52/693894552.db2.gz BZMUJWNQBXYFJW-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCSCC1)CC(C)C ZINC000303769780 685233410 /nfs/dbraw/zinc/23/34/10/685233410.db2.gz BDIJEEPIWYDGGO-AWEZNQCLSA-N 2 0 300.516 2.106 20 30 DEEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCCCC1 ZINC000303775672 685234710 /nfs/dbraw/zinc/23/47/10/685234710.db2.gz GWWYWEKFUWWXQE-OAHLLOKOSA-N 2 0 312.527 2.251 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001015978276 687489242 /nfs/dbraw/zinc/48/92/42/687489242.db2.gz YNVNLJIMDJYUJC-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016794314 687704589 /nfs/dbraw/zinc/70/45/89/687704589.db2.gz VDRHPNBMBJONNY-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017767110 687955859 /nfs/dbraw/zinc/95/58/59/687955859.db2.gz HHWPXLXYOSUYMX-KSZLIROESA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001032118040 689066180 /nfs/dbraw/zinc/06/61/80/689066180.db2.gz QEKOHWONAHFEML-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032446134 689153454 /nfs/dbraw/zinc/15/34/54/689153454.db2.gz WAUKOAWYUHKQNG-OKZBNKHCSA-N 2 0 317.477 2.255 20 30 DEEDRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC[NH2+]1 ZINC000873221445 689186648 /nfs/dbraw/zinc/18/66/48/689186648.db2.gz KMHQSPBJEPYFLQ-CABCVRRESA-N 2 0 316.424 2.207 20 30 DEEDRP C=CCOc1ccc(C[NH2+]C2(CCOC)CC[NH2+]CC2)cc1 ZINC000873224211 689187428 /nfs/dbraw/zinc/18/74/28/689187428.db2.gz ZMWFGGQNRSECHL-UHFFFAOYSA-N 2 0 304.434 2.500 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801585 689265073 /nfs/dbraw/zinc/26/50/73/689265073.db2.gz FKYMCJWXJDAXCS-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033084139 689381135 /nfs/dbraw/zinc/38/11/35/689381135.db2.gz WZNWSRDGFGNYRY-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033084140 689381604 /nfs/dbraw/zinc/38/16/04/689381604.db2.gz WZNWSRDGFGNYRY-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144468 689404130 /nfs/dbraw/zinc/40/41/30/689404130.db2.gz XWDQQTJJYYEHHB-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223691 689429888 /nfs/dbraw/zinc/42/98/88/689429888.db2.gz TVTZVYYKIYRXCU-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223624 689430100 /nfs/dbraw/zinc/43/01/00/689430100.db2.gz RUCWLFIEKKRMNO-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033934985 689666620 /nfs/dbraw/zinc/66/66/20/689666620.db2.gz OQBIHTQCRQAOPE-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290950 689797901 /nfs/dbraw/zinc/79/79/01/689797901.db2.gz KWXNFKYDSJOQMD-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034369789 689826330 /nfs/dbraw/zinc/82/63/30/689826330.db2.gz VFDWHKWNHMTMTJ-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034436713 689849951 /nfs/dbraw/zinc/84/99/51/689849951.db2.gz BETULQFOZQIIIK-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034538246 689891188 /nfs/dbraw/zinc/89/11/88/689891188.db2.gz KBZWERBIDWVKDA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000876709262 689911655 /nfs/dbraw/zinc/91/16/55/689911655.db2.gz NHGIACFLTFNXJQ-JKSUJKDBSA-N 2 0 323.868 2.438 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000876723783 689916148 /nfs/dbraw/zinc/91/61/48/689916148.db2.gz HIVPITZFZFYFGH-CQSZACIVSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001034659456 689921056 /nfs/dbraw/zinc/92/10/56/689921056.db2.gz VAJFLWLZSIPFAN-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001034733464 689936483 /nfs/dbraw/zinc/93/64/83/689936483.db2.gz COEBGRORLSIJFT-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035765460 690170540 /nfs/dbraw/zinc/17/05/40/690170540.db2.gz AKSGUDAUBSTFAJ-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001036084283 690256172 /nfs/dbraw/zinc/25/61/72/690256172.db2.gz PSDCVWXVRRTLMD-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878368669 690388914 /nfs/dbraw/zinc/38/89/14/690388914.db2.gz MLFUGOCUTUTGPG-GOSISDBHSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036763019 690463610 /nfs/dbraw/zinc/46/36/10/690463610.db2.gz UIMCAQHSZTYEJR-AEFFLSMTSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904369 690522349 /nfs/dbraw/zinc/52/23/49/690522349.db2.gz QXBBLXQHBNTIFL-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037925087 690641722 /nfs/dbraw/zinc/64/17/22/690641722.db2.gz JYVGBQLCMHQSCJ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037929146 690642684 /nfs/dbraw/zinc/64/26/84/690642684.db2.gz GJKIRTPXYDZGQJ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038343257 690788989 /nfs/dbraw/zinc/78/89/89/690788989.db2.gz YOIYEDDKBLVAGI-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038905751 690962220 /nfs/dbraw/zinc/96/22/20/690962220.db2.gz QZTQGCZVLOFLEQ-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039116095 691024205 /nfs/dbraw/zinc/02/42/05/691024205.db2.gz QLYFZTQBXNSLQD-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039136675 691030947 /nfs/dbraw/zinc/03/09/47/691030947.db2.gz NGYKCYSGTBCILK-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174423 691039848 /nfs/dbraw/zinc/03/98/48/691039848.db2.gz VKVZXVHJTXXJQU-FUHWJXTLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039216252 691057229 /nfs/dbraw/zinc/05/72/29/691057229.db2.gz ZATXDFKPFSPTJO-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224226 691060302 /nfs/dbraw/zinc/06/03/02/691060302.db2.gz DPODJPWFCBHANA-SJORKVTESA-N 2 0 316.449 2.162 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001039297903 691076659 /nfs/dbraw/zinc/07/66/59/691076659.db2.gz DCGDDBMGDPQMHY-OOKSDGMUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039343247 691085610 /nfs/dbraw/zinc/08/56/10/691085610.db2.gz MXSANCXBYUSBKK-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039434170 691104993 /nfs/dbraw/zinc/10/49/93/691104993.db2.gz BURQUXHJJLGVBZ-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039438423 691106325 /nfs/dbraw/zinc/10/63/25/691106325.db2.gz WDDKUPKPEMAIFN-IKGGRYGDSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395452 691241931 /nfs/dbraw/zinc/24/19/31/691241931.db2.gz PYINEJARSARNSX-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492406 691255557 /nfs/dbraw/zinc/25/55/57/691255557.db2.gz AGOKTNLFFDEOHE-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733210 691283499 /nfs/dbraw/zinc/28/34/99/691283499.db2.gz QKWUYTZMBCUORI-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040849267 691292670 /nfs/dbraw/zinc/29/26/70/691292670.db2.gz OQLHVMINYLCXLY-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041374296 691368878 /nfs/dbraw/zinc/36/88/78/691368878.db2.gz DOAAOCHQKFOLLO-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042157592 691525415 /nfs/dbraw/zinc/52/54/15/691525415.db2.gz SIRZHXMQWKHEJL-PBHICJAKSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042920691 691660066 /nfs/dbraw/zinc/66/00/66/691660066.db2.gz DUGBFRLEGUXFSC-MRXNPFEDSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001044056477 691764158 /nfs/dbraw/zinc/76/41/58/691764158.db2.gz ZWLVVHGGXVUJJD-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979911 692067933 /nfs/dbraw/zinc/06/79/33/692067933.db2.gz MPPVSYBALSYGGA-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001048538232 692641805 /nfs/dbraw/zinc/64/18/05/692641805.db2.gz NCTRRWKUOLXPFE-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP 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 692779314 /nfs/dbraw/zinc/77/93/14/692779314.db2.gz BLSGBLNJPSUBLM-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589641 692932740 /nfs/dbraw/zinc/93/27/40/692932740.db2.gz AFJSNMBKQHKYOT-QZTJIDSGSA-N 2 0 322.412 2.037 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001049919241 693046861 /nfs/dbraw/zinc/04/68/61/693046861.db2.gz OFXJAUUMUUFSLA-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915123 693047430 /nfs/dbraw/zinc/04/74/30/693047430.db2.gz SOYWJBWRQGUYGR-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001050546240 693204738 /nfs/dbraw/zinc/20/47/38/693204738.db2.gz KVZWUKKCGDQTGI-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050549537 693204996 /nfs/dbraw/zinc/20/49/96/693204996.db2.gz WYKAVZRCXODUJO-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001050688127 693232216 /nfs/dbraw/zinc/23/22/16/693232216.db2.gz WMWDBXZHNVFWBW-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1 ZINC000925892430 693361009 /nfs/dbraw/zinc/36/10/09/693361009.db2.gz ARXYYLFWTNEOSI-DLBZAZTESA-N 2 0 313.449 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052395693 693523458 /nfs/dbraw/zinc/52/34/58/693523458.db2.gz YDRRXIZMOLQKSL-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332221220 1149837470 /nfs/dbraw/zinc/83/74/70/1149837470.db2.gz WZZYUCNBWYAKJT-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@H+](C)CCN(C(=O)CCC[NH+]1CCCCC1)C(C)C ZINC001332740136 1149886810 /nfs/dbraw/zinc/88/68/10/1149886810.db2.gz BWDIXZIOPKHZCT-UHFFFAOYSA-N 2 0 321.509 2.445 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])CC1 ZINC001336005314 1150587427 /nfs/dbraw/zinc/58/74/27/1150587427.db2.gz YRJPYGWZFZWNAN-DOTOQJQBSA-N 2 0 322.497 2.186 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001343375726 1150738476 /nfs/dbraw/zinc/73/84/76/1150738476.db2.gz JLBYLSHOKFKTFF-JKSUJKDBSA-N 2 0 307.413 2.228 20 30 DEEDRP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC001363291154 1153317321 /nfs/dbraw/zinc/31/73/21/1153317321.db2.gz XPMHVOUKKLBGCW-DNVCBOLYSA-N 2 0 322.412 2.197 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001389343364 1155314860 /nfs/dbraw/zinc/31/48/60/1155314860.db2.gz JAYMRLVAVRYRFR-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001370963464 1155654049 /nfs/dbraw/zinc/65/40/49/1155654049.db2.gz NBCCTOTXMQWCNJ-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391353836 1156352231 /nfs/dbraw/zinc/35/22/31/1156352231.db2.gz MIXKATKTSWLQGF-GJZGRUSLSA-N 2 0 315.889 2.105 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001393057274 1157639646 /nfs/dbraw/zinc/63/96/46/1157639646.db2.gz VPPGPTJQBYHBDM-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001374433310 1157854133 /nfs/dbraw/zinc/85/41/33/1157854133.db2.gz CHAZOEJCUHJKES-UONOGXRCSA-N 2 0 303.878 2.056 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001376914981 1159844865 /nfs/dbraw/zinc/84/48/65/1159844865.db2.gz VHTUOHNQSSMBLH-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001377661340 1160686835 /nfs/dbraw/zinc/68/68/35/1160686835.db2.gz XTVKDGLAXGKNJU-AWEZNQCLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001420690954 1169868761 /nfs/dbraw/zinc/86/87/61/1169868761.db2.gz NJPCJDFELGJHNY-LSDHHAIUSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001422538180 1172688269 /nfs/dbraw/zinc/68/82/69/1172688269.db2.gz GGXHEVRICCHCEA-CQSZACIVSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001424194582 1173692889 /nfs/dbraw/zinc/69/28/89/1173692889.db2.gz IJCFMIMOBLPQIS-UHFFFAOYSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001437836872 1180023041 /nfs/dbraw/zinc/02/30/41/1180023041.db2.gz AUWCWYJSOYZLBS-ZFWWWQNUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001441212614 1181896506 /nfs/dbraw/zinc/89/65/06/1181896506.db2.gz UEHBSBBSULVLAD-CABCVRRESA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001444817089 1183567877 /nfs/dbraw/zinc/56/78/77/1183567877.db2.gz MIVHFYMMHBUDQF-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106476954 782734859 /nfs/dbraw/zinc/73/48/59/782734859.db2.gz BNBRNARNHVDNTQ-NXHRZFHOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357104 782797444 /nfs/dbraw/zinc/79/74/44/782797444.db2.gz RRLFKSPNESQVNP-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627207 782817015 /nfs/dbraw/zinc/81/70/15/782817015.db2.gz XIULFMKXXZMYQC-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401071 783068878 /nfs/dbraw/zinc/06/88/78/783068878.db2.gz OMYCEZMAIOSDMV-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437324 783135788 /nfs/dbraw/zinc/13/57/88/783135788.db2.gz QNYTWYUVRORXOV-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089560241 783208510 /nfs/dbraw/zinc/20/85/10/783208510.db2.gz XFJIGDKXAZXHRM-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1ccnc1 ZINC001099358103 783223499 /nfs/dbraw/zinc/22/34/99/783223499.db2.gz DNQJLAJFHUQQSQ-HNNXBMFYSA-N 2 0 304.438 2.066 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167522783 777288933 /nfs/dbraw/zinc/28/89/33/777288933.db2.gz FFXCDOMEJXGYGG-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104450040 777444019 /nfs/dbraw/zinc/44/40/19/777444019.db2.gz UAZWQCNFCZSOQF-NXHRZFHOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683613 778021512 /nfs/dbraw/zinc/02/15/12/778021512.db2.gz NOCDFDMRKLCNJB-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742423 778313613 /nfs/dbraw/zinc/31/36/13/778313613.db2.gz JFSOTHJWPURDRB-IAGOWNOFSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171121534 790693335 /nfs/dbraw/zinc/69/33/35/790693335.db2.gz UTLBTGYURLMHGY-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087577888 779359738 /nfs/dbraw/zinc/35/97/38/779359738.db2.gz OSFGRQPFTHOKRL-WCXIOVBPSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634565 779387441 /nfs/dbraw/zinc/38/74/41/779387441.db2.gz HNWUMXMXKPUVQD-ZWKOTPCHSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773483 779447470 /nfs/dbraw/zinc/44/74/70/779447470.db2.gz QANHBORDOGHQCU-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993502 779620382 /nfs/dbraw/zinc/62/03/82/779620382.db2.gz QJUGPRJNJIKRRC-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106694 779706135 /nfs/dbraw/zinc/70/61/35/779706135.db2.gz MOCQVGMWNVPYQI-KSZLIROESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000985501080 779876053 /nfs/dbraw/zinc/87/60/53/779876053.db2.gz IHOHVSYBJMIMRO-OAHLLOKOSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088381246 780050144 /nfs/dbraw/zinc/05/01/44/780050144.db2.gz AIWNVOFMUISSMU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001088394067 780064977 /nfs/dbraw/zinc/06/49/77/780064977.db2.gz VEGVHWLUQIQTCX-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413316 780087976 /nfs/dbraw/zinc/08/79/76/780087976.db2.gz CSCWEOPTIUSKAI-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426391 780108771 /nfs/dbraw/zinc/10/87/71/780108771.db2.gz TYYHJTFYUAYCGN-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001088430897 780119386 /nfs/dbraw/zinc/11/93/86/780119386.db2.gz AUJPKQDYBJBVEM-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168296967 780810259 /nfs/dbraw/zinc/81/02/59/780810259.db2.gz BGYDJHNGQWEFRV-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168334778 780851595 /nfs/dbraw/zinc/85/15/95/780851595.db2.gz WTTVEYDRCHOXIP-FHERZECASA-N 2 0 309.454 2.236 20 30 DEEDRP C[C@@H](Cc1cccc(C#N)c1)N(CCC[NH3+])CCC[NH+](C)C ZINC001171189627 790921160 /nfs/dbraw/zinc/92/11/60/790921160.db2.gz HYSHBWNGUWWFKR-INIZCTEOSA-N 2 0 302.466 2.092 20 30 DEEDRP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641334 783311077 /nfs/dbraw/zinc/31/10/77/783311077.db2.gz KVDIUJYOXUPOAW-IRXDYDNUSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948365553 783440458 /nfs/dbraw/zinc/44/04/58/783440458.db2.gz QHPSZRJTFBKSLF-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620264 783532673 /nfs/dbraw/zinc/53/26/73/783532673.db2.gz CLCIPFUELQYASI-QGZVFWFLSA-N 2 0 324.428 2.284 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085204031 783580277 /nfs/dbraw/zinc/58/02/77/783580277.db2.gz QFUXLHVLJLKCPC-KBUPBQIOSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639222 783915315 /nfs/dbraw/zinc/91/53/15/783915315.db2.gz KVEIOCANFYTRJC-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266063 783916279 /nfs/dbraw/zinc/91/62/79/783916279.db2.gz ZKNCYZDXCWHWPH-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688589 783966660 /nfs/dbraw/zinc/96/66/60/783966660.db2.gz NQCXXYIYUUVTER-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460568 784399444 /nfs/dbraw/zinc/39/94/44/784399444.db2.gz WRPZOTAYGZZRLQ-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968867055 784626105 /nfs/dbraw/zinc/62/61/05/784626105.db2.gz RCBCFFLKUPGQGG-FGTMMUONSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086502808 784798340 /nfs/dbraw/zinc/79/83/40/784798340.db2.gz PCAMXUOMBQXQDL-LUKYLMHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007327431 784890145 /nfs/dbraw/zinc/89/01/45/784890145.db2.gz NUUBVDDCMOMPRV-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007498320 784937063 /nfs/dbraw/zinc/93/70/63/784937063.db2.gz ZVTOJGFGLUOZTD-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267145 791074268 /nfs/dbraw/zinc/07/42/68/791074268.db2.gz AMAPFDCZYVCXHP-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008162950 785124896 /nfs/dbraw/zinc/12/48/96/785124896.db2.gz NPWBBEZLCPAZLB-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001108720213 785514461 /nfs/dbraw/zinc/51/44/61/785514461.db2.gz KPNWJDOLWQBMMO-XIRDDKMYSA-N 2 0 324.428 2.493 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204061557 791123100 /nfs/dbraw/zinc/12/31/00/791123100.db2.gz FABGUZCSLAOILD-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109417474 785861393 /nfs/dbraw/zinc/86/13/93/785861393.db2.gz CYFNPQSRXFRNRI-YVSFHVDLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001112864841 786261276 /nfs/dbraw/zinc/26/12/76/786261276.db2.gz GAHUGIUOJFZVCD-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001113008493 786358227 /nfs/dbraw/zinc/35/82/27/786358227.db2.gz RUZLVYOIOIKPGH-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014438472 786585799 /nfs/dbraw/zinc/58/57/99/786585799.db2.gz TWJWRULODADVGA-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130171478 787307735 /nfs/dbraw/zinc/30/77/35/787307735.db2.gz RFMBIWJPIXQRET-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)CC[C@H]1C ZINC001132541313 788118359 /nfs/dbraw/zinc/11/83/59/788118359.db2.gz CVMAMHLASMIAOY-AEFFLSMTSA-N 2 0 315.461 2.274 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097972377 788302840 /nfs/dbraw/zinc/30/28/40/788302840.db2.gz WBFVLHWZAHVLIZ-HZMVEIRTSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133176991 788307227 /nfs/dbraw/zinc/30/72/27/788307227.db2.gz BTMPPEHHSZNKOV-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133181868 788309037 /nfs/dbraw/zinc/30/90/37/788309037.db2.gz JXUCZRFLJWAPGG-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133337064 788370997 /nfs/dbraw/zinc/37/09/97/788370997.db2.gz IKJMVVYVZDNLRT-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893464 788660880 /nfs/dbraw/zinc/66/08/80/788660880.db2.gz FKRRWNDOMNYWNZ-INIZCTEOSA-N 2 0 317.477 2.465 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584784 788989083 /nfs/dbraw/zinc/98/90/83/788989083.db2.gz XAXFRIYBGFQREO-OLZOCXBDSA-N 2 0 301.862 2.096 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691195 789450712 /nfs/dbraw/zinc/45/07/12/789450712.db2.gz PUZFIBALZDEGFP-IAGOWNOFSA-N 2 0 309.498 2.395 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135690899 789451129 /nfs/dbraw/zinc/45/11/29/789451129.db2.gz LOWTZKXIAOFAPI-IAGOWNOFSA-N 2 0 309.498 2.395 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086783471 789502982 /nfs/dbraw/zinc/50/29/82/789502982.db2.gz BSJYAKOFZPPTLB-YESZJQIVSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170872519 789567398 /nfs/dbraw/zinc/56/73/98/789567398.db2.gz XQJLYQWIIPGPCS-IXDOHACOSA-N 2 0 307.482 2.005 20 30 DEEDRP N#Cc1c(N[C@H]([NH3+])CCC[NH3+])nc(Cl)cc1C(F)(F)F ZINC001170894491 789641519 /nfs/dbraw/zinc/64/15/19/789641519.db2.gz IIGNDEHXQBFTKX-VIFPVBQESA-N 2 0 307.707 2.061 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071871194 789951612 /nfs/dbraw/zinc/95/16/12/789951612.db2.gz GNHFXKDQULXWCX-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001146612054 791322692 /nfs/dbraw/zinc/32/26/92/791322692.db2.gz PDHSWMFUUGNLLM-SJORKVTESA-N 2 0 319.493 2.171 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074824687 791329163 /nfs/dbraw/zinc/32/91/63/791329163.db2.gz HZWHJNBATGSQPG-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315887 791737848 /nfs/dbraw/zinc/73/78/48/791737848.db2.gz ZOGZFTPKZQTUCH-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737082 791783246 /nfs/dbraw/zinc/78/32/46/791783246.db2.gz IJDZOVTTWNIHLT-LMMKCTJWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737940 791783915 /nfs/dbraw/zinc/78/39/15/791783915.db2.gz KVXPXSCAMGXUML-LMMKCTJWSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625928 791784712 /nfs/dbraw/zinc/78/47/12/791784712.db2.gz PFLUHSYFPZZSSW-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823921 791891884 /nfs/dbraw/zinc/89/18/84/791891884.db2.gz LQNPZJFLELPODG-APWZRJJASA-N 2 0 324.428 2.304 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092072511 791928373 /nfs/dbraw/zinc/92/83/73/791928373.db2.gz YXELTDHADMMDIB-MJGOQNOKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071420 791928468 /nfs/dbraw/zinc/92/84/68/791928468.db2.gz VHNCXWWKYYKQGM-SCTDSRPQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001092658092 792104550 /nfs/dbraw/zinc/10/45/50/792104550.db2.gz HDEGIBXQTCKORQ-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099236205 792145454 /nfs/dbraw/zinc/14/54/54/792145454.db2.gz WZIYPRDBWPTTJN-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099233634 792145936 /nfs/dbraw/zinc/14/59/36/792145936.db2.gz AHBPISLTLRRVNA-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161636 793055699 /nfs/dbraw/zinc/05/56/99/793055699.db2.gz NMTMKEPICSEOCU-LTIDMASMSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368909 793135842 /nfs/dbraw/zinc/13/58/42/793135842.db2.gz UCYWEDKLJDLILT-APWZRJJASA-N 2 0 321.509 2.321 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001101575104 793240764 /nfs/dbraw/zinc/24/07/64/793240764.db2.gz TTZGMLSIWBSJMU-WBVHZDCISA-N 2 0 321.509 2.225 20 30 DEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172303751 793393276 /nfs/dbraw/zinc/39/32/76/793393276.db2.gz DRYGVOQCKOKXOW-HNNXBMFYSA-N 2 0 313.445 2.190 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974882 793465381 /nfs/dbraw/zinc/46/53/81/793465381.db2.gz VCPYPDAAVKCMGC-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP CCC[N@H+](CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970384 793547131 /nfs/dbraw/zinc/54/71/31/793547131.db2.gz FRJIKUXSUWGNEV-GJZGRUSLSA-N 2 0 324.469 2.339 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203349407 793913634 /nfs/dbraw/zinc/91/36/34/793913634.db2.gz NLLIEFDXDVVWAV-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085081 793934607 /nfs/dbraw/zinc/93/46/07/793934607.db2.gz CZTSUGJRKPUJNH-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263465 794171999 /nfs/dbraw/zinc/17/19/99/794171999.db2.gz PXIXXBQQTHCJRI-UKRRQHHQSA-N 2 0 315.889 2.345 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271393 794174307 /nfs/dbraw/zinc/17/43/07/794174307.db2.gz AXKLLINUOAOQQQ-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175968310 794321678 /nfs/dbraw/zinc/32/16/78/794321678.db2.gz ZKXUSWXOUHJVIH-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164325 794374450 /nfs/dbraw/zinc/37/44/50/794374450.db2.gz AJNNXBGJODDVCJ-LSDHHAIUSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006069 794543353 /nfs/dbraw/zinc/54/33/53/794543353.db2.gz FTYQBBJUWSPHCX-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176992466 794551861 /nfs/dbraw/zinc/55/18/61/794551861.db2.gz QBOUODBLPFGKGL-HNNXBMFYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112428720 794632413 /nfs/dbraw/zinc/63/24/13/794632413.db2.gz LSBGAEZHBJLJTD-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571519 794824691 /nfs/dbraw/zinc/82/46/91/794824691.db2.gz BYXNOPKMNGGPDF-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115733030 794900788 /nfs/dbraw/zinc/90/07/88/794900788.db2.gz IOTAJQQLUXKAQF-AWEZNQCLSA-N 2 0 315.889 2.488 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483574 794935804 /nfs/dbraw/zinc/93/58/04/794935804.db2.gz DXLFMXJFFBUPFE-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902574 795027332 /nfs/dbraw/zinc/02/73/32/795027332.db2.gz XCHSPYNYUTYHAZ-ZOBUZTSGSA-N 2 0 307.482 2.404 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179233881 795081363 /nfs/dbraw/zinc/08/13/63/795081363.db2.gz DVLYYEOQQQBGHP-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179521452 795125844 /nfs/dbraw/zinc/12/58/44/795125844.db2.gz MMSMTDIMKSLEHR-SOUVJXGZSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550224 795134973 /nfs/dbraw/zinc/13/49/73/795134973.db2.gz RXEJFPLCFRUOGV-KBPBESRZSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)[C@H]1C ZINC001179688709 795152728 /nfs/dbraw/zinc/15/27/28/795152728.db2.gz FPCVGRWNFIOBRG-DZKIICNBSA-N 2 0 304.438 2.134 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788393 795176280 /nfs/dbraw/zinc/17/62/80/795176280.db2.gz YJGUWXWNMZKIHS-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCC)[C@@H]2C)CC1 ZINC001180203902 795255775 /nfs/dbraw/zinc/25/57/75/795255775.db2.gz BBNAHCJLIWMHNN-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120189390 795419415 /nfs/dbraw/zinc/41/94/15/795419415.db2.gz IWVWRXURJNNUKH-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C[NH+]1CCC(CC[NH+]=C(NC[C@@H]2CCCO2)NC(C)(C)C)CC1 ZINC001120550163 795482729 /nfs/dbraw/zinc/48/27/29/795482729.db2.gz XJCATUOFOMWHNG-INIZCTEOSA-N 2 0 324.513 2.231 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181885175 795556449 /nfs/dbraw/zinc/55/64/49/795556449.db2.gz RDHKLCHXTYODST-JFIYKMOQSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121295153 795612380 /nfs/dbraw/zinc/61/23/80/795612380.db2.gz SHEUIOFVKSXRPS-APUKJBRXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121663051 795669536 /nfs/dbraw/zinc/66/95/36/795669536.db2.gz GPTWKTDKVWPQEJ-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121768003 795685097 /nfs/dbraw/zinc/68/50/97/795685097.db2.gz UXRSMRQCNXRQLS-XOGYLQAWSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001121859775 795696403 /nfs/dbraw/zinc/69/64/03/795696403.db2.gz HTAREGLTYAGTIK-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC001122005681 795715614 /nfs/dbraw/zinc/71/56/14/795715614.db2.gz QYIYMOCXZJZGHK-OAHLLOKOSA-N 2 0 316.449 2.061 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177870 795733361 /nfs/dbraw/zinc/73/33/61/795733361.db2.gz LGPYRLXNXDUXKI-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001183085646 795797384 /nfs/dbraw/zinc/79/73/84/795797384.db2.gz DKAOERYMBBGZAR-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240681 795836342 /nfs/dbraw/zinc/83/63/42/795836342.db2.gz PGRWARJAZMETIH-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256465 795839736 /nfs/dbraw/zinc/83/97/36/795839736.db2.gz XBGDNIWWLMUZED-NVXWUHKLSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001183497223 795881901 /nfs/dbraw/zinc/88/19/01/795881901.db2.gz YGJPOLQWCIFMRY-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185547506 796289952 /nfs/dbraw/zinc/28/99/52/796289952.db2.gz IGJGIFKIAPAEFJ-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001202872476 796293814 /nfs/dbraw/zinc/29/38/14/796293814.db2.gz GPUVIZBYMPJUNV-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(S)CC3)cc2)CC1 ZINC001139412363 796371954 /nfs/dbraw/zinc/37/19/54/796371954.db2.gz ITCQCCGDMRPKMB-UHFFFAOYSA-N 2 0 305.491 2.333 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187018152 796472242 /nfs/dbraw/zinc/47/22/42/796472242.db2.gz GDISCYROTKYSLY-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C[N@@H+]1CC[C@@H]2CN(Cc3sc(N)c(C#N)c3Cl)C[C@@H]2C1 ZINC001141109034 796635059 /nfs/dbraw/zinc/63/50/59/796635059.db2.gz GORMJHSFMKACFW-ZJUUUORDSA-N 2 0 310.854 2.239 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163545 797149007 /nfs/dbraw/zinc/14/90/07/797149007.db2.gz WLKATGFFCZOLHJ-INIZCTEOSA-N 2 0 312.417 2.447 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC2CCCCC2)CC1 ZINC001152334619 797172096 /nfs/dbraw/zinc/17/20/96/797172096.db2.gz KXTDDFSFLRDRPT-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683716 797249681 /nfs/dbraw/zinc/24/96/81/797249681.db2.gz ITMGBUXRZSHXSV-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019230 797306095 /nfs/dbraw/zinc/30/60/95/797306095.db2.gz VRSZPKOCFWELKD-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916918 797470273 /nfs/dbraw/zinc/47/02/73/797470273.db2.gz GTSGWJHLASMGHP-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844322 797624959 /nfs/dbraw/zinc/62/49/59/797624959.db2.gz BDAWSOKGYBNSLG-AEFFLSMTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001809 797667248 /nfs/dbraw/zinc/66/72/48/797667248.db2.gz KVEICPVOYAHQOG-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221680 798295582 /nfs/dbraw/zinc/29/55/82/798295582.db2.gz MWWZKCCEMMFPMU-CALCHBBNSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973484 798319562 /nfs/dbraw/zinc/31/95/62/798319562.db2.gz FSYPSJAGQFCOKW-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203316451 798348761 /nfs/dbraw/zinc/34/87/61/798348761.db2.gz HENQYYZMQNQXOM-CVEARBPZSA-N 2 0 319.493 2.311 20 30 DEEDRP N#Cc1c(Cl)c2ccc(F)cc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159789980 798608157 /nfs/dbraw/zinc/60/81/57/798608157.db2.gz ZGONDBBPGSOOJR-LBPRGKRZSA-N 2 0 307.760 2.335 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838438 798616583 /nfs/dbraw/zinc/61/65/83/798616583.db2.gz MPLDSDJPUXSYNC-IAGOWNOFSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200828857 798684618 /nfs/dbraw/zinc/68/46/18/798684618.db2.gz HMOGTTRRHSRURE-UHFFFAOYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200842318 798686232 /nfs/dbraw/zinc/68/62/32/798686232.db2.gz WWHKECPWWSTSTM-INIZCTEOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201037997 798709249 /nfs/dbraw/zinc/70/92/49/798709249.db2.gz RIXUPUFHAVPUCE-HNNXBMFYSA-N 2 0 307.482 2.406 20 30 DEEDRP Cc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cnc1C#N ZINC001201657385 798786515 /nfs/dbraw/zinc/78/65/15/798786515.db2.gz HYGRXZBWIXNTDE-UHFFFAOYSA-N 2 0 308.389 2.152 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111020647 799834545 /nfs/dbraw/zinc/83/45/45/799834545.db2.gz GNQSECKGZLLKBV-HZMVEIRTSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687723 799921391 /nfs/dbraw/zinc/92/13/91/799921391.db2.gz XZCVMWZDIKXKRJ-HNNXBMFYSA-N 2 0 319.852 2.047 20 30 DEEDRP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203698758 800107407 /nfs/dbraw/zinc/10/74/07/800107407.db2.gz AJTPZOQONZDUGY-INIZCTEOSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206549240 800551992 /nfs/dbraw/zinc/55/19/92/800551992.db2.gz XCADTMHFCZWPRF-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206586087 800558644 /nfs/dbraw/zinc/55/86/44/800558644.db2.gz NJAXIQMXUVBFMZ-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935668 800633790 /nfs/dbraw/zinc/63/37/90/800633790.db2.gz PHUKKIHCJLIZCV-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206950567 800639430 /nfs/dbraw/zinc/63/94/30/800639430.db2.gz YXRDBZATXTUOMF-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616798 800789353 /nfs/dbraw/zinc/78/93/53/800789353.db2.gz FKSDRPQVKBLSIO-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207634717 800794893 /nfs/dbraw/zinc/79/48/93/800794893.db2.gz JOFUDWHLPQDGGK-ZCNNSNEGSA-N 2 0 315.505 2.490 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859135 800849765 /nfs/dbraw/zinc/84/97/65/800849765.db2.gz JLBRBJRBJINRNB-IXDOHACOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001209891470 801303134 /nfs/dbraw/zinc/30/31/34/801303134.db2.gz DTJQSMNCMWZKFK-HNNXBMFYSA-N 2 0 304.438 2.163 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001230016389 801348210 /nfs/dbraw/zinc/34/82/10/801348210.db2.gz MQGQBDJKZWLMQA-UHFFFAOYSA-N 2 0 321.509 2.493 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230035964 801352797 /nfs/dbraw/zinc/35/27/97/801352797.db2.gz ZCKOVZVCHXHZQE-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210283463 801369616 /nfs/dbraw/zinc/36/96/16/801369616.db2.gz PZLRCNSVVLVLQF-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC)CC1 ZINC001230251883 801375424 /nfs/dbraw/zinc/37/54/24/801375424.db2.gz OLKSMLQICMUCHL-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257547 801376894 /nfs/dbraw/zinc/37/68/94/801376894.db2.gz UAWQFVCPCLPZEN-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592303 801431105 /nfs/dbraw/zinc/43/11/05/801431105.db2.gz YANSDLIXRAAEME-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230619134 801438588 /nfs/dbraw/zinc/43/85/88/801438588.db2.gz VLEPGIOMFCYMKE-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230627058 801439958 /nfs/dbraw/zinc/43/99/58/801439958.db2.gz AISWUHRNCJDARJ-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211228869 801533779 /nfs/dbraw/zinc/53/37/79/801533779.db2.gz KUILAQAYWCFGCK-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231216662 801608051 /nfs/dbraw/zinc/60/80/51/801608051.db2.gz MOXMPGFQEWIFNG-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861343 801767764 /nfs/dbraw/zinc/76/77/64/801767764.db2.gz RLBKOCQYPKNPNE-BFYDXBDKSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215978208 801923673 /nfs/dbraw/zinc/92/36/73/801923673.db2.gz YZMKZCUELCSSLM-ZACQAIPSSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750263 802021652 /nfs/dbraw/zinc/02/16/52/802021652.db2.gz WBEHCIVNZIVFNU-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223480479 802793748 /nfs/dbraw/zinc/79/37/48/802793748.db2.gz MXPYNUVQKSFZAL-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+]1CCC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001223678319 802808123 /nfs/dbraw/zinc/80/81/23/802808123.db2.gz MLMRLJLEHQQSQO-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223697748 802810035 /nfs/dbraw/zinc/81/00/35/802810035.db2.gz JUAGKJOXFRGLOE-SQNIBIBYSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739821 802899719 /nfs/dbraw/zinc/89/97/19/802899719.db2.gz REHLSTGKUWEHOE-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225541435 802979473 /nfs/dbraw/zinc/97/94/73/802979473.db2.gz CJPWZECBDBDDGQ-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001227986643 803302477 /nfs/dbraw/zinc/30/24/77/803302477.db2.gz IIKQIGZYSPIJDG-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001228114071 803320974 /nfs/dbraw/zinc/32/09/74/803320974.db2.gz PBOWDBMDNOMTDP-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001228931917 803432281 /nfs/dbraw/zinc/43/22/81/803432281.db2.gz GOGWOYBUWJDFMT-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001370316030 1149526038 /nfs/dbraw/zinc/52/60/38/1149526038.db2.gz CMOSJYITXXFZNF-CABCVRRESA-N 2 0 315.889 2.250 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001566131872 1072447929 /nfs/dbraw/zinc/44/79/29/1072447929.db2.gz RIONRRLVFVCVTH-IRXDYDNUSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328694829 1148825104 /nfs/dbraw/zinc/82/51/04/1148825104.db2.gz WKEMRTADUHPQHK-KURKYZTESA-N 2 0 315.461 2.130 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001284349301 1145840922 /nfs/dbraw/zinc/84/09/22/1145840922.db2.gz XOFAPMCAWSYWEP-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500401000 1058751646 /nfs/dbraw/zinc/75/16/46/1058751646.db2.gz BJCUXNQWLLSSIL-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001501188428 1059359450 /nfs/dbraw/zinc/35/94/50/1059359450.db2.gz IUWZVCBXGUKUIP-BRWVUGGUSA-N 2 0 307.482 2.026 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001501190039 1059363588 /nfs/dbraw/zinc/36/35/88/1059363588.db2.gz MPCOZKFKOPUQCT-VPLLLXJESA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001502732052 1060255678 /nfs/dbraw/zinc/25/56/78/1060255678.db2.gz VJFGEQWKJFQFOG-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001502839051 1060350619 /nfs/dbraw/zinc/35/06/19/1060350619.db2.gz QUBTXRXGELTFSJ-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479368150 1061416787 /nfs/dbraw/zinc/41/67/87/1061416787.db2.gz CVTBXSKQSPSXBO-WRQOLXDDSA-N 2 0 307.482 2.166 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001479711265 1061631214 /nfs/dbraw/zinc/63/12/14/1061631214.db2.gz RTQWTBXVDOXIHK-ZBFHGGJFSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001479729118 1061647292 /nfs/dbraw/zinc/64/72/92/1061647292.db2.gz IZLVCDZGJXAPFM-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479747348 1061674966 /nfs/dbraw/zinc/67/49/66/1061674966.db2.gz XQUFKOQJWXOAFL-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001479890774 1061998018 /nfs/dbraw/zinc/99/80/18/1061998018.db2.gz DHQODFUCNMUTKV-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001506663725 1062253310 /nfs/dbraw/zinc/25/33/10/1062253310.db2.gz VWCOGGHMKIAWBB-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190347 1062442709 /nfs/dbraw/zinc/44/27/09/1062442709.db2.gz ZVJBHTKUQNHSTF-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001506864744 1062449316 /nfs/dbraw/zinc/44/93/16/1062449316.db2.gz FWUMSSSUAAHXRL-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001480211620 1062470086 /nfs/dbraw/zinc/47/00/86/1062470086.db2.gz UDSYBXHFNQNUNC-YVSFHVDLSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001506885817 1062471022 /nfs/dbraw/zinc/47/10/22/1062471022.db2.gz CFHCPUIVFHHTBX-ZOBUZTSGSA-N 2 0 305.466 2.064 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001506940170 1062562936 /nfs/dbraw/zinc/56/29/36/1062562936.db2.gz HDADZVMYBALSQU-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001480288481 1062588724 /nfs/dbraw/zinc/58/87/24/1062588724.db2.gz QEOGHBAIBGYXAP-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480724650 1063249855 /nfs/dbraw/zinc/24/98/55/1063249855.db2.gz KVNZTGVNNVTHCC-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480773566 1063324609 /nfs/dbraw/zinc/32/46/09/1063324609.db2.gz KMFVHTZLKVRRLC-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001493159946 1063609920 /nfs/dbraw/zinc/60/99/20/1063609920.db2.gz FVNBENVAMCBBBC-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001493905312 1064018356 /nfs/dbraw/zinc/01/83/56/1064018356.db2.gz NFGQQSRZNQCWND-QGZVFWFLSA-N 2 0 303.450 2.350 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001494082462 1064118150 /nfs/dbraw/zinc/11/81/50/1064118150.db2.gz GXUGNTMIVXCBAV-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001567442894 1064200920 /nfs/dbraw/zinc/20/09/20/1064200920.db2.gz NRWBXYOVYNRZIN-ZMSDIMECSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567663751 1064327175 /nfs/dbraw/zinc/32/71/75/1064327175.db2.gz ROXYETUGJNHMJH-ROUUACIJSA-N 2 0 315.461 2.494 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567712586 1064370964 /nfs/dbraw/zinc/37/09/64/1064370964.db2.gz WULLXWOPJANJHX-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001567729675 1064380189 /nfs/dbraw/zinc/38/01/89/1064380189.db2.gz LRAWMDFXYAVBEH-CVEARBPZSA-N 2 0 318.465 2.477 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568138325 1064667106 /nfs/dbraw/zinc/66/71/06/1064667106.db2.gz UNKTXKXHRSKREX-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001568244413 1064725334 /nfs/dbraw/zinc/72/53/34/1064725334.db2.gz KWSSOSYOIQQTKZ-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568329370 1064782052 /nfs/dbraw/zinc/78/20/52/1064782052.db2.gz WYQLPCJHRHXEDZ-KRWDZBQOSA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001568346780 1064795189 /nfs/dbraw/zinc/79/51/89/1064795189.db2.gz NXQAVAQNXAUXCB-FUHWJXTLSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001495430264 1064901241 /nfs/dbraw/zinc/90/12/41/1064901241.db2.gz IJEXPSULEDNFEM-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001568969089 1065219261 /nfs/dbraw/zinc/21/92/61/1065219261.db2.gz HZUBQOCZDHBPDZ-PLNGDYQASA-N 2 0 321.852 2.376 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001569470928 1065527830 /nfs/dbraw/zinc/52/78/30/1065527830.db2.gz MRHZXPGFTKGSBK-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569695615 1065677155 /nfs/dbraw/zinc/67/71/55/1065677155.db2.gz QOEVWQBKCDYAKN-WMZOPIPTSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569723317 1065692123 /nfs/dbraw/zinc/69/21/23/1065692123.db2.gz UOYPDNKCDUBVHY-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569909900 1065810375 /nfs/dbraw/zinc/81/03/75/1065810375.db2.gz KATRUALQNYKFKA-ZJPYXAASSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001570008454 1065878529 /nfs/dbraw/zinc/87/85/29/1065878529.db2.gz LNHSKVACKCIZES-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001570031329 1065894300 /nfs/dbraw/zinc/89/43/00/1065894300.db2.gz MDSLEMKCQFNQNN-RHSMWYFYSA-N 2 0 303.450 2.480 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001570463702 1066082411 /nfs/dbraw/zinc/08/24/11/1066082411.db2.gz CNEDCZQJYYBVRF-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001570504479 1066097742 /nfs/dbraw/zinc/09/77/42/1066097742.db2.gz KDIBLMYMADAZBV-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497677858 1066231746 /nfs/dbraw/zinc/23/17/46/1066231746.db2.gz BTBVFXAKIIAIGP-JTGQJZMRSA-N 2 0 311.445 2.037 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001497989570 1066448289 /nfs/dbraw/zinc/44/82/89/1066448289.db2.gz CGFPGILACRBKCP-IAGOWNOFSA-N 2 0 321.509 2.108 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267009814 1078496403 /nfs/dbraw/zinc/49/64/03/1078496403.db2.gz WLJULGQPNSQGNO-ZWKOTPCHSA-N 2 0 321.509 2.489 20 30 DEEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001496129181 1078519678 /nfs/dbraw/zinc/51/96/78/1078519678.db2.gz PFGZJFOPAFBSDK-INIZCTEOSA-N 2 0 307.482 2.101 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC001580079907 1067491726 /nfs/dbraw/zinc/49/17/26/1067491726.db2.gz IPKNECHYXTXGFD-AKBUMOGYSA-N 2 0 314.433 2.360 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1F ZINC001580076490 1067491898 /nfs/dbraw/zinc/49/18/98/1067491898.db2.gz YLWLRAAOWOODLR-QGZVFWFLSA-N 2 0 317.408 2.288 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001570621819 1068039529 /nfs/dbraw/zinc/03/95/29/1068039529.db2.gz OXFJYVNDMPCQQW-HZPDHXFCSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001570826947 1068130349 /nfs/dbraw/zinc/13/03/49/1068130349.db2.gz HJZHUNGJDKOCPY-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001571505731 1068364790 /nfs/dbraw/zinc/36/47/90/1068364790.db2.gz VTXSLRJDEQDACC-WMZOPIPTSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001571511557 1068370106 /nfs/dbraw/zinc/37/01/06/1068370106.db2.gz SQBMKIIAGGTKPB-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001571639422 1068454093 /nfs/dbraw/zinc/45/40/93/1068454093.db2.gz NQZIYHFUXQXBKC-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001571650563 1068459512 /nfs/dbraw/zinc/45/95/12/1068459512.db2.gz XSXYVEYDJVQLJZ-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001267328191 1078768690 /nfs/dbraw/zinc/76/86/90/1078768690.db2.gz NEPLWDWWDSPTCB-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267460460 1078870074 /nfs/dbraw/zinc/87/00/74/1078870074.db2.gz VUMJCVACXNNPBI-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2ccnc2C)C1 ZINC001267496038 1078921199 /nfs/dbraw/zinc/92/11/99/1078921199.db2.gz KTPKWXQHOLPONP-INIZCTEOSA-N 2 0 304.438 2.081 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001483743971 1078980808 /nfs/dbraw/zinc/98/08/08/1078980808.db2.gz JTRXRWQQOUTUPS-JKSUJKDBSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267556868 1078989138 /nfs/dbraw/zinc/98/91/38/1078989138.db2.gz VUBBAADFZWYORQ-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267595309 1079112241 /nfs/dbraw/zinc/11/22/41/1079112241.db2.gz HISXPJVLVUWCMV-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CCCCCC1 ZINC001483813244 1079136130 /nfs/dbraw/zinc/13/61/30/1079136130.db2.gz KSHVNLAQFYPRKX-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001483836490 1079151211 /nfs/dbraw/zinc/15/12/11/1079151211.db2.gz AQOYWSQEPXOVQM-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001329346993 1148886597 /nfs/dbraw/zinc/88/65/97/1148886597.db2.gz XBVWTNXQEMUCBG-UHFFFAOYSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483975523 1079221449 /nfs/dbraw/zinc/22/14/49/1079221449.db2.gz LVHLPRZGZGRHRP-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267831735 1079522072 /nfs/dbraw/zinc/52/20/72/1079522072.db2.gz SUCHQIVHAPJYLK-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001496299246 1079241291 /nfs/dbraw/zinc/24/12/91/1079241291.db2.gz AQBOWXCAONXLLE-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484139895 1079319430 /nfs/dbraw/zinc/31/94/30/1079319430.db2.gz DZOLEZSTRJGDNS-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267686809 1079373750 /nfs/dbraw/zinc/37/37/50/1079373750.db2.gz VTHNKFPXLFEZRR-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001566076314 1075225581 /nfs/dbraw/zinc/22/55/81/1075225581.db2.gz VTHARJOSYWAHIE-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001566131871 1075234393 /nfs/dbraw/zinc/23/43/93/1075234393.db2.gz RIONRRLVFVCVTH-IAGOWNOFSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001566131870 1075234870 /nfs/dbraw/zinc/23/48/70/1075234870.db2.gz RIONRRLVFVCVTH-DLBZAZTESA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001566719542 1075326101 /nfs/dbraw/zinc/32/61/01/1075326101.db2.gz LOSAMGGJJDRSDQ-BHYGNILZSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566894242 1075376722 /nfs/dbraw/zinc/37/67/22/1075376722.db2.gz XXEVDYYOHUOPCC-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001566906572 1075380426 /nfs/dbraw/zinc/38/04/26/1075380426.db2.gz LCOCXVKGALUABX-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001566953717 1075398682 /nfs/dbraw/zinc/39/86/82/1075398682.db2.gz ILMXRGMTDPQLAL-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001567055584 1075424847 /nfs/dbraw/zinc/42/48/47/1075424847.db2.gz AWSTYWFWAQCSOW-JQHSSLGASA-N 2 0 315.461 2.002 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567167897 1075451099 /nfs/dbraw/zinc/45/10/99/1075451099.db2.gz RIOARYLMMHBZTL-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001272681805 1079538582 /nfs/dbraw/zinc/53/85/82/1079538582.db2.gz BVVCPSCFMREDCE-INIZCTEOSA-N 2 0 315.461 2.262 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484397206 1079586358 /nfs/dbraw/zinc/58/63/58/1079586358.db2.gz BZBMOYVHCRILSZ-KZNAEPCWSA-N 2 0 321.509 2.417 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001267938653 1079619982 /nfs/dbraw/zinc/61/99/82/1079619982.db2.gz FBVWRJYJYBEFBX-MRXNPFEDSA-N 2 0 315.461 2.310 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001279245018 1079624949 /nfs/dbraw/zinc/62/49/49/1079624949.db2.gz VBBOESHIHXSMML-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001484748225 1079777128 /nfs/dbraw/zinc/77/71/28/1079777128.db2.gz DYJDRTVSRQDPNB-UHFFFAOYSA-N 2 0 312.417 2.060 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485060960 1079951745 /nfs/dbraw/zinc/95/17/45/1079951745.db2.gz OPNIREQTJDULQQ-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268113420 1080082639 /nfs/dbraw/zinc/08/26/39/1080082639.db2.gz TURCLUFGQVMHGJ-ROUUACIJSA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001485240175 1080090879 /nfs/dbraw/zinc/09/08/79/1080090879.db2.gz ROWVMRXAIVZSEG-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001656571296 1080103329 /nfs/dbraw/zinc/10/33/29/1080103329.db2.gz OGHMUZMVLGHTPV-SJORKVTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001268137941 1080105495 /nfs/dbraw/zinc/10/54/95/1080105495.db2.gz NRRJBBNRYOMBAB-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CCN1CC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481596227 1080119465 /nfs/dbraw/zinc/11/94/65/1080119465.db2.gz MBELQOUWBWAJBK-GOSISDBHSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001268160892 1080138554 /nfs/dbraw/zinc/13/85/54/1080138554.db2.gz BUWGQGKHVVSSDL-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304546 1080141007 /nfs/dbraw/zinc/14/10/07/1080141007.db2.gz XOYMRNGIQQWPSS-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001268193748 1080180830 /nfs/dbraw/zinc/18/08/30/1080180830.db2.gz WYIYVGPNEFRMLW-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001268226543 1080207991 /nfs/dbraw/zinc/20/79/91/1080207991.db2.gz BGYMQWHVIBJQJN-MSOLQXFVSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001485458667 1080227191 /nfs/dbraw/zinc/22/71/91/1080227191.db2.gz DFGSGIPYIBRQFP-CALCHBBNSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001660475384 1080338107 /nfs/dbraw/zinc/33/81/07/1080338107.db2.gz MMSLNRRLWQUTES-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001485662810 1080354199 /nfs/dbraw/zinc/35/41/99/1080354199.db2.gz NTNJVEVSLMJBCA-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001481729504 1080397112 /nfs/dbraw/zinc/39/71/12/1080397112.db2.gz WDSUEACAXKQUOO-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001661236037 1080461876 /nfs/dbraw/zinc/46/18/76/1080461876.db2.gz SCLYJKFRMZSWSP-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661598522 1080498528 /nfs/dbraw/zinc/49/85/28/1080498528.db2.gz YCHCOJBQUREPRH-NXOAAHMSSA-N 2 0 307.482 2.451 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481782890 1080500871 /nfs/dbraw/zinc/50/08/71/1080500871.db2.gz SZAAVAUUBUXIBD-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001662219143 1080584785 /nfs/dbraw/zinc/58/47/85/1080584785.db2.gz CADUXNOVERIFPI-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001662630873 1080623948 /nfs/dbraw/zinc/62/39/48/1080623948.db2.gz PWXXITIEEUIRKI-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001662727356 1080641697 /nfs/dbraw/zinc/64/16/97/1080641697.db2.gz GTORDUGKUIONHG-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001481975129 1080661781 /nfs/dbraw/zinc/66/17/81/1080661781.db2.gz QLYAOAKOVSZTEU-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001662839957 1080665899 /nfs/dbraw/zinc/66/58/99/1080665899.db2.gz ZGFWZIBABGROTR-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001482002480 1080681799 /nfs/dbraw/zinc/68/17/99/1080681799.db2.gz KUENUWFBBJOUSS-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268539423 1080733902 /nfs/dbraw/zinc/73/39/02/1080733902.db2.gz SYGNTUBBZMPJQS-MOEXGYKKSA-N 2 0 305.466 2.089 20 30 DEEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663931528 1080837696 /nfs/dbraw/zinc/83/76/96/1080837696.db2.gz LVAOLDVFPPTDEW-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001664686801 1080943042 /nfs/dbraw/zinc/94/30/42/1080943042.db2.gz NFKXGTRKFIYIGO-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001664726393 1080949454 /nfs/dbraw/zinc/94/94/54/1080949454.db2.gz JUEHXAUUWQICTH-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001268988380 1081076764 /nfs/dbraw/zinc/07/67/64/1081076764.db2.gz PSPWTJKNXARUNU-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001665921769 1081098229 /nfs/dbraw/zinc/09/82/29/1081098229.db2.gz UTGKOYSFNDVNII-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001269071615 1081108767 /nfs/dbraw/zinc/10/87/67/1081108767.db2.gz NDXLTXSXJFXCEG-FUHWJXTLSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001667285477 1081233496 /nfs/dbraw/zinc/23/34/96/1081233496.db2.gz SBIPJVFWAGRPGN-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001667351608 1081241542 /nfs/dbraw/zinc/24/15/42/1081241542.db2.gz FWYYVEQTDUWNIE-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001667401506 1081248075 /nfs/dbraw/zinc/24/80/75/1081248075.db2.gz VWNHPJKDQQIWDB-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001667426792 1081250183 /nfs/dbraw/zinc/25/01/83/1081250183.db2.gz YWQCBIXEHPDAOA-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001667692797 1081275888 /nfs/dbraw/zinc/27/58/88/1081275888.db2.gz CPXWEYUBIWSQKO-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863908 1081404274 /nfs/dbraw/zinc/40/42/74/1081404274.db2.gz AJAFKBGRPPONGH-OSJSJHBBSA-N 2 0 305.466 2.232 20 30 DEEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001668900336 1081408380 /nfs/dbraw/zinc/40/83/80/1081408380.db2.gz XMKANMZFLUHLIJ-CMDGGOBGSA-N 2 0 307.482 2.478 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001270118302 1081454581 /nfs/dbraw/zinc/45/45/81/1081454581.db2.gz LWWBDCZAXYOGHA-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCCCC2)CC1 ZINC001669750449 1081465316 /nfs/dbraw/zinc/46/53/16/1081465316.db2.gz KFUCHNBLYHRNJP-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1CC[NH+](CCC)CC1 ZINC001671491419 1081519203 /nfs/dbraw/zinc/51/92/03/1081519203.db2.gz APRVQCAUNKQHKO-GOSISDBHSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001671887258 1081546495 /nfs/dbraw/zinc/54/64/95/1081546495.db2.gz KWNMDTWNVIEOOJ-NUJGCVRESA-N 2 0 307.482 2.121 20 30 DEEDRP 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 1081586724 /nfs/dbraw/zinc/58/67/24/1081586724.db2.gz MTXLXGBSPRFDCD-IJTOGUNISA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001673639239 1081787401 /nfs/dbraw/zinc/78/74/01/1081787401.db2.gz FVRLIIMVRWNHBS-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001673879678 1081808223 /nfs/dbraw/zinc/80/82/23/1081808223.db2.gz XMTQRXNJNQYRNF-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001674353623 1081863697 /nfs/dbraw/zinc/86/36/97/1081863697.db2.gz QIIYPHDAMJPPMS-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001674469457 1081877465 /nfs/dbraw/zinc/87/74/65/1081877465.db2.gz KNGXNVMGURYWMQ-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001266466394 1082055455 /nfs/dbraw/zinc/05/54/55/1082055455.db2.gz NYMUGPZSJHDMCH-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001271499482 1082064009 /nfs/dbraw/zinc/06/40/09/1082064009.db2.gz MUFFOABJPJMQOH-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001271839042 1082169334 /nfs/dbraw/zinc/16/93/34/1082169334.db2.gz PVLPNZRXKBOLAC-WMZOPIPTSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266749907 1082318539 /nfs/dbraw/zinc/31/85/39/1082318539.db2.gz OGRYLSXILWSQHE-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266758440 1082325733 /nfs/dbraw/zinc/32/57/33/1082325733.db2.gz SUONYZZECWIFDR-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001482603690 1082372844 /nfs/dbraw/zinc/37/28/44/1082372844.db2.gz OHKXXQLKABGTKW-KRWDZBQOSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001272091478 1082461859 /nfs/dbraw/zinc/46/18/59/1082461859.db2.gz VNFRLZPKMNGPEY-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001409767632 1083047744 /nfs/dbraw/zinc/04/77/44/1083047744.db2.gz HVXXWDMTFGSBJP-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001276468390 1083455008 /nfs/dbraw/zinc/45/50/08/1083455008.db2.gz ISMRDLUUZWLDHO-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001276839602 1083640646 /nfs/dbraw/zinc/64/06/46/1083640646.db2.gz KTMQMLBGWCWDIZ-BZSNNMDCSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001276906704 1083673250 /nfs/dbraw/zinc/67/32/50/1083673250.db2.gz WJVMIXGHQUPLAU-QRQLOZEOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151975 1083813089 /nfs/dbraw/zinc/81/30/89/1083813089.db2.gz NYDSIZOSJUXQQY-QFBILLFUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1CC2(C[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277779480 1084145460 /nfs/dbraw/zinc/14/54/60/1084145460.db2.gz IISQXEACLSRNCE-MRXNPFEDSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001671736286 1084163732 /nfs/dbraw/zinc/16/37/32/1084163732.db2.gz RCVPWYUKMVEVJC-LZLYRXPVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCCCCCN1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001235173884 1084336226 /nfs/dbraw/zinc/33/62/26/1084336226.db2.gz FMLAQAJTKCJSQZ-SFHVURJKSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870610 1084400844 /nfs/dbraw/zinc/40/08/44/1084400844.db2.gz RJRWDUORTBXCIQ-IBGZPJMESA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001486129616 1085078800 /nfs/dbraw/zinc/07/88/00/1085078800.db2.gz NKVBHEJKDVOUJL-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC001486233229 1085155481 /nfs/dbraw/zinc/15/54/81/1085155481.db2.gz HGPIIRIBEBELOD-XHSDSOJGSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961286526 1085672140 /nfs/dbraw/zinc/67/21/40/1085672140.db2.gz RTJBIXRNIYIYAJ-ZWKOTPCHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379910 1085711600 /nfs/dbraw/zinc/71/16/00/1085711600.db2.gz WREFQBZFCNZUKZ-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962180707 1085998405 /nfs/dbraw/zinc/99/84/05/1085998405.db2.gz GAPSXBACSOYUIS-PIIMJCKOSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CN1CC[C@]2(CCC[N@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001273100679 1086177054 /nfs/dbraw/zinc/17/70/54/1086177054.db2.gz BJZCQNYVSLRQMU-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCn3cncc3C2)CCC1 ZINC001273106045 1086204082 /nfs/dbraw/zinc/20/40/82/1086204082.db2.gz HDOXBNLNCYCWPY-OAHLLOKOSA-N 2 0 316.449 2.040 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000963800038 1086561004 /nfs/dbraw/zinc/56/10/04/1086561004.db2.gz CLGGZXAFLZHQDU-NYXDSXFPSA-N 2 0 317.477 2.064 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000963902560 1086592079 /nfs/dbraw/zinc/59/20/79/1086592079.db2.gz MGMAAJAJNRTLRS-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000963927428 1086599817 /nfs/dbraw/zinc/59/98/17/1086599817.db2.gz UORVWDLGOMKZCY-APUKJBRXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080017509 1088567312 /nfs/dbraw/zinc/56/73/12/1088567312.db2.gz MCMYFFNUJASQEU-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084768016 1090433232 /nfs/dbraw/zinc/43/32/32/1090433232.db2.gz SEHQGKCIWWQBEF-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001274344923 1091195850 /nfs/dbraw/zinc/19/58/50/1091195850.db2.gz IJWKRXJXXFVENB-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274430120 1091239182 /nfs/dbraw/zinc/23/91/82/1091239182.db2.gz KJVTVTZTMZVXGR-WBXGCANISA-N 2 0 305.466 2.232 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001276100220 1091549956 /nfs/dbraw/zinc/54/99/56/1091549956.db2.gz ZNDXHOJSKBVMNE-HNNXBMFYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948767714 1091924717 /nfs/dbraw/zinc/92/47/17/1091924717.db2.gz ZRNIZCODWHIATH-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001273598695 1091943504 /nfs/dbraw/zinc/94/35/04/1091943504.db2.gz GQAPWOUPYHGSTD-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001273598697 1091944038 /nfs/dbraw/zinc/94/40/38/1091944038.db2.gz GQAPWOUPYHGSTD-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829405 1091960273 /nfs/dbraw/zinc/96/02/73/1091960273.db2.gz MMVPTXHADPJNEK-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC001198002852 1092033451 /nfs/dbraw/zinc/03/34/51/1092033451.db2.gz VODQZKFXAMIRRO-INIZCTEOSA-N 2 0 318.465 2.242 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001275790875 1092126060 /nfs/dbraw/zinc/12/60/60/1092126060.db2.gz HWEGVNXABJXPGS-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275912241 1092296955 /nfs/dbraw/zinc/29/69/55/1092296955.db2.gz KHKAYZASCKXCMS-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCCC[NH+]1CCC2(CC[N@@H+](Cc3cc(C)nn3C)C2)CC1 ZINC001275978405 1092427710 /nfs/dbraw/zinc/42/77/10/1092427710.db2.gz OCXCBTHHTMACCQ-UHFFFAOYSA-N 2 0 314.477 2.430 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001490598315 1093437357 /nfs/dbraw/zinc/43/73/57/1093437357.db2.gz ISGVUTLVDBWCDR-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001490774304 1093521490 /nfs/dbraw/zinc/52/14/90/1093521490.db2.gz IATAQXIGPLRLIT-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCC[N@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236385784 1138357047 /nfs/dbraw/zinc/35/70/47/1138357047.db2.gz HCFMDJOTNMKLIL-UHFFFAOYSA-N 2 0 323.525 2.367 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001278276890 1138872606 /nfs/dbraw/zinc/87/26/06/1138872606.db2.gz ZCJBWZQUIQPPFL-AEFFLSMTSA-N 2 0 319.493 2.149 20 30 DEEDRP CCCCCCCNC(=S)NCCC[N@H+](C)CCC[NH3+] ZINC001239376399 1139031189 /nfs/dbraw/zinc/03/11/89/1139031189.db2.gz UZVTYZKCRLEXBJ-UHFFFAOYSA-N 2 0 302.532 2.092 20 30 DEEDRP CCCCCCCCNC(=S)NCCC[N@H+](C)CCC[NH3+] ZINC001239375353 1139031730 /nfs/dbraw/zinc/03/17/30/1139031730.db2.gz HOHVKNQRMAHMLA-UHFFFAOYSA-N 2 0 316.559 2.482 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491759270 1140299581 /nfs/dbraw/zinc/29/95/81/1140299581.db2.gz TYFMZFVXCAKEEG-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001319132454 1140510400 /nfs/dbraw/zinc/51/04/00/1140510400.db2.gz MUSWGVVQSDKNAG-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001245981091 1140841571 /nfs/dbraw/zinc/84/15/71/1140841571.db2.gz FPWOREOZKHCMME-YESZJQIVSA-N 2 0 300.487 2.048 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246406594 1140894639 /nfs/dbraw/zinc/89/46/39/1140894639.db2.gz QUGDHVKPYLROQE-SQNIBIBYSA-N 2 0 316.424 2.100 20 30 DEEDRP CCCCCCC[C@@H](C)[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246624043 1141008587 /nfs/dbraw/zinc/00/85/87/1141008587.db2.gz DGPJHBRVNYLNOR-CRAIPNDOSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001278460352 1141026364 /nfs/dbraw/zinc/02/63/64/1141026364.db2.gz RGWOMFZYWBXEDJ-PKOBYXMFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246736280 1141048422 /nfs/dbraw/zinc/04/84/22/1141048422.db2.gz WPAKTBIPNSQBAJ-SUTQANCOSA-N 2 0 317.477 2.303 20 30 DEEDRP C=CCOC[C@H]1CCC[C@@]12CN([C@@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246772277 1141056277 /nfs/dbraw/zinc/05/62/77/1141056277.db2.gz ZYIANWFSNXNCFU-BSDSXHPESA-N 2 0 308.466 2.201 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860224 1141894069 /nfs/dbraw/zinc/89/40/69/1141894069.db2.gz OXZSUNOXGCDLGR-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001324470899 1142083989 /nfs/dbraw/zinc/08/39/89/1142083989.db2.gz TXWAOXADEZVQBL-ROUUACIJSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278573725 1142218136 /nfs/dbraw/zinc/21/81/36/1142218136.db2.gz ZNXNMPYNIHBCKR-HOTGVXAUSA-N 2 0 324.428 2.154 20 30 DEEDRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001254638783 1143293405 /nfs/dbraw/zinc/29/34/05/1143293405.db2.gz QLWXXHCMKSLDDG-VQIMIIECSA-N 2 0 312.461 2.216 20 30 DEEDRP CN1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255423018 1143611554 /nfs/dbraw/zinc/61/15/54/1143611554.db2.gz WPCGHYSNALCBRN-FHWLQOOXSA-N 2 0 312.461 2.334 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001341733022 1143687265 /nfs/dbraw/zinc/68/72/65/1143687265.db2.gz NMCWSUHEKNXXPV-QGZVFWFLSA-N 2 0 316.449 2.061 20 30 DEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001341768088 1143698508 /nfs/dbraw/zinc/69/85/08/1143698508.db2.gz PEAVLPUMFJPSSB-SOUVJXGZSA-N 2 0 301.450 2.223 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001264126633 1144476434 /nfs/dbraw/zinc/47/64/34/1144476434.db2.gz VWMNUBPYERXUCG-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001264655576 1144586026 /nfs/dbraw/zinc/58/60/26/1144586026.db2.gz GIKWUGHKIBQOGL-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001264745500 1144604865 /nfs/dbraw/zinc/60/48/65/1144604865.db2.gz IYAIUQWZSFKUCX-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001265370120 1144698980 /nfs/dbraw/zinc/69/89/80/1144698980.db2.gz KSUXPIPIBMIVEH-RHSMWYFYSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001265782445 1144740881 /nfs/dbraw/zinc/74/08/81/1144740881.db2.gz XYSZFLVBCCZQPP-CYBMUJFWSA-N 2 0 309.479 2.484 20 30 DEEDRP C=CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001265862702 1144748656 /nfs/dbraw/zinc/74/86/56/1144748656.db2.gz HWCZZOOLRVINCC-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266010437 1144785004 /nfs/dbraw/zinc/78/50/04/1144785004.db2.gz ISYSMUHFQXZCNQ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266183750 1144812261 /nfs/dbraw/zinc/81/22/61/1144812261.db2.gz PITNJBHDUIPXDD-NVXWUHKLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001266194875 1144813119 /nfs/dbraw/zinc/81/31/19/1144813119.db2.gz JDICHYZSVQFVLL-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266230885 1144816799 /nfs/dbraw/zinc/81/67/99/1144816799.db2.gz VWURVSLQIDDBKY-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001280308900 1144835406 /nfs/dbraw/zinc/83/54/06/1144835406.db2.gz WNHBTVHYWUWQET-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281565897 1144897740 /nfs/dbraw/zinc/89/77/40/1144897740.db2.gz AMOQFOCHBWMIMA-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001282263659 1145026191 /nfs/dbraw/zinc/02/61/91/1145026191.db2.gz PFKCEZQUNYBZQT-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001283557120 1145518139 /nfs/dbraw/zinc/51/81/39/1145518139.db2.gz OOGJKPQZGPPTCE-SFHVURJKSA-N 2 0 315.461 2.374 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001364739108 1145528213 /nfs/dbraw/zinc/52/82/13/1145528213.db2.gz XNEPUFYUTMGPIR-FUHWJXTLSA-N 2 0 304.482 2.171 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001284544900 1145869398 /nfs/dbraw/zinc/86/93/98/1145869398.db2.gz QADHEKXAKOXJNY-SFHVURJKSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001284731502 1145897080 /nfs/dbraw/zinc/89/70/80/1145897080.db2.gz JRFPAGWSVFMNKH-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001290813678 1146843018 /nfs/dbraw/zinc/84/30/18/1146843018.db2.gz DBXAPRFFIJFDBV-UHFFFAOYSA-N 2 0 301.434 2.016 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001366305445 1147200706 /nfs/dbraw/zinc/20/07/06/1147200706.db2.gz HNRXXRDBOKSACD-CQSZACIVSA-N 2 0 315.889 2.345 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001316934133 1147634307 /nfs/dbraw/zinc/63/43/07/1147634307.db2.gz SQHQKSPHIOOQLI-UHFFFAOYSA-N 2 0 321.509 2.445 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316997427 1147646682 /nfs/dbraw/zinc/64/66/82/1147646682.db2.gz FIJJTTOFWMGGOU-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317036568 1147650936 /nfs/dbraw/zinc/65/09/36/1147650936.db2.gz GVMCVHDIPJDUGI-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317112833 1147661314 /nfs/dbraw/zinc/66/13/14/1147661314.db2.gz AJUYBOCTTHEDCN-HRCADAONSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317150164 1147666911 /nfs/dbraw/zinc/66/69/11/1147666911.db2.gz AQDUIXOGIDTROE-HNNXBMFYSA-N 2 0 312.417 2.271 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001324800264 1147846320 /nfs/dbraw/zinc/84/63/20/1147846320.db2.gz YBKSQPHGZOHQSM-GOSISDBHSA-N 2 0 307.482 2.123 20 30 DEEDRP 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 1147973184 /nfs/dbraw/zinc/97/31/84/1147973184.db2.gz BZLIBCMPUNBJRU-BJWYYQGGSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001421765712 1171977491 /nfs/dbraw/zinc/97/74/91/1171977491.db2.gz DZTIJBPDSCADKD-UKRRQHHQSA-N 2 0 315.889 2.201 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001326271850 1148067391 /nfs/dbraw/zinc/06/73/91/1148067391.db2.gz FDRHZCLATGKRAO-WMZOPIPTSA-N 2 0 319.493 2.123 20 30 DEEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423195219 230470995 /nfs/dbraw/zinc/47/09/95/230470995.db2.gz YXMGDLJWCUKJQM-IBGZPJMESA-N 2 0 312.461 2.211 20 30 DEEDRP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000181690160 199339553 /nfs/dbraw/zinc/33/95/53/199339553.db2.gz ALRYGAMHUKJDSE-CVEARBPZSA-N 2 0 300.450 2.092 20 30 DEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786633 357613411 /nfs/dbraw/zinc/61/34/11/357613411.db2.gz JXTRNTLBKROVIB-UHFFFAOYSA-N 2 0 307.482 2.239 20 30 DEEDRP CC[N@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000593915188 358171970 /nfs/dbraw/zinc/17/19/70/358171970.db2.gz SCUPLYOFDXPFOA-MRXNPFEDSA-N 2 0 308.470 2.168 20 30 DEEDRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccsc3C#N)CC2)CC[NH2+]1 ZINC000594735714 358328768 /nfs/dbraw/zinc/32/87/68/358328768.db2.gz NKNHOODBZYYPMF-ZIAGYGMSSA-N 2 0 304.463 2.130 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000458327404 248263534 /nfs/dbraw/zinc/26/35/34/248263534.db2.gz WEFFZXZUMRYLEZ-MRXNPFEDSA-N 2 0 322.497 2.058 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001354500963 1151899461 /nfs/dbraw/zinc/89/94/61/1151899461.db2.gz XEQOQFREWZJHIW-ROUUACIJSA-N 2 0 315.461 2.369 20 30 DEEDRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180171965 207363309 /nfs/dbraw/zinc/36/33/09/207363309.db2.gz FVZICZKANWRJMJ-UHFFFAOYSA-N 2 0 323.444 2.390 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000236684261 402373928 /nfs/dbraw/zinc/37/39/28/402373928.db2.gz ZANUKXNTOANBPX-BRWVUGGUSA-N 2 0 307.482 2.319 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000170910258 402540781 /nfs/dbraw/zinc/54/07/81/402540781.db2.gz LSCXOYGUZWJKAL-HNNXBMFYSA-N 2 0 306.454 2.076 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171723081 402615113 /nfs/dbraw/zinc/61/51/13/402615113.db2.gz RASMFLQOEFRPFQ-JKSUJKDBSA-N 2 0 322.497 2.056 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)N1 ZINC000262639646 402728792 /nfs/dbraw/zinc/72/87/92/402728792.db2.gz HNQYFNZPQIZIGS-GJZGRUSLSA-N 2 0 300.450 2.498 20 30 DEEDRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278351021 402863582 /nfs/dbraw/zinc/86/35/82/402863582.db2.gz ZBODZAOCJTZADA-SFHVURJKSA-N 2 0 300.450 2.236 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280674427 403026076 /nfs/dbraw/zinc/02/60/76/403026076.db2.gz YUJNZAWMRDZTJY-KKUMJFAQSA-N 2 0 318.440 2.460 20 30 DEEDRP C#CCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285895346 403405492 /nfs/dbraw/zinc/40/54/92/403405492.db2.gz KCUTYNAAWWFSHA-FQEVSTJZSA-N 2 0 311.473 2.292 20 30 DEEDRP C=CCN1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286334501 403502487 /nfs/dbraw/zinc/50/24/87/403502487.db2.gz YBTBAPBJAGFWMD-ZDUSSCGKSA-N 2 0 315.417 2.319 20 30 DEEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289360623 403927255 /nfs/dbraw/zinc/92/72/55/403927255.db2.gz HGCWSBDCBBUINB-MRXNPFEDSA-N 2 0 302.466 2.435 20 30 DEEDRP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000350725398 404450588 /nfs/dbraw/zinc/45/05/88/404450588.db2.gz WLBZBAPWBUVGCM-USTZCAOPSA-N 2 0 308.466 2.084 20 30 DEEDRP Cc1nccn1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000329815336 404460933 /nfs/dbraw/zinc/46/09/33/404460933.db2.gz VERHZGBBEZUEEH-CVEARBPZSA-N 2 0 319.453 2.053 20 30 DEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000375908868 404769954 /nfs/dbraw/zinc/76/99/54/404769954.db2.gz ZJIARPVVUZVMKH-IBGZPJMESA-N 2 0 312.461 2.159 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000358980010 404780241 /nfs/dbraw/zinc/78/02/41/404780241.db2.gz NTPPHEDQTMHANI-UHFFFAOYSA-N 2 0 322.497 2.154 20 30 DEEDRP C[NH+](C)CCOCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360881689 404843765 /nfs/dbraw/zinc/84/37/65/404843765.db2.gz AEPSYHYGNARTFA-SFHVURJKSA-N 2 0 301.434 2.494 20 30 DEEDRP C[C@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378310722 404925354 /nfs/dbraw/zinc/92/53/54/404925354.db2.gz CXDNWILBERIMGZ-DLBZAZTESA-N 2 0 306.498 2.274 20 30 DEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424149556 405022526 /nfs/dbraw/zinc/02/25/26/405022526.db2.gz WRIDPHAQTSUVDV-HRCADAONSA-N 2 0 308.470 2.024 20 30 DEEDRP Cc1cc(C[NH3+])cc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000424436706 405094674 /nfs/dbraw/zinc/09/46/74/405094674.db2.gz MQRFSIKWSZYKPZ-UHFFFAOYSA-N 2 0 317.437 2.153 20 30 DEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000354100179 405043608 /nfs/dbraw/zinc/04/36/08/405043608.db2.gz KEMORMVHZBINSV-GOSISDBHSA-N 2 0 301.434 2.491 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)OCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000491819885 406735960 /nfs/dbraw/zinc/73/59/60/406735960.db2.gz PJYSAXWHIPJNSY-UHFFFAOYSA-N 2 0 314.429 2.007 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)N1 ZINC000262642872 225280808 /nfs/dbraw/zinc/28/08/08/225280808.db2.gz IEUNGVXYQBDEDV-OAHLLOKOSA-N 2 0 300.450 2.356 20 30 DEEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001355067118 1151977691 /nfs/dbraw/zinc/97/76/91/1151977691.db2.gz QJYHJIGNSRANSG-DOTOQJQBSA-N 2 0 320.481 2.026 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C(C)C ZINC000653110489 425408101 /nfs/dbraw/zinc/40/81/01/425408101.db2.gz KGXNYFFMOLDUSM-OKZBNKHCSA-N 2 0 319.493 2.332 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662739192 425726553 /nfs/dbraw/zinc/72/65/53/425726553.db2.gz DECNKCPQGRJJDC-WMZOPIPTSA-N 2 0 305.466 2.162 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2cccc(C[NH+]3CCCCCC3)c2)N1 ZINC000262643443 279895276 /nfs/dbraw/zinc/89/52/76/279895276.db2.gz IHVJJUDKIFTNFL-HNNXBMFYSA-N 2 0 300.450 2.500 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423636112 1173458783 /nfs/dbraw/zinc/45/87/83/1173458783.db2.gz LDWQCAIEUKIYKC-GDBMZVCRSA-N 2 0 313.873 2.051 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327450248 1148558500 /nfs/dbraw/zinc/55/85/00/1148558500.db2.gz XVRUFJNKFHJAIG-QGZVFWFLSA-N 2 0 319.493 2.243 20 30 DEEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(C)C[C@H]1CCOC1 ZINC000261730944 526348187 /nfs/dbraw/zinc/34/81/87/526348187.db2.gz YEGYFSDMIFAECC-JKSUJKDBSA-N 2 0 324.513 2.041 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262194140 526371542 /nfs/dbraw/zinc/37/15/42/526371542.db2.gz GLCQWGPDZQLFPE-MWDXBVQZSA-N 2 0 306.498 2.462 20 30 DEEDRP C[NH+]=C(NCc1ncccc1C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262815878 526391024 /nfs/dbraw/zinc/39/10/24/526391024.db2.gz WLZIUPDBJILSBM-MQVJKMGUSA-N 2 0 315.465 2.070 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262533710 526575020 /nfs/dbraw/zinc/57/50/20/526575020.db2.gz OSCUHKXKKVDELT-UHFFFAOYSA-N 2 0 310.511 2.219 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264122943 526575790 /nfs/dbraw/zinc/57/57/90/526575790.db2.gz VPZDVSRMYQBPIN-KRWDZBQOSA-N 2 0 300.450 2.031 20 30 DEEDRP C=CCOCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000348050499 526750849 /nfs/dbraw/zinc/75/08/49/526750849.db2.gz KCEUKSCFRTWNOF-UHFFFAOYSA-N 2 0 310.482 2.404 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000294909087 526830391 /nfs/dbraw/zinc/83/03/91/526830391.db2.gz GCXCXLDPNBNCTA-QGZVFWFLSA-N 2 0 317.477 2.233 20 30 DEEDRP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000341877569 527077418 /nfs/dbraw/zinc/07/74/18/527077418.db2.gz LXONUDPDILPUQV-GOSISDBHSA-N 2 0 302.462 2.468 20 30 DEEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000264101538 528173528 /nfs/dbraw/zinc/17/35/28/528173528.db2.gz OETOMVXGLQGJMA-OAHLLOKOSA-N 2 0 317.481 2.173 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCSC(C)(C)C2)C1 ZINC000261755583 528256289 /nfs/dbraw/zinc/25/62/89/528256289.db2.gz CMRWTUHIEAVZDX-CQSZACIVSA-N 2 0 312.527 2.121 20 30 DEEDRP CCCCNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264276914 528450159 /nfs/dbraw/zinc/45/01/59/528450159.db2.gz MVDQCKFNOQQTGA-UHFFFAOYSA-N 2 0 306.454 2.222 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccnc1)C(C)C ZINC000267595749 529073356 /nfs/dbraw/zinc/07/33/56/529073356.db2.gz VZEDGSNCWQRILI-IAGOWNOFSA-N 2 0 317.481 2.210 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(C)(C)C)cs1 ZINC000267393858 529100531 /nfs/dbraw/zinc/10/05/31/529100531.db2.gz DNLHJWSNWFHZGB-LBPRGKRZSA-N 2 0 323.510 2.329 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000267436120 529101367 /nfs/dbraw/zinc/10/13/67/529101367.db2.gz NUWWQIIYHHYSKD-KBPBESRZSA-N 2 0 308.495 2.315 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001026327768 625306392 /nfs/dbraw/zinc/30/63/92/625306392.db2.gz BIVXBKGTAIVDJO-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[NH+]2CCCC2)c1 ZINC000170907875 625472375 /nfs/dbraw/zinc/47/23/75/625472375.db2.gz ARBQBBICRQKKBE-UHFFFAOYSA-N 2 0 320.437 2.306 20 30 DEEDRP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144901 622589268 /nfs/dbraw/zinc/58/92/68/622589268.db2.gz WCDZEKWQYSPZBX-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970017144 623056340 /nfs/dbraw/zinc/05/63/40/623056340.db2.gz UTWCTTHVEANPHM-CYBMUJFWSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970163620 623209171 /nfs/dbraw/zinc/20/91/71/623209171.db2.gz NICWJDIVQVVKBK-CQSZACIVSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970911649 623786161 /nfs/dbraw/zinc/78/61/61/623786161.db2.gz BAHNDWYYJYTDOG-HNNXBMFYSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001022082050 624193912 /nfs/dbraw/zinc/19/39/12/624193912.db2.gz VBBVKGYTHBPEDT-ZACQAIPSSA-N 2 0 319.493 2.454 20 30 DEEDRP 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 624860106 /nfs/dbraw/zinc/86/01/06/624860106.db2.gz KCCDWSHQSHKNGI-VBQJREDUSA-N 2 0 311.445 2.012 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)CC1 ZINC000893021338 625057207 /nfs/dbraw/zinc/05/72/07/625057207.db2.gz BNCHIKPPDCXXIX-SJLPKXTDSA-N 2 0 319.493 2.053 20 30 DEEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000161503919 625103754 /nfs/dbraw/zinc/10/37/54/625103754.db2.gz GTDWSXRKYBVAHO-QGZVFWFLSA-N 2 0 318.465 2.110 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001023402665 625255653 /nfs/dbraw/zinc/25/56/53/625255653.db2.gz QKUAZRXWHVUIGN-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024613949 625930088 /nfs/dbraw/zinc/93/00/88/625930088.db2.gz DVBXVRFCADQDSP-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC000995984726 633153932 /nfs/dbraw/zinc/15/39/32/633153932.db2.gz KOBSINZMIAOZQF-INIZCTEOSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC000995999714 633158737 /nfs/dbraw/zinc/15/87/37/633158737.db2.gz ZLKYHPJSGVVPQU-CVEARBPZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996299938 633232116 /nfs/dbraw/zinc/23/21/16/633232116.db2.gz HCGYAGWJSVEPGT-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC000996381371 633250948 /nfs/dbraw/zinc/25/09/48/633250948.db2.gz VBPZTZAOOPDYFK-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000996534598 633276221 /nfs/dbraw/zinc/27/62/21/633276221.db2.gz SVVCIVHBRIDWOL-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974769255 633294505 /nfs/dbraw/zinc/29/45/05/633294505.db2.gz XBWOABOBWTVWNL-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865807 633340652 /nfs/dbraw/zinc/34/06/52/633340652.db2.gz VQJBYTOXFKBOQM-DLBZAZTESA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997204615 633674616 /nfs/dbraw/zinc/67/46/16/633674616.db2.gz CBYRBXIYUJMIKQ-OAHLLOKOSA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505114 633915747 /nfs/dbraw/zinc/91/57/47/633915747.db2.gz KEJYHKFTJONBBM-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486778 635018513 /nfs/dbraw/zinc/01/85/13/635018513.db2.gz XAJUTMJOERDYON-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003004 635213397 /nfs/dbraw/zinc/21/33/97/635213397.db2.gz JSIVHJDJVNXSCO-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000887972 635330053 /nfs/dbraw/zinc/33/00/53/635330053.db2.gz WHTCYLFTRUFIGO-GOSISDBHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000908154 635338862 /nfs/dbraw/zinc/33/88/62/635338862.db2.gz ADIHFAFICLYCQN-UHFFFAOYSA-N 2 0 310.401 2.272 20 30 DEEDRP C=C(Cl)CN1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981197567 635358382 /nfs/dbraw/zinc/35/83/82/635358382.db2.gz IYZWBAMBBKWFNE-LSDHHAIUSA-N 2 0 313.873 2.004 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(C)C)C2)CC1 ZINC000981540554 635522401 /nfs/dbraw/zinc/52/24/01/635522401.db2.gz DTZCLGUSKUAGKD-MSOLQXFVSA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001001536914 635523890 /nfs/dbraw/zinc/52/38/90/635523890.db2.gz HQHKQNYIYHNRSM-UHFFFAOYSA-N 2 0 310.401 2.028 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981841448 635684376 /nfs/dbraw/zinc/68/43/76/635684376.db2.gz CRBQRMYKRHSIAS-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002809512 635802113 /nfs/dbraw/zinc/80/21/13/635802113.db2.gz HFQLATMOUWSWQS-RDJZCZTQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982013283 635810668 /nfs/dbraw/zinc/81/06/68/635810668.db2.gz PPMHSZOZQIQLFZ-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982161871 635889877 /nfs/dbraw/zinc/88/98/77/635889877.db2.gz AQLHUAQVKQKMFR-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230720 635925338 /nfs/dbraw/zinc/92/53/38/635925338.db2.gz QRSBESZDGNNNLG-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001003736430 636042088 /nfs/dbraw/zinc/04/20/88/636042088.db2.gz RMWLDHFPTYJKJX-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003941433 636089833 /nfs/dbraw/zinc/08/98/33/636089833.db2.gz ZUXZGMBSHNLTHY-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028335097 636136429 /nfs/dbraw/zinc/13/64/29/636136429.db2.gz NQNLGRXBTGEGHL-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004618356 636503385 /nfs/dbraw/zinc/50/33/85/636503385.db2.gz VWLWNDRASNNFKS-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001006088534 637189596 /nfs/dbraw/zinc/18/95/96/637189596.db2.gz SEQITBJAPUHWAZ-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)CC#N)cc2)CC1 ZINC000839163508 637819598 /nfs/dbraw/zinc/81/95/98/637819598.db2.gz NSPDYSZDVUMELO-UHFFFAOYSA-N 2 0 300.450 2.468 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000985742599 639611167 /nfs/dbraw/zinc/61/11/67/639611167.db2.gz GALKJURGNYZCPB-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C(=NNCC[NH+]1CCCCC1)c1ccc(N2CCCC2)nc1 ZINC000758372096 639952228 /nfs/dbraw/zinc/95/22/28/639952228.db2.gz HMEYBNJWBVLUKU-UHFFFAOYSA-N 2 0 301.438 2.091 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC000987566533 640224495 /nfs/dbraw/zinc/22/44/95/640224495.db2.gz BTCPMTIYSIIPNQ-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000764146904 640611041 /nfs/dbraw/zinc/61/10/41/640611041.db2.gz QSZNFXQKNYFYOE-QGZVFWFLSA-N 2 0 301.434 2.058 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000764578292 640657500 /nfs/dbraw/zinc/65/75/00/640657500.db2.gz RIMNCYFCHVUINL-QGZVFWFLSA-N 2 0 315.461 2.227 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433514 641207765 /nfs/dbraw/zinc/20/77/65/641207765.db2.gz KQTYDZXCYXEXEG-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000989728099 641211436 /nfs/dbraw/zinc/21/14/36/641211436.db2.gz AXBUEENHJYGJQW-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000900453664 642375400 /nfs/dbraw/zinc/37/54/00/642375400.db2.gz OCFDMUAEQZLKEW-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000900684739 642444056 /nfs/dbraw/zinc/44/40/56/642444056.db2.gz FNWHCSNAEVUTIJ-UHFFFAOYSA-N 2 0 319.449 2.210 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000900978052 642529921 /nfs/dbraw/zinc/52/99/21/642529921.db2.gz AYROOBBSBCWXOR-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)cc1 ZINC000902475333 643042352 /nfs/dbraw/zinc/04/23/52/643042352.db2.gz IUILIOJCMGQSRI-CEXWTWQISA-N 2 0 310.445 2.005 20 30 DEEDRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902794729 643148167 /nfs/dbraw/zinc/14/81/67/643148167.db2.gz YPHRVVAMFRRRQI-YJBOKZPZSA-N 2 0 300.450 2.235 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000911913800 645877057 /nfs/dbraw/zinc/87/70/57/645877057.db2.gz GSWSTNIIHFPJET-IBGZPJMESA-N 2 0 315.461 2.275 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185645 646891961 /nfs/dbraw/zinc/89/19/61/646891961.db2.gz CGKZYVMQGXOLRC-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992194294 646896319 /nfs/dbraw/zinc/89/63/19/646896319.db2.gz XMTAAQMQKMZYOB-XYJFISCASA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992435475 647000577 /nfs/dbraw/zinc/00/05/77/647000577.db2.gz UWEWBRRWLBJQOM-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)cccc1C ZINC000153437603 647462096 /nfs/dbraw/zinc/46/20/96/647462096.db2.gz QHCLFNPBZFQBLR-MRXNPFEDSA-N 2 0 302.466 2.235 20 30 DEEDRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000818971106 647553594 /nfs/dbraw/zinc/55/35/94/647553594.db2.gz YEWZRLOAXDGPRZ-CRAIPNDOSA-N 2 0 301.434 2.303 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993619003 647708246 /nfs/dbraw/zinc/70/82/46/647708246.db2.gz WCUOAIIERDDLFU-PBHICJAKSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994134672 647791947 /nfs/dbraw/zinc/79/19/47/647791947.db2.gz PORDLELOVZQWKD-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000939505414 648669996 /nfs/dbraw/zinc/66/99/96/648669996.db2.gz FGMSCJZKJXKPKG-MAUKXSAKSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785077 648941529 /nfs/dbraw/zinc/94/15/29/648941529.db2.gz HBFGFMLNZGVSJO-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896064 648964594 /nfs/dbraw/zinc/96/45/94/648964594.db2.gz RVIXMQQIRYJZGN-QGZVFWFLSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027311 648988468 /nfs/dbraw/zinc/98/84/68/648988468.db2.gz VFKUNFJZYAWHGB-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942301537 649200680 /nfs/dbraw/zinc/20/06/80/649200680.db2.gz GWBWXSRUIGGCMP-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943514983 649387036 /nfs/dbraw/zinc/38/70/36/649387036.db2.gz DRZNZZNOMFUXSI-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C#Cc1cccnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000853244007 652528589 /nfs/dbraw/zinc/52/85/89/652528589.db2.gz BSAMCMMWFOIPEJ-UHFFFAOYSA-N 2 0 321.428 2.082 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCSCC(C)C ZINC000305286474 685286989 /nfs/dbraw/zinc/28/69/89/685286989.db2.gz FDVXWRYYCRICIZ-CQSZACIVSA-N 2 0 300.516 2.154 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCSC(C)(C)C1 ZINC000126854968 684157587 /nfs/dbraw/zinc/15/75/87/684157587.db2.gz YGHPZTZCXFKYKG-AWEZNQCLSA-N 2 0 324.538 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154761 693865353 /nfs/dbraw/zinc/86/53/53/693865353.db2.gz VOUWVMYPWWNNCE-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191937 693876237 /nfs/dbraw/zinc/87/62/37/693876237.db2.gz PDTRJKYTAOWKLH-IEBWSBKVSA-N 2 0 321.509 2.463 20 30 DEEDRP CCO[C@H](CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)C1CCCC1 ZINC000304473881 685255219 /nfs/dbraw/zinc/25/52/19/685255219.db2.gz FUSPKGBQBFCNAR-IAGOWNOFSA-N 2 0 324.513 2.360 20 30 DEEDRP N#Cc1cc(F)ccc1N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000866702814 687658269 /nfs/dbraw/zinc/65/82/69/687658269.db2.gz HASYDJKXIBCQFX-UHFFFAOYSA-N 2 0 304.413 2.338 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016752924 687695881 /nfs/dbraw/zinc/69/58/81/687695881.db2.gz BTRFUKSAWSELBT-IRXDYDNUSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761221 687697844 /nfs/dbraw/zinc/69/78/44/687697844.db2.gz HZGBMZNREPUXQM-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016931965 687736464 /nfs/dbraw/zinc/73/64/64/687736464.db2.gz ZFHLVXGCKUGULX-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823894 694250077 /nfs/dbraw/zinc/25/00/77/694250077.db2.gz YBMRGYDTGLBBRJ-UHFFFAOYSA-N 2 0 313.445 2.472 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001032433220 689149494 /nfs/dbraw/zinc/14/94/94/689149494.db2.gz LVZALCFDHUEGNT-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699611 689588756 /nfs/dbraw/zinc/58/87/56/689588756.db2.gz ONNIHTNSCVRUPY-OAHLLOKOSA-N 2 0 319.449 2.454 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875246528 689594970 /nfs/dbraw/zinc/59/49/70/689594970.db2.gz HIXSOOFZNCGOCI-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257539 689784480 /nfs/dbraw/zinc/78/44/80/689784480.db2.gz KNUMQDBOSYVNLW-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257537 689784647 /nfs/dbraw/zinc/78/46/47/689784647.db2.gz KNUMQDBOSYVNLW-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034462907 689858515 /nfs/dbraw/zinc/85/85/15/689858515.db2.gz QBRVMVRETHXASC-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000876712904 689912072 /nfs/dbraw/zinc/91/20/72/689912072.db2.gz FEUPLTLMJLRTRP-MRXNPFEDSA-N 2 0 321.852 2.369 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000876724706 689916208 /nfs/dbraw/zinc/91/62/08/689916208.db2.gz GKGDLYFYULXAKU-ZIAGYGMSSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000876778982 689934862 /nfs/dbraw/zinc/93/48/62/689934862.db2.gz UBDMHHHTKFYENS-ZBFHGGJFSA-N 2 0 323.868 2.483 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876875741 689961030 /nfs/dbraw/zinc/96/10/30/689961030.db2.gz YYHWHJIBADKTSB-HOTGVXAUSA-N 2 0 321.852 2.189 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000877200374 690043608 /nfs/dbraw/zinc/04/36/08/690043608.db2.gz KSHQIAKEHZLDPY-AWEZNQCLSA-N 2 0 301.862 2.083 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223670 690065084 /nfs/dbraw/zinc/06/50/84/690065084.db2.gz UYCCIROIIMNSPV-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877298951 690070789 /nfs/dbraw/zinc/07/07/89/690070789.db2.gz GZQHDJAVPMAKJY-CQSZACIVSA-N 2 0 313.873 2.323 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001037904794 690637584 /nfs/dbraw/zinc/63/75/84/690637584.db2.gz LOMGMTFZNNENFM-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039116092 691024234 /nfs/dbraw/zinc/02/42/34/691024234.db2.gz QLYFZTQBXNSLQD-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173385 691039190 /nfs/dbraw/zinc/03/91/90/691039190.db2.gz VMNQKKFGHABXCQ-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224224 691060291 /nfs/dbraw/zinc/06/02/91/691060291.db2.gz DPODJPWFCBHANA-IAGOWNOFSA-N 2 0 316.449 2.162 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039244321 691066711 /nfs/dbraw/zinc/06/67/11/691066711.db2.gz XRBCWVHIWYIBNH-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039289728 691075624 /nfs/dbraw/zinc/07/56/24/691075624.db2.gz XTZDAHWUBVDAFB-HMQMGEFJSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040241438 691218917 /nfs/dbraw/zinc/21/89/17/691218917.db2.gz OVKSYCIXRBJFEH-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040542926 691263430 /nfs/dbraw/zinc/26/34/30/691263430.db2.gz GRAFEUBGJMFHBH-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001040729182 691282730 /nfs/dbraw/zinc/28/27/30/691282730.db2.gz DOPVRFIGAYUTAS-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041307013 691359169 /nfs/dbraw/zinc/35/91/69/691359169.db2.gz MKLAURNOOMZXIV-SCTDSRPQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000883172305 691447632 /nfs/dbraw/zinc/44/76/32/691447632.db2.gz CWQOWXTXRYISFF-ZWKOTPCHSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CCCO1 ZINC000883186266 691452353 /nfs/dbraw/zinc/45/23/53/691452353.db2.gz OJHKFOCOQUUIEZ-QZTJIDSGSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063532 691495260 /nfs/dbraw/zinc/49/52/60/691495260.db2.gz YNYFLAYSTTUAMC-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042122416 691514161 /nfs/dbraw/zinc/51/41/61/691514161.db2.gz NHRUOOCBUAHJEX-YJBOKZPZSA-N 2 0 324.428 2.365 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156062 691524414 /nfs/dbraw/zinc/52/44/14/691524414.db2.gz GKBGHXLZFHINNG-QAPCUYQASA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044734968 691879744 /nfs/dbraw/zinc/87/97/44/691879744.db2.gz YJUXAIMEXFSSPG-UKRRQHHQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)CN1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046314247 692149473 /nfs/dbraw/zinc/14/94/73/692149473.db2.gz ABWKSMHAUQZLLB-ZBFHGGJFSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560903 692647277 /nfs/dbraw/zinc/64/72/77/692647277.db2.gz XVWMSSUUQIJJPL-VBUUOAMHSA-N 2 0 319.493 2.264 20 30 DEEDRP 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 692648391 /nfs/dbraw/zinc/64/83/91/692648391.db2.gz QBFOLAHISXCNDE-IECFSIQFSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001048590670 692655578 /nfs/dbraw/zinc/65/55/78/692655578.db2.gz VUIXGMOYJPZGJR-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001049001531 692740840 /nfs/dbraw/zinc/74/08/40/692740840.db2.gz XVPFCEWESNJQMC-OKZBNKHCSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235653 692796350 /nfs/dbraw/zinc/79/63/50/692796350.db2.gz QJSLNHBZYDVEIY-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719849 692974288 /nfs/dbraw/zinc/97/42/88/692974288.db2.gz UIOMYZFTRCGXMT-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049920602 693047832 /nfs/dbraw/zinc/04/78/32/693047832.db2.gz SOLDRGAYBIHKDW-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050543762 693204427 /nfs/dbraw/zinc/20/44/27/693204427.db2.gz LMJYKNRQYSQSIL-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001050664655 693227711 /nfs/dbraw/zinc/22/77/11/693227711.db2.gz PJAMVQCFOHAGPQ-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000926784202 693510839 /nfs/dbraw/zinc/51/08/39/693510839.db2.gz DHCJDXUTWWNYNI-XEWABKELSA-N 2 0 324.472 2.457 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052367844 693516011 /nfs/dbraw/zinc/51/60/11/693516011.db2.gz BYVSQJGYHCQKIO-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590747 693573929 /nfs/dbraw/zinc/57/39/29/693573929.db2.gz FZYDAGGYPOFXLO-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052712291 693601158 /nfs/dbraw/zinc/60/11/58/693601158.db2.gz GRJGUGLEVOOJQS-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765193 693614732 /nfs/dbraw/zinc/61/47/32/693614732.db2.gz WYOJYHPOEACKTC-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820340 693625503 /nfs/dbraw/zinc/62/55/03/693625503.db2.gz OBXHWWCJSSSWBS-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052866017 693636929 /nfs/dbraw/zinc/63/69/29/693636929.db2.gz UDFDZTCVHWZCSC-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001402416065 1162349646 /nfs/dbraw/zinc/34/96/46/1162349646.db2.gz JHGUJDDOJLPVSQ-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001380159541 1152759507 /nfs/dbraw/zinc/75/95/07/1152759507.db2.gz YDKGOVGTINQLLY-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001392197057 1156888295 /nfs/dbraw/zinc/88/82/95/1156888295.db2.gz VDZGLTXMCWDRLP-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376967670 1159859125 /nfs/dbraw/zinc/85/91/25/1159859125.db2.gz HYCRMQBRCHCCHB-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001403951950 1163325392 /nfs/dbraw/zinc/32/53/92/1163325392.db2.gz BKMJJYNIMJCJFT-QWHCGFSZSA-N 2 0 303.878 2.200 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001405969325 1164363673 /nfs/dbraw/zinc/36/36/73/1164363673.db2.gz MIWFHAGTTJKWJU-HIFRSBDPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001407703398 1165264935 /nfs/dbraw/zinc/26/49/35/1165264935.db2.gz TXNYYQKVGLBWKG-SHTZXODSSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001419828263 1168863946 /nfs/dbraw/zinc/86/39/46/1168863946.db2.gz UDJIJDMWJDKBHG-HIFRSBDPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001420811679 1171192170 /nfs/dbraw/zinc/19/21/70/1171192170.db2.gz ZOIUUZWNUHJHHL-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001424180775 1173687466 /nfs/dbraw/zinc/68/74/66/1173687466.db2.gz UOMZQDAMGLASBD-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001438805699 1180818349 /nfs/dbraw/zinc/81/83/49/1180818349.db2.gz QHMGXGWBSFFRDU-LSDHHAIUSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001440670219 1181636187 /nfs/dbraw/zinc/63/61/87/1181636187.db2.gz BAVXVONIYQGVGZ-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444880891 1183617201 /nfs/dbraw/zinc/61/72/01/1183617201.db2.gz AJBZHYCZAJVTPI-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332221156 1149837490 /nfs/dbraw/zinc/83/74/90/1149837490.db2.gz WZZYUCNBWYAKJT-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001332300099 1149846613 /nfs/dbraw/zinc/84/66/13/1149846613.db2.gz DPIXOBZCYAOSBM-WBVHZDCISA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106340191 782662599 /nfs/dbraw/zinc/66/25/99/782662599.db2.gz OMZRXMXFOCQQED-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336815 782786062 /nfs/dbraw/zinc/78/60/62/782786062.db2.gz YIXSYQSPQNQEFN-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106592367 782802289 /nfs/dbraw/zinc/80/22/89/782802289.db2.gz PXGYEZQPVDQSOV-BRWVUGGUSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600449 782805112 /nfs/dbraw/zinc/80/51/12/782805112.db2.gz ZKEXBNREYRWBPE-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672749 782844582 /nfs/dbraw/zinc/84/45/82/782844582.db2.gz IPZYBVAJMWBLFH-HZPDHXFCSA-N 2 0 309.498 2.225 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106776396 782929771 /nfs/dbraw/zinc/92/97/71/782929771.db2.gz KVJDVHLMQIOYRJ-KURKYZTESA-N 2 0 321.509 2.060 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C[C@H]1C ZINC000947435685 783136168 /nfs/dbraw/zinc/13/61/68/783136168.db2.gz BGQCGZCJMKXLNE-HZPDHXFCSA-N 2 0 318.465 2.472 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2CC[C@H]3[NH3+])cc1 ZINC001170984142 790377246 /nfs/dbraw/zinc/37/72/46/790377246.db2.gz NTEFGKRZFVIEHX-OAHLLOKOSA-N 2 0 309.369 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355182 777113495 /nfs/dbraw/zinc/11/34/95/777113495.db2.gz QPACYIMJMOUAPS-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924993 778257500 /nfs/dbraw/zinc/25/75/00/778257500.db2.gz WNOUIRKZSOLDMD-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524425 778483007 /nfs/dbraw/zinc/48/30/07/778483007.db2.gz NMUAGYYNHZQFIG-SCTDSRPQSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457430 790667226 /nfs/dbraw/zinc/66/72/26/790667226.db2.gz PYPGFNBPXCGYQX-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129273 779717186 /nfs/dbraw/zinc/71/71/86/779717186.db2.gz FUZKVMIPWUIGFH-SQNIBIBYSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000985475465 779859988 /nfs/dbraw/zinc/85/99/88/779859988.db2.gz VNAXHMGVJWVBMZ-UHFFFAOYSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001088315149 779939296 /nfs/dbraw/zinc/93/92/96/779939296.db2.gz PSZLXSUMPFJLTG-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001088333455 779978448 /nfs/dbraw/zinc/97/84/48/779978448.db2.gz KJTURWYRAAWGBA-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336822 779988402 /nfs/dbraw/zinc/98/84/02/779988402.db2.gz NLDUXPFSYSHAHO-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088395045 780066480 /nfs/dbraw/zinc/06/64/80/780066480.db2.gz WBHNVYQNTNOZDU-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088424667 780106458 /nfs/dbraw/zinc/10/64/58/780106458.db2.gz CLDZQDXHFCPINF-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621345 780659886 /nfs/dbraw/zinc/65/98/86/780659886.db2.gz ADIDSLUJYRFRFJ-IKGGRYGDSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203431432 780774291 /nfs/dbraw/zinc/77/42/91/780774291.db2.gz HKEADYWVPGLCBK-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320956 780837083 /nfs/dbraw/zinc/83/70/83/780837083.db2.gz WPEYLVSFPOIYOB-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947883133 783257327 /nfs/dbraw/zinc/25/73/27/783257327.db2.gz YYFIFVAKDXTQFH-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948244723 783390589 /nfs/dbraw/zinc/39/05/89/783390589.db2.gz IYSIAIMGCJTLDE-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364328 783439819 /nfs/dbraw/zinc/43/98/19/783439819.db2.gz DLPNQCUXQSFNHF-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085389482 783666912 /nfs/dbraw/zinc/66/69/12/783666912.db2.gz KOIBZDONDAXSNR-KURKYZTESA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001085432080 783680497 /nfs/dbraw/zinc/68/04/97/783680497.db2.gz HJVLMQQPTGWGHF-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905029 783811859 /nfs/dbraw/zinc/81/18/59/783811859.db2.gz WVCBGJRCVAHHBP-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085987700 784283609 /nfs/dbraw/zinc/28/36/09/784283609.db2.gz JJQDRIWDBPMIKM-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968863231 784625309 /nfs/dbraw/zinc/62/53/09/784625309.db2.gz BIVQQBMBKKTVLU-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014338 784690296 /nfs/dbraw/zinc/69/02/96/784690296.db2.gz YBGCMHBQOJDQGW-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP 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 785009116 /nfs/dbraw/zinc/00/91/16/785009116.db2.gz GDJQGUVDJANGGR-KSWRQPAISA-N 2 0 305.466 2.014 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007956917 785058500 /nfs/dbraw/zinc/05/85/00/785058500.db2.gz ZNVAVWSNAKOUAV-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834415 785560327 /nfs/dbraw/zinc/56/03/27/785560327.db2.gz NJQYXIDSTHTSJA-BZSNNMDCSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821278 785561276 /nfs/dbraw/zinc/56/12/76/785561276.db2.gz GRBDVVWQXXCBLC-ULQDDVLXSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828487 785567276 /nfs/dbraw/zinc/56/72/76/785567276.db2.gz QOYLBFLKFSOQKF-KSZLIROESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001113682484 786758138 /nfs/dbraw/zinc/75/81/38/786758138.db2.gz DHAVNOAIRGWOGD-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723127 786779967 /nfs/dbraw/zinc/77/99/67/786779967.db2.gz LOBLOZQMEPEZKT-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014903462 786799161 /nfs/dbraw/zinc/79/91/61/786799161.db2.gz APHSMTYHWVCJQP-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132365783 788042788 /nfs/dbraw/zinc/04/27/88/788042788.db2.gz PZGUEFSRNJQVPP-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517355 788105886 /nfs/dbraw/zinc/10/58/86/788105886.db2.gz BGOXFWVKCSUPED-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132937250 788231338 /nfs/dbraw/zinc/23/13/38/788231338.db2.gz IZMFQMRKKBNELJ-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133162387 788303831 /nfs/dbraw/zinc/30/38/31/788303831.db2.gz LWSJYAOHTQGZFM-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133313729 788365513 /nfs/dbraw/zinc/36/55/13/788365513.db2.gz JNRVBYKPZUANPA-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729101 789051306 /nfs/dbraw/zinc/05/13/06/789051306.db2.gz FMKLYBCHILTQSM-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181603 789234223 /nfs/dbraw/zinc/23/42/23/789234223.db2.gz RSBILKUGUQAPAA-UONOGXRCSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086731209 789240533 /nfs/dbraw/zinc/24/05/33/789240533.db2.gz BIORNJJITKFMGU-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135900805 789552241 /nfs/dbraw/zinc/55/22/41/789552241.db2.gz BETPJIGBYPLBNJ-JKSUJKDBSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCC2)CC1 ZINC001146610600 791322432 /nfs/dbraw/zinc/32/24/32/791322432.db2.gz KPWMEQRVXFTCSU-JKSUJKDBSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216788 791712717 /nfs/dbraw/zinc/71/27/17/791712717.db2.gz RQKQCUICTMOKNC-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477139 791752296 /nfs/dbraw/zinc/75/22/96/791752296.db2.gz KCRWBLBSUDBNAR-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477140 791752489 /nfs/dbraw/zinc/75/24/89/791752489.db2.gz KCRWBLBSUDBNAR-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098923498 791985530 /nfs/dbraw/zinc/98/55/30/791985530.db2.gz PJZOQENOUMOXTK-LPHOPBHVSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092720974 792118472 /nfs/dbraw/zinc/11/84/72/792118472.db2.gz BCVNXBQSANSSHC-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093098567 792233977 /nfs/dbraw/zinc/23/39/77/792233977.db2.gz ZMHNEUZRILMQND-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP 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 792240354 /nfs/dbraw/zinc/24/03/54/792240354.db2.gz FRTXRIHMASDQBV-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785543 792846816 /nfs/dbraw/zinc/84/68/16/792846816.db2.gz PDZLGEHIQAMCCZ-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101031881 792975429 /nfs/dbraw/zinc/97/54/29/792975429.db2.gz YHEUHGJUTCPHSM-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP 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 793174323 /nfs/dbraw/zinc/17/43/23/793174323.db2.gz ZRNJLABXSFBLBU-SCTDSRPQSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001101550636 793226667 /nfs/dbraw/zinc/22/66/67/793226667.db2.gz SPDCYNUGCWQWLW-MRXNPFEDSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001101576203 793241913 /nfs/dbraw/zinc/24/19/13/793241913.db2.gz XDBYNLODLSSDTM-KRWDZBQOSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001101588581 793252636 /nfs/dbraw/zinc/25/26/36/793252636.db2.gz SRKDIRRJVIAGSA-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C[C@H](CCCC#N)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001172476818 793425560 /nfs/dbraw/zinc/42/55/60/793425560.db2.gz QWEYMMGFSAXVIW-GOSISDBHSA-N 2 0 314.477 2.476 20 30 DEEDRP COC(=O)[C@@H]1CCC[C@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001172610174 793453826 /nfs/dbraw/zinc/45/38/26/793453826.db2.gz IKOHUEIBJQHFIJ-SJORKVTESA-N 2 0 317.433 2.385 20 30 DEEDRP C[NH+](C)CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968705 793546281 /nfs/dbraw/zinc/54/62/81/793546281.db2.gz SBOVUJZDZMCIPA-CABCVRRESA-N 2 0 324.469 2.209 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366893 793588146 /nfs/dbraw/zinc/58/81/46/793588146.db2.gz UDQVAJBKWPVQHL-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC[NH+](CC)CCN1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173592150 793774807 /nfs/dbraw/zinc/77/48/07/793774807.db2.gz ICPACQQUFVSTFK-UHFFFAOYSA-N 2 0 306.498 2.418 20 30 DEEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444953 794095472 /nfs/dbraw/zinc/09/54/72/794095472.db2.gz REGXSFKSMIMATG-YUELXQCFSA-N 2 0 315.889 2.153 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753798 794497194 /nfs/dbraw/zinc/49/71/94/794497194.db2.gz NJRATNULNRKCMX-ROUUACIJSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001111899888 794520233 /nfs/dbraw/zinc/52/02/33/794520233.db2.gz XFRINJJYGGFZEK-MPGHIAIKSA-N 2 0 316.449 2.135 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115563635 794823124 /nfs/dbraw/zinc/82/31/24/794823124.db2.gz YTJYAVKERMOACN-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726702 794896951 /nfs/dbraw/zinc/89/69/51/794896951.db2.gz NSQOCQPJWLMDEQ-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001118401713 795184703 /nfs/dbraw/zinc/18/47/03/795184703.db2.gz XQWWVDUMCYQSMG-MRXNPFEDSA-N 2 0 315.436 2.423 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)Cc2cncn2C)CCCCC1 ZINC001120009714 795388489 /nfs/dbraw/zinc/38/84/89/795388489.db2.gz DFFJEMZEKOLVOE-UHFFFAOYSA-N 2 0 324.856 2.124 20 30 DEEDRP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120402882 795453480 /nfs/dbraw/zinc/45/34/80/795453480.db2.gz SUIZCZYWNGWHJA-SJORKVTESA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120450041 795463197 /nfs/dbraw/zinc/46/31/97/795463197.db2.gz RSZDQAXPTZRWED-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181754476 795532276 /nfs/dbraw/zinc/53/22/76/795532276.db2.gz AXUASBPJPHUNPK-HHXXYDBFSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001120833806 795539387 /nfs/dbraw/zinc/53/93/87/795539387.db2.gz AVUFSOAVKIPSSH-LMBQMVEXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181904876 795559859 /nfs/dbraw/zinc/55/98/59/795559859.db2.gz WTMHOIZPXDMOES-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001181977608 795570275 /nfs/dbraw/zinc/57/02/75/795570275.db2.gz XRYIZHOCYVOAJI-ZHALLVOQSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001121361571 795621811 /nfs/dbraw/zinc/62/18/11/795621811.db2.gz UDXRUEZHIJPWPI-UHFFFAOYSA-N 2 0 317.477 2.208 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC001121896392 795700829 /nfs/dbraw/zinc/70/08/29/795700829.db2.gz MXZPLPXYQMMNJR-ZGJUNIKESA-N 2 0 316.449 2.181 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C[NH3+])C2CCCCCC2)CC1 ZINC001121920995 795704496 /nfs/dbraw/zinc/70/44/96/795704496.db2.gz NCJPNUHKQCGJLX-QGZVFWFLSA-N 2 0 307.482 2.298 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001183816126 795934409 /nfs/dbraw/zinc/93/44/09/795934409.db2.gz BLKDENWVBNWIAI-MRXNPFEDSA-N 2 0 316.449 2.065 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203230142 796008101 /nfs/dbraw/zinc/00/81/01/796008101.db2.gz KKPRURJGSZYCEI-CVEARBPZSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185525859 796278062 /nfs/dbraw/zinc/27/80/62/796278062.db2.gz GTCPEMMEMHYTIJ-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690385 796706285 /nfs/dbraw/zinc/70/62/85/796706285.db2.gz KZAYBGPQEYUQOI-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111193 796764518 /nfs/dbraw/zinc/76/45/18/796764518.db2.gz XCLARRJZCNTADD-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190174184 796953737 /nfs/dbraw/zinc/95/37/37/796953737.db2.gz DADQESPZBWWXBW-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP CCCCCCCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001191061164 797130542 /nfs/dbraw/zinc/13/05/42/797130542.db2.gz JKZACQWYALATKL-UHFFFAOYSA-N 2 0 314.518 2.482 20 30 DEEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192905262 797468544 /nfs/dbraw/zinc/46/85/44/797468544.db2.gz CZZVBOAAGQTGJE-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154179159 797480196 /nfs/dbraw/zinc/48/01/96/797480196.db2.gz XITUFWMRKGQNRG-CQSZACIVSA-N 2 0 300.406 2.351 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195866032 797977990 /nfs/dbraw/zinc/97/79/90/797977990.db2.gz SLIWKMGREXOBBC-FUHWJXTLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196153779 798014876 /nfs/dbraw/zinc/01/48/76/798014876.db2.gz AAIRYVMRQPHQEP-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196423085 798057756 /nfs/dbraw/zinc/05/77/56/798057756.db2.gz FWHMUXNWZLEYSK-UHFFFAOYSA-N 2 0 312.417 2.448 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203316454 798350068 /nfs/dbraw/zinc/35/00/68/798350068.db2.gz HENQYYZMQNQXOM-JKSUJKDBSA-N 2 0 319.493 2.311 20 30 DEEDRP N#Cc1cc(Nc2cnn(C3CC[NH2+]CC3)c2)cc(C2C[NH2+]C2)c1 ZINC001159115829 798523783 /nfs/dbraw/zinc/52/37/83/798523783.db2.gz UFNPORBRZLHRHA-UHFFFAOYSA-N 2 0 322.416 2.110 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200841712 798686258 /nfs/dbraw/zinc/68/62/58/798686258.db2.gz UYMNHGCPJBSDHT-MRXNPFEDSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986028 798775607 /nfs/dbraw/zinc/77/56/07/798775607.db2.gz KYCNZTKIHVLOGP-SFHVURJKSA-N 2 0 319.493 2.433 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008153 798778177 /nfs/dbraw/zinc/77/81/77/798778177.db2.gz IQSSEXKQBZRXOL-WMZOPIPTSA-N 2 0 319.493 2.431 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3ccc(C#N)cc3C#N)cc[nH+]2)CC1 ZINC001201672189 798781807 /nfs/dbraw/zinc/78/18/07/798781807.db2.gz JTNIOLRKPGSOLT-UHFFFAOYSA-N 2 0 318.384 2.320 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201794103 798799470 /nfs/dbraw/zinc/79/94/70/798799470.db2.gz QJWZXTQUMDUBHM-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161212855 798811046 /nfs/dbraw/zinc/81/10/46/798811046.db2.gz CEGXXKFHWXYNLZ-SFHVURJKSA-N 2 0 319.493 2.269 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161722737 798922375 /nfs/dbraw/zinc/92/23/75/798922375.db2.gz DNAKTXWBIGBTRO-UHFFFAOYSA-N 2 0 314.433 2.086 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161953400 798978365 /nfs/dbraw/zinc/97/83/65/798978365.db2.gz UNJYPYIRHGUMEC-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001163243354 799286279 /nfs/dbraw/zinc/28/62/79/799286279.db2.gz XIYVVUVUXFNBFI-UHFFFAOYSA-N 2 0 315.889 2.347 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCC2CCOCC2)CC1 ZINC001202684377 799358835 /nfs/dbraw/zinc/35/88/35/799358835.db2.gz RXFLQADZSLHCGM-UHFFFAOYSA-N 2 0 321.509 2.095 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164508888 799612805 /nfs/dbraw/zinc/61/28/05/799612805.db2.gz NXMFDVITSMCPFQ-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668235 799686818 /nfs/dbraw/zinc/68/68/18/799686818.db2.gz MXTVNDKVLFBZED-LTIDMASMSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165492676 799737075 /nfs/dbraw/zinc/73/70/75/799737075.db2.gz ZKUCPYGBKNYOEL-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165735467 799766530 /nfs/dbraw/zinc/76/65/30/799766530.db2.gz AHHDGZDVMANXDR-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325179 800037602 /nfs/dbraw/zinc/03/76/02/800037602.db2.gz KKGZJOCQFKEEDQ-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203342232 800038710 /nfs/dbraw/zinc/03/87/10/800038710.db2.gz YWBDAGLCPCSQSF-IAGOWNOFSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632565 800095637 /nfs/dbraw/zinc/09/56/37/800095637.db2.gz UZWAWMLCPYWGCW-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203902532 800142858 /nfs/dbraw/zinc/14/28/58/800142858.db2.gz DZRFAPVLACBVKP-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001203903049 800144481 /nfs/dbraw/zinc/14/44/81/800144481.db2.gz JNDUTKSGPOAUMK-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482343 800541025 /nfs/dbraw/zinc/54/10/25/800541025.db2.gz SUWFZQMBRZKMMM-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952363 800640624 /nfs/dbraw/zinc/64/06/24/800640624.db2.gz LWDBANCIWSQTKM-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCN(CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207202684 800708682 /nfs/dbraw/zinc/70/86/82/800708682.db2.gz YLQWSESVACPFLQ-CVEARBPZSA-N 2 0 323.481 2.293 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207279123 800721074 /nfs/dbraw/zinc/72/10/74/800721074.db2.gz BXZANHOSTOWCJK-GOSISDBHSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC1CC[NH+](C)CC1)CCO2 ZINC001207397366 800743612 /nfs/dbraw/zinc/74/36/12/800743612.db2.gz KDSQNSLESRCOLB-RTBURBONSA-N 2 0 322.493 2.402 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129422 800918921 /nfs/dbraw/zinc/91/89/21/800918921.db2.gz VKPYWAYXBSHPJD-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453574 800986145 /nfs/dbraw/zinc/98/61/45/800986145.db2.gz JYSZPMKYTZRXDW-ZDUSSCGKSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208613559 801033818 /nfs/dbraw/zinc/03/38/18/801033818.db2.gz NUDJSIXQJONLDZ-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001229193761 801240325 /nfs/dbraw/zinc/24/03/25/801240325.db2.gz FSXKTKDCJHTHFG-ZACQAIPSSA-N 2 0 307.482 2.003 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257191 801376871 /nfs/dbraw/zinc/37/68/71/801376871.db2.gz LWDHUORJRSQQCY-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210633855 801436458 /nfs/dbraw/zinc/43/64/58/801436458.db2.gz IMXNOSSECWVFAL-SFHVURJKSA-N 2 0 321.509 2.493 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685131 801446762 /nfs/dbraw/zinc/44/67/62/801446762.db2.gz OGBFITMAZKPJBH-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211031581 801500998 /nfs/dbraw/zinc/50/09/98/801500998.db2.gz JRQDPIFDJDEPFY-BRWVUGGUSA-N 2 0 309.498 2.345 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094630 801511788 /nfs/dbraw/zinc/51/17/88/801511788.db2.gz JEIPRDKIEAYASU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211125924 801515606 /nfs/dbraw/zinc/51/56/06/801515606.db2.gz LFIFWRSPEMBGFT-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772950 802024113 /nfs/dbraw/zinc/02/41/13/802024113.db2.gz RMJTXJVURORGHA-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844873 802032889 /nfs/dbraw/zinc/03/28/89/802032889.db2.gz MOQDKJZMEQBITE-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221627783 802598328 /nfs/dbraw/zinc/59/83/28/802598328.db2.gz SQPWHWJHSSSLTO-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811876 802618517 /nfs/dbraw/zinc/61/85/17/802618517.db2.gz NFGUNEGVRJRDQX-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221920715 802627183 /nfs/dbraw/zinc/62/71/83/802627183.db2.gz SEAMMBXWESCSQJ-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013588 802633193 /nfs/dbraw/zinc/63/31/93/802633193.db2.gz HAAHTLFYSQENPW-KZNAEPCWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001224024400 802830834 /nfs/dbraw/zinc/83/08/34/802830834.db2.gz KMQHGRQLCJXQDP-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224538568 802880732 /nfs/dbraw/zinc/88/07/32/802880732.db2.gz XZIYENOLQUWSNA-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001224570526 802882596 /nfs/dbraw/zinc/88/25/96/802882596.db2.gz XLVDRBNWUFFABS-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228593847 803378041 /nfs/dbraw/zinc/37/80/41/803378041.db2.gz FUENQCKIHUSKAR-GVDBMIGSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001228595776 803379025 /nfs/dbraw/zinc/37/90/25/803379025.db2.gz ZJXVYSFTZOBFDB-GVDBMIGSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228602256 803379937 /nfs/dbraw/zinc/37/99/37/803379937.db2.gz FXGCSUKXBWMEAG-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001328035143 1148704943 /nfs/dbraw/zinc/70/49/43/1148704943.db2.gz MHWMZFDTXRNVFQ-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001368866133 1148730627 /nfs/dbraw/zinc/73/06/27/1148730627.db2.gz ICBKFLQFVNEPNW-STQMWFEESA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001343429493 1150741524 /nfs/dbraw/zinc/74/15/24/1150741524.db2.gz AVMISQZOAFKBRS-DOTOQJQBSA-N 2 0 303.450 2.307 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001328588972 1148813704 /nfs/dbraw/zinc/81/37/04/1148813704.db2.gz RLQXWGSIOQHDRM-IRXDYDNUSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001502406727 1060117891 /nfs/dbraw/zinc/11/78/91/1060117891.db2.gz QZWJRKAVAYKAOT-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001479561616 1061503389 /nfs/dbraw/zinc/50/33/89/1061503389.db2.gz FQJTYDMSFSEHKX-FGTMMUONSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001479690293 1061601815 /nfs/dbraw/zinc/60/18/15/1061601815.db2.gz ZWLKVGBOOUKCKI-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001479747601 1061674297 /nfs/dbraw/zinc/67/42/97/1061674297.db2.gz ZTOXBXLUOUIIPI-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001506559026 1062128199 /nfs/dbraw/zinc/12/81/99/1062128199.db2.gz NRSOXYJKDDWILZ-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480143677 1062382997 /nfs/dbraw/zinc/38/29/97/1062382997.db2.gz IJZTWRONWMDSMF-VQHPVUNQSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001480166747 1062416837 /nfs/dbraw/zinc/41/68/37/1062416837.db2.gz BWQFBQVEEPOMQQ-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001480190233 1062443145 /nfs/dbraw/zinc/44/31/45/1062443145.db2.gz YNDVNPFPVJPCEM-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001506887181 1062474474 /nfs/dbraw/zinc/47/44/74/1062474474.db2.gz FLCMRBQDZOQQPA-QAQDUYKDSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506928141 1062539678 /nfs/dbraw/zinc/53/96/78/1062539678.db2.gz LZAJKRZIJPEZOD-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480299515 1062605621 /nfs/dbraw/zinc/60/56/21/1062605621.db2.gz DDPHYCMKEXZZKE-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001507358527 1063151087 /nfs/dbraw/zinc/15/10/87/1063151087.db2.gz ASIXTNBHLDQIJF-GVDBMIGSSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001566124733 1072340139 /nfs/dbraw/zinc/34/01/39/1072340139.db2.gz GGIQSKDRGDPKHZ-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001567371419 1064167513 /nfs/dbraw/zinc/16/75/13/1064167513.db2.gz JCQJXCZKWFDSGZ-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001567419948 1064191687 /nfs/dbraw/zinc/19/16/87/1064191687.db2.gz YKLJBYMHKVRMOP-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494299867 1064204864 /nfs/dbraw/zinc/20/48/64/1064204864.db2.gz WOCHWKGUDDECOU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567712584 1064370456 /nfs/dbraw/zinc/37/04/56/1064370456.db2.gz WULLXWOPJANJHX-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001567727399 1064379955 /nfs/dbraw/zinc/37/99/55/1064379955.db2.gz IBJHJAKIHADKKJ-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567741402 1064395817 /nfs/dbraw/zinc/39/58/17/1064395817.db2.gz JTSGIDSQHVMADB-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001494686590 1064414900 /nfs/dbraw/zinc/41/49/00/1064414900.db2.gz WGXVTOPYVSIILN-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567830546 1064446583 /nfs/dbraw/zinc/44/65/83/1064446583.db2.gz SFYRTIJIJQHNMB-HYVNUMGLSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001568008092 1064590451 /nfs/dbraw/zinc/59/04/51/1064590451.db2.gz LTVGPDGWLNVZRC-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001495204574 1064760629 /nfs/dbraw/zinc/76/06/29/1064760629.db2.gz XLBYKLPWCSLMNB-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568329274 1064782230 /nfs/dbraw/zinc/78/22/30/1064782230.db2.gz VIXZGABFKMWSOY-MSOLQXFVSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001568368255 1064812112 /nfs/dbraw/zinc/81/21/12/1064812112.db2.gz FDHOSGANKWJTCK-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(NC(=O)CCC[NH+](C)C)CCCC[C@H]1C ZINC001495318809 1064828419 /nfs/dbraw/zinc/82/84/19/1064828419.db2.gz FUFITEZHZLMQLX-AEFFLSMTSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001568392522 1064832570 /nfs/dbraw/zinc/83/25/70/1064832570.db2.gz QPMMVFKIAPVBJL-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001568441031 1064875038 /nfs/dbraw/zinc/87/50/38/1064875038.db2.gz NKUXRNQSBQVNQI-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001496316108 1065404108 /nfs/dbraw/zinc/40/41/08/1065404108.db2.gz YBWSQAIVNHCFLX-MSOLQXFVSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001496364616 1065427785 /nfs/dbraw/zinc/42/77/85/1065427785.db2.gz TXEVUHZDVCMYMB-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001569614292 1065624439 /nfs/dbraw/zinc/62/44/39/1065624439.db2.gz QIZCQMDHTVWXDA-KRWDZBQOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569695612 1065676682 /nfs/dbraw/zinc/67/66/82/1065676682.db2.gz QOEVWQBKCDYAKN-AEFFLSMTSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569723320 1065691599 /nfs/dbraw/zinc/69/15/99/1065691599.db2.gz UOYPDNKCDUBVHY-PKOBYXMFSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001569802694 1065726029 /nfs/dbraw/zinc/72/60/29/1065726029.db2.gz YWSCEQMESOGBIP-WMZOPIPTSA-N 2 0 315.461 2.134 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)C2 ZINC001569861240 1065773666 /nfs/dbraw/zinc/77/36/66/1065773666.db2.gz UDWPYEBCHJCKJY-BJWYYQGGSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570275045 1066000901 /nfs/dbraw/zinc/00/09/01/1066000901.db2.gz OJVNTVGJRKYHIZ-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001570379661 1066041336 /nfs/dbraw/zinc/04/13/36/1066041336.db2.gz WACGCCRDOJTIRP-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)CC2)CC1 ZINC001570485309 1066092300 /nfs/dbraw/zinc/09/23/00/1066092300.db2.gz HGRDOVPVERPCNY-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001570521962 1066104912 /nfs/dbraw/zinc/10/49/12/1066104912.db2.gz KZOMMZGAGJZKTH-FGTMMUONSA-N 2 0 315.461 2.275 20 30 DEEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC001576182284 1066514175 /nfs/dbraw/zinc/51/41/75/1066514175.db2.gz URBQIXLFASTIJQ-UAGQMJEPSA-N 2 0 316.449 2.205 20 30 DEEDRP C[C@H]1C[C@@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001576599998 1066643892 /nfs/dbraw/zinc/64/38/92/1066643892.db2.gz WZOBMGAUPLKIJK-IRXDYDNUSA-N 2 0 312.461 2.458 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001266995520 1078487625 /nfs/dbraw/zinc/48/76/25/1078487625.db2.gz UTHHZCGRMSFKIK-INIZCTEOSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001499482348 1067235534 /nfs/dbraw/zinc/23/55/34/1067235534.db2.gz VAFUTQTUTCUDFZ-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001483615253 1078627721 /nfs/dbraw/zinc/62/77/21/1078627721.db2.gz LLJQKDWWNXIREW-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001570796623 1068119834 /nfs/dbraw/zinc/11/98/34/1068119834.db2.gz XNBVXNJTAIWIQE-QGZVFWFLSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001570815471 1068126000 /nfs/dbraw/zinc/12/60/00/1068126000.db2.gz CUISWVWKQDSYRG-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001570863288 1068143779 /nfs/dbraw/zinc/14/37/79/1068143779.db2.gz BRFXQBVMUDVMBX-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1 ZINC001571068795 1068178709 /nfs/dbraw/zinc/17/87/09/1068178709.db2.gz XPHRLUIFOBWBMK-HDICACEKSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001571483902 1068338526 /nfs/dbraw/zinc/33/85/26/1068338526.db2.gz XRFURPSJRMDRSZ-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001571560481 1068420158 /nfs/dbraw/zinc/42/01/58/1068420158.db2.gz ZQCUOAHCKUOIOO-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001571569132 1068424744 /nfs/dbraw/zinc/42/47/44/1068424744.db2.gz YACUPEQAOXZVSZ-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267267889 1078714131 /nfs/dbraw/zinc/71/41/31/1078714131.db2.gz TULGPYXNTGDKDZ-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267293143 1078739566 /nfs/dbraw/zinc/73/95/66/1078739566.db2.gz MNMHDLRKPWFTAK-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C12CCC(CC1)[NH2+]2)C(C)C ZINC001521438234 1069240910 /nfs/dbraw/zinc/24/09/10/1069240910.db2.gz CTTCCAOFPIUICV-PQUAAJSLSA-N 2 0 305.466 2.086 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001483747334 1078986053 /nfs/dbraw/zinc/98/60/53/1078986053.db2.gz STHDMIYUXRZJJG-UHFFFAOYSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001329356077 1148887383 /nfs/dbraw/zinc/88/73/83/1148887383.db2.gz HEJVCNITEIYDSB-SJORKVTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001484000889 1079236608 /nfs/dbraw/zinc/23/66/08/1079236608.db2.gz KJZRYOGZPRQDJL-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001646806188 1074627218 /nfs/dbraw/zinc/62/72/18/1074627218.db2.gz MKFNRVMASYEIET-HIFRSBDPSA-N 2 0 313.873 2.085 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267701090 1079388387 /nfs/dbraw/zinc/38/83/87/1079388387.db2.gz NIDCFTXCIGIMMY-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001566735745 1075329656 /nfs/dbraw/zinc/32/96/56/1075329656.db2.gz KGZDIJDVBHXAEH-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001566808917 1075350258 /nfs/dbraw/zinc/35/02/58/1075350258.db2.gz FSDBWRXHQRAIOV-LUKYLMHMSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962882 1075402100 /nfs/dbraw/zinc/40/21/00/1075402100.db2.gz MWKHDHSDMCFDHE-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054175 1075424005 /nfs/dbraw/zinc/42/40/05/1075424005.db2.gz LSCWLGBVDUQVJO-YOEHRIQHSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567193143 1075459657 /nfs/dbraw/zinc/45/96/57/1075459657.db2.gz OBEDLPXQCVVQSI-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001267874893 1079561885 /nfs/dbraw/zinc/56/18/85/1079561885.db2.gz ZPJYEQGZNBFZFM-IEBWSBKVSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001267874437 1079562628 /nfs/dbraw/zinc/56/26/28/1079562628.db2.gz UIMGBFIXNXWWMV-FUHWJXTLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267932945 1079615080 /nfs/dbraw/zinc/61/50/80/1079615080.db2.gz XHCVSUWHFOGKQQ-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001267938652 1079619736 /nfs/dbraw/zinc/61/97/36/1079619736.db2.gz FBVWRJYJYBEFBX-INIZCTEOSA-N 2 0 315.461 2.310 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268008426 1079691205 /nfs/dbraw/zinc/69/12/05/1079691205.db2.gz IILJXUQHLJDPSY-HNNXBMFYSA-N 2 0 307.482 2.026 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481405575 1079793182 /nfs/dbraw/zinc/79/31/82/1079793182.db2.gz JHIFNDNJTAJZAA-BZSNNMDCSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001484817522 1079811004 /nfs/dbraw/zinc/81/10/04/1079811004.db2.gz HPFVJWFGKCGKCG-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481451735 1079876193 /nfs/dbraw/zinc/87/61/93/1079876193.db2.gz RRFZLORFVYAAGN-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481451738 1079876346 /nfs/dbraw/zinc/87/63/46/1079876346.db2.gz RRFZLORFVYAAGN-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1cncn1C ZINC001485076602 1079962115 /nfs/dbraw/zinc/96/21/15/1079962115.db2.gz UTOFKBCQRZCXDK-KRWDZBQOSA-N 2 0 318.465 2.242 20 30 DEEDRP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001481514954 1079983200 /nfs/dbraw/zinc/98/32/00/1079983200.db2.gz VKOFJIDBGVLOHU-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001481539696 1080028975 /nfs/dbraw/zinc/02/89/75/1080028975.db2.gz LQPLYFORLVNOFM-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485162474 1080032572 /nfs/dbraw/zinc/03/25/72/1080032572.db2.gz IAJWWZPXTWVJKI-CABCVRRESA-N 2 0 307.482 2.146 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CCCCC1 ZINC001268123451 1080092544 /nfs/dbraw/zinc/09/25/44/1080092544.db2.gz JZXIABAWNGHCPG-GOSISDBHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001656957108 1080142665 /nfs/dbraw/zinc/14/26/65/1080142665.db2.gz GMTHKFHZISPXDB-IXDOHACOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485463550 1080231077 /nfs/dbraw/zinc/23/10/77/1080231077.db2.gz NUYUBYSTKWXWKY-QLFBSQMISA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)[C@@H](CO)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067745 1080260672 /nfs/dbraw/zinc/26/06/72/1080260672.db2.gz ZLBFMPAVYVLJKA-QRVBRYPASA-N 2 0 300.446 2.377 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001661213408 1080457229 /nfs/dbraw/zinc/45/72/29/1080457229.db2.gz QZWFTENJBWRERX-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001661231038 1080460508 /nfs/dbraw/zinc/46/05/08/1080460508.db2.gz CKRGUFLOLWQUST-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485815570 1080496612 /nfs/dbraw/zinc/49/66/12/1080496612.db2.gz LYZYXTBNSPCLGG-IAGOWNOFSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040516 1080554156 /nfs/dbraw/zinc/55/41/56/1080554156.db2.gz IAJQPALDSCWUQQ-BRWVUGGUSA-N 2 0 309.498 2.365 20 30 DEEDRP CC#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@H]1C ZINC001481964831 1080656632 /nfs/dbraw/zinc/65/66/32/1080656632.db2.gz TWVYRLRFJVIKOR-SJLPKXTDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001662844895 1080666273 /nfs/dbraw/zinc/66/62/73/1080666273.db2.gz JWMNQDBGFQAIQL-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001664457581 1080912717 /nfs/dbraw/zinc/91/27/17/1080912717.db2.gz RLNOEDMQVQBOHO-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001673457844 1080992471 /nfs/dbraw/zinc/99/24/71/1080992471.db2.gz KZLKEHKAFXTDSY-UHFFFAOYSA-N 2 0 321.509 2.302 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001666323453 1081143828 /nfs/dbraw/zinc/14/38/28/1081143828.db2.gz PFRHFBGBZGMXBH-QAETUUGQSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001666767436 1081180190 /nfs/dbraw/zinc/18/01/90/1081180190.db2.gz GDUOFYRBEUISAT-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001666767475 1081180283 /nfs/dbraw/zinc/18/02/83/1081180283.db2.gz HFNRMSLKBJEVFJ-IRXDYDNUSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001269544785 1081285060 /nfs/dbraw/zinc/28/50/60/1081285060.db2.gz SGUXCMHUEVNVAW-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001269631215 1081315319 /nfs/dbraw/zinc/31/53/19/1081315319.db2.gz WHVOFNNLFXHRMW-RLFYNMQTSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001668118542 1081318450 /nfs/dbraw/zinc/31/84/50/1081318450.db2.gz WIRPOOFTTIRWTI-OAHLLOKOSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001269644634 1081320190 /nfs/dbraw/zinc/32/01/90/1081320190.db2.gz HBJOAULRIAZHSC-LJQANCHMSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001269677438 1081329915 /nfs/dbraw/zinc/32/99/15/1081329915.db2.gz RWQXNPDVABGUOU-VQIMIIECSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001269699710 1081337368 /nfs/dbraw/zinc/33/73/68/1081337368.db2.gz IENPBRYBSYKXSZ-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001284600052 1081340348 /nfs/dbraw/zinc/34/03/48/1081340348.db2.gz YJFYSJRBERPMSK-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269985047 1081417822 /nfs/dbraw/zinc/41/78/22/1081417822.db2.gz AFKHLXOVXOLUSI-ULQDDVLXSA-N 2 0 307.482 2.452 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001669986318 1081487298 /nfs/dbraw/zinc/48/72/98/1081487298.db2.gz QWQPZHUTOXPDSX-ROUUACIJSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCC(C)C)CC1 ZINC001270363931 1081509914 /nfs/dbraw/zinc/50/99/14/1081509914.db2.gz LKJCULHCQRHFIU-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001280220383 1081521488 /nfs/dbraw/zinc/52/14/88/1081521488.db2.gz XIFZFCIGUGEFQC-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001672338538 1081586129 /nfs/dbraw/zinc/58/61/29/1081586129.db2.gz LFFQWPMQZHICON-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001672567461 1081612761 /nfs/dbraw/zinc/61/27/61/1081612761.db2.gz DUDCEVQAXVGWBM-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001270811278 1081723848 /nfs/dbraw/zinc/72/38/48/1081723848.db2.gz CMUSUNPSKGZHDC-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001270825676 1081731150 /nfs/dbraw/zinc/73/11/50/1081731150.db2.gz HMQUYVHUQMFVJD-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001673201295 1081746008 /nfs/dbraw/zinc/74/60/08/1081746008.db2.gz AWSUSLIPJDDFMI-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001482438719 1081830040 /nfs/dbraw/zinc/83/00/40/1081830040.db2.gz YUYKGMLNSJSESE-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001270911965 1081834445 /nfs/dbraw/zinc/83/44/45/1081834445.db2.gz UREGEDMZABQNHH-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674463457 1081875569 /nfs/dbraw/zinc/87/55/69/1081875569.db2.gz MPQJUXXMIAMHPH-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001271021105 1081879335 /nfs/dbraw/zinc/87/93/35/1081879335.db2.gz IOOVLGFRPTUEQU-HNNXBMFYSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001674504606 1081882928 /nfs/dbraw/zinc/88/29/28/1081882928.db2.gz FYZAZWMKCFIYRZ-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001674687986 1081905858 /nfs/dbraw/zinc/90/58/58/1081905858.db2.gz XYCIXMVCTZPSBF-CHWSQXEVSA-N 2 0 300.406 2.315 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001271507501 1082069271 /nfs/dbraw/zinc/06/92/71/1082069271.db2.gz HGLWPSOTEJTSDS-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001271665157 1082104389 /nfs/dbraw/zinc/10/43/89/1082104389.db2.gz IQFFRMJBOUSVNS-DLBZAZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266565386 1082163141 /nfs/dbraw/zinc/16/31/41/1082163141.db2.gz WAHYFNLORVEYJV-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266601767 1082188660 /nfs/dbraw/zinc/18/86/60/1082188660.db2.gz MFCYFTWQNWNVMC-ULQDDVLXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001482563802 1082233849 /nfs/dbraw/zinc/23/38/49/1082233849.db2.gz YIXQZGLLKCZDGY-SFHVURJKSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266663233 1082257927 /nfs/dbraw/zinc/25/79/27/1082257927.db2.gz MACCQBQKZYIJJC-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266841891 1082384250 /nfs/dbraw/zinc/38/42/50/1082384250.db2.gz DQZKDGVKLOTILV-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001266876727 1082425172 /nfs/dbraw/zinc/42/51/72/1082425172.db2.gz OPVFPDSKYAGREB-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107454693 1083407953 /nfs/dbraw/zinc/40/79/53/1083407953.db2.gz JZGLLKXYBOSVDX-VQIMIIECSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001276468391 1083455018 /nfs/dbraw/zinc/45/50/18/1083455018.db2.gz ISMRDLUUZWLDHO-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521116 1083458278 /nfs/dbraw/zinc/45/82/78/1083458278.db2.gz MYKFFOKXHADTMH-SJLPKXTDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001276382062 1083768627 /nfs/dbraw/zinc/76/86/27/1083768627.db2.gz RZGKRCICWIUBIF-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH2+]C12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001277153050 1083816631 /nfs/dbraw/zinc/81/66/31/1083816631.db2.gz WZXDYSGFUDCWOW-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC(C)(C)C[NH+](C)C)CC2 ZINC001272870583 1084400005 /nfs/dbraw/zinc/40/00/05/1084400005.db2.gz QVWKJODMTNICHZ-MRXNPFEDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168666406 1084523421 /nfs/dbraw/zinc/52/34/21/1084523421.db2.gz FFONUSBSECSZJF-CQSZACIVSA-N 2 0 303.878 2.201 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001078682812 1084796453 /nfs/dbraw/zinc/79/64/53/1084796453.db2.gz IKOFENXPQCOFNY-JKSUJKDBSA-N 2 0 310.401 2.151 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001486208435 1085111844 /nfs/dbraw/zinc/11/18/44/1085111844.db2.gz UYTDTVYQOFBTNH-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000964146730 1085167640 /nfs/dbraw/zinc/16/76/40/1085167640.db2.gz ZFDIIPQVGCCCBK-UHFFFAOYSA-N 2 0 324.428 2.459 20 30 DEEDRP C=CCN1CCC2(CC[NH+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039049 1086064061 /nfs/dbraw/zinc/06/40/61/1086064061.db2.gz LYWDHZPVZJLFEI-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCNC(=O)[C@@H]1CC12CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001273100654 1086177190 /nfs/dbraw/zinc/17/71/90/1086177190.db2.gz ASTMYHFUZHOKPF-INIZCTEOSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000963564134 1086499736 /nfs/dbraw/zinc/49/97/36/1086499736.db2.gz OXGZKIQMVJHBGW-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000963624456 1086517525 /nfs/dbraw/zinc/51/75/25/1086517525.db2.gz PUOLDFKECCMPHO-UHFFFAOYSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000963728286 1086549161 /nfs/dbraw/zinc/54/91/61/1086549161.db2.gz NGKZFKHKNBALSZ-DAWZGUTISA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000963902538 1086591921 /nfs/dbraw/zinc/59/19/21/1086591921.db2.gz LHZNYWAQSWFQSH-GTPINHCMSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001273144607 1086778324 /nfs/dbraw/zinc/77/83/24/1086778324.db2.gz RWPHOOPULYHFNX-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114520987 1088308021 /nfs/dbraw/zinc/30/80/21/1088308021.db2.gz FWLVJLMFEVRBFI-ZSGPHXLJSA-N 2 0 324.428 2.349 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC000957569195 1088417878 /nfs/dbraw/zinc/41/78/78/1088417878.db2.gz ZIPKXKZGBHDQFL-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938955 1090530362 /nfs/dbraw/zinc/53/03/62/1090530362.db2.gz MKZQRZIVVZLASU-SQNIBIBYSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001411209829 1091420635 /nfs/dbraw/zinc/42/06/35/1091420635.db2.gz QLEWMNVXURKMKL-KGLIPLIRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCCCCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276042036 1091472136 /nfs/dbraw/zinc/47/21/36/1091472136.db2.gz UWANFXHKOICPRS-ROUUACIJSA-N 2 0 309.498 2.070 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001276123848 1091566339 /nfs/dbraw/zinc/56/63/39/1091566339.db2.gz YTIGULLYDPOTHR-ROUUACIJSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001275144026 1091581803 /nfs/dbraw/zinc/58/18/03/1091581803.db2.gz TVHATTLXFOWVFE-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275161501 1091593200 /nfs/dbraw/zinc/59/32/00/1091593200.db2.gz ZTDVNQMGBKQGNN-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948771819 1091926789 /nfs/dbraw/zinc/92/67/89/1091926789.db2.gz QPOIHYKDTWFEPD-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832862 1091960660 /nfs/dbraw/zinc/96/06/60/1091960660.db2.gz CHQDODKWNAAGFS-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948886426 1091981752 /nfs/dbraw/zinc/98/17/52/1091981752.db2.gz NXVVTVBDJRRYTH-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccccc1C#N)C2 ZINC001275969065 1092400051 /nfs/dbraw/zinc/40/00/51/1092400051.db2.gz YODLQFCUHCRMKZ-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]2C1 ZINC001489202798 1092972066 /nfs/dbraw/zinc/97/20/66/1092972066.db2.gz NSHDJIVQCXJRQF-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490197247 1093243962 /nfs/dbraw/zinc/24/39/62/1093243962.db2.gz WUHXUKRKNZHCQK-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490455365 1093392346 /nfs/dbraw/zinc/39/23/46/1093392346.db2.gz YJVKQIDNHCYUDH-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001490700547 1093493715 /nfs/dbraw/zinc/49/37/15/1093493715.db2.gz UIYFTHUQURATAR-MSOLQXFVSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001319411663 1093806867 /nfs/dbraw/zinc/80/68/67/1093806867.db2.gz KFOZGHZXMYCHAH-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001274124937 1093809526 /nfs/dbraw/zinc/80/95/26/1093809526.db2.gz LIZRWVXJCRUKOM-FEFZKZJHSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691727592 1138215012 /nfs/dbraw/zinc/21/50/12/1138215012.db2.gz LIBFINLBWVBYBQ-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001316661891 1139850040 /nfs/dbraw/zinc/85/00/40/1139850040.db2.gz BZVLSDGOSYZVGH-RCCFBDPRSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001318684948 1140384965 /nfs/dbraw/zinc/38/49/65/1140384965.db2.gz CCLJPSCKAPHGRX-AEFFLSMTSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001318916849 1140465384 /nfs/dbraw/zinc/46/53/84/1140465384.db2.gz GXVBQORGVJWYHX-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001319370542 1140557098 /nfs/dbraw/zinc/55/70/98/1140557098.db2.gz XOXHBPJBYZKQFP-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001319549867 1140613421 /nfs/dbraw/zinc/61/34/21/1140613421.db2.gz RUQJVMZGEQKHNN-HNNXBMFYSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001319659891 1140648394 /nfs/dbraw/zinc/64/83/94/1140648394.db2.gz OPABEXYZHWIJSF-DOTOQJQBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001319967277 1140807583 /nfs/dbraw/zinc/80/75/83/1140807583.db2.gz CXBRZNWKLFCUTN-QGZVFWFLSA-N 2 0 303.450 2.278 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCN(C)CC[NH3+] ZINC001245996226 1140843653 /nfs/dbraw/zinc/84/36/53/1140843653.db2.gz UTZBMDJTLOFSOL-QGZVFWFLSA-N 2 0 301.519 2.358 20 30 DEEDRP C=CCO[C@@H]1CC[N@@H+](CC[C@@H](C)[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001320899692 1140980567 /nfs/dbraw/zinc/98/05/67/1140980567.db2.gz VDQFGWBAGHPHFF-KURKYZTESA-N 2 0 308.466 2.319 20 30 DEEDRP N#CCC[N@H+]([C@@H]1CCNC2(C[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770715 1141055647 /nfs/dbraw/zinc/05/56/47/1141055647.db2.gz ROLNETHVGHYFDQ-QGZVFWFLSA-N 2 0 304.482 2.409 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001278465708 1141059826 /nfs/dbraw/zinc/05/98/26/1141059826.db2.gz BQVHDXAJBDOLRW-ZIFCJYIRSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C1C[C@@H]2CC([NH+]3CCC(N4CC[NH2+]CC4)CC3)C[C@H](C1)C2 ZINC001246886152 1141101119 /nfs/dbraw/zinc/10/11/19/1141101119.db2.gz KAQNXBMSWKXROR-JJTKIYQPSA-N 2 0 303.494 2.491 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001278486357 1141359269 /nfs/dbraw/zinc/35/92/69/1141359269.db2.gz GAGGXSPQNPZOGN-KZNAEPCWSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1CC ZINC001323170603 1141821269 /nfs/dbraw/zinc/82/12/69/1141821269.db2.gz ROLTVWMZOYZJKR-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001323287746 1141837261 /nfs/dbraw/zinc/83/72/61/1141837261.db2.gz UHIDDWFEUBTWHA-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001323721063 1141880304 /nfs/dbraw/zinc/88/03/04/1141880304.db2.gz DDGQFRMGVPLVCN-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278602208 1142322259 /nfs/dbraw/zinc/32/22/59/1142322259.db2.gz PDZGVFWFOITMIC-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001252134347 1142650249 /nfs/dbraw/zinc/65/02/49/1142650249.db2.gz PNWHUGTUSGPLMN-SFHVURJKSA-N 2 0 314.514 2.392 20 30 DEEDRP C=C[C@](C)(O)C[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001252552199 1142760711 /nfs/dbraw/zinc/76/07/11/1142760711.db2.gz HSHMSPKMIOHUJF-QRVBRYPASA-N 2 0 300.446 2.296 20 30 DEEDRP C=C[C@](C)(O)C[NH2+]C1CCN(Cc2ccc(OC)cc2)CC1 ZINC001252570856 1142768564 /nfs/dbraw/zinc/76/85/64/1142768564.db2.gz BYSPHQJCIUEFGA-SFHVURJKSA-N 2 0 304.434 2.186 20 30 DEEDRP C=CCCCCCC[C@@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001253240701 1142856737 /nfs/dbraw/zinc/85/67/37/1142856737.db2.gz PJGFJWRVDFMODU-GOSISDBHSA-N 2 0 311.514 2.053 20 30 DEEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662230 1143304585 /nfs/dbraw/zinc/30/45/85/1143304585.db2.gz DFMLVEPFSYSWKM-NCXUSEDFSA-N 2 0 317.477 2.359 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+](CC)CC)CC1 ZINC001340666215 1143393564 /nfs/dbraw/zinc/39/35/64/1143393564.db2.gz VZSQIVXFZLTZOB-MRXNPFEDSA-N 2 0 324.513 2.447 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccc(CC)cc1 ZINC001340924216 1143495864 /nfs/dbraw/zinc/49/58/64/1143495864.db2.gz XVYXHRICESZSPQ-ROUUACIJSA-N 2 0 315.461 2.406 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001278911774 1143830140 /nfs/dbraw/zinc/83/01/40/1143830140.db2.gz DYGPGFRQQOZFJD-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C1C[C@@H]2CC([N@H+]3CCC(=O)N(CC[NH+](C)C)CC3)C[C@H](C1)C2 ZINC001257894929 1143958392 /nfs/dbraw/zinc/95/83/92/1143958392.db2.gz CYTHOUCTDVRUGJ-JWTNVVGKSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001263880670 1144419392 /nfs/dbraw/zinc/41/93/92/1144419392.db2.gz WSAKIPOONIOKEO-KZNAEPCWSA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1CC ZINC001264071455 1144454469 /nfs/dbraw/zinc/45/44/69/1144454469.db2.gz GSLIXZXCWGPFHY-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264120034 1144474705 /nfs/dbraw/zinc/47/47/05/1144474705.db2.gz BETIVIOESXTBRV-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264751832 1144607099 /nfs/dbraw/zinc/60/70/99/1144607099.db2.gz POJVWLCHQKMHHO-IRXDYDNUSA-N 2 0 321.509 2.203 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001265374500 1144699354 /nfs/dbraw/zinc/69/93/54/1144699354.db2.gz NTCLXELOLPTGJU-IRXDYDNUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001265372387 1144699446 /nfs/dbraw/zinc/69/94/46/1144699446.db2.gz ICWSKGGCUQKOCX-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265540320 1144710281 /nfs/dbraw/zinc/71/02/81/1144710281.db2.gz NACJWDPFAYITBD-UHDSXZAQSA-N 2 0 307.482 2.308 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266066982 1144802172 /nfs/dbraw/zinc/80/21/72/1144802172.db2.gz ICRODTALVNZDJI-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266066983 1144802262 /nfs/dbraw/zinc/80/22/62/1144802262.db2.gz ICRODTALVNZDJI-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]cn1 ZINC001279567853 1144824716 /nfs/dbraw/zinc/82/47/16/1144824716.db2.gz ZVAOTSGXRMBQTC-IRXDYDNUSA-N 2 0 316.449 2.374 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001280761699 1144853785 /nfs/dbraw/zinc/85/37/85/1144853785.db2.gz ZNQUQILJJVCSDU-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001282716231 1145142914 /nfs/dbraw/zinc/14/29/14/1145142914.db2.gz HZRGHWSYYDIYIA-GJZGRUSLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284030712 1145759397 /nfs/dbraw/zinc/75/93/97/1145759397.db2.gz HPMCKHKHTFYSPI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001284033037 1145761978 /nfs/dbraw/zinc/76/19/78/1145761978.db2.gz NMLYFHKQZPXYKN-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001284781424 1145911176 /nfs/dbraw/zinc/91/11/76/1145911176.db2.gz SBRDODNPGKLANV-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001284818170 1145925321 /nfs/dbraw/zinc/92/53/21/1145925321.db2.gz AKCIRUZXTLIXPQ-OFLPRAFFSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001284846310 1145937045 /nfs/dbraw/zinc/93/70/45/1145937045.db2.gz NKJQZLCPIJJMSU-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001316758927 1147595225 /nfs/dbraw/zinc/59/52/25/1147595225.db2.gz QOPCDJSGGSVKBG-KURKYZTESA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001316776338 1147597608 /nfs/dbraw/zinc/59/76/08/1147597608.db2.gz ZXJQDMXZHSOSCE-BZSNNMDCSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316877348 1147619230 /nfs/dbraw/zinc/61/92/30/1147619230.db2.gz JXTRXKBDBPNTID-IAGOWNOFSA-N 2 0 321.509 2.347 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001316927386 1147633387 /nfs/dbraw/zinc/63/33/87/1147633387.db2.gz OJCFCANGLYDTIE-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994387 1147645770 /nfs/dbraw/zinc/64/57/70/1147645770.db2.gz HXZBBHKOQPIFEO-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317321000 1147690314 /nfs/dbraw/zinc/69/03/14/1147690314.db2.gz DMBGQBDSMZBGSI-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317340982 1147693225 /nfs/dbraw/zinc/69/32/25/1147693225.db2.gz YJBTVKOMCBEIPR-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH+](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001317554417 1147724477 /nfs/dbraw/zinc/72/44/77/1147724477.db2.gz VPOKGARAZIBRCO-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001317687140 1147744480 /nfs/dbraw/zinc/74/44/80/1147744480.db2.gz QLVYUSWLUJPIDJ-WBVHZDCISA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001318146282 1147782327 /nfs/dbraw/zinc/78/23/27/1147782327.db2.gz QFANVUJCAFHJQN-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001325689769 1147984000 /nfs/dbraw/zinc/98/40/00/1147984000.db2.gz ONIOLCRBSNINID-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001325740153 1147993516 /nfs/dbraw/zinc/99/35/16/1147993516.db2.gz BFEIPOYMTPVZPQ-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001326555085 1148143373 /nfs/dbraw/zinc/14/33/73/1148143373.db2.gz KZFXHVDXUJCNNO-BRSBDYLESA-N 2 0 319.493 2.005 20 30 DEEDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000181697128 199340491 /nfs/dbraw/zinc/34/04/91/199340491.db2.gz VEHCTZCLYBYPHE-INIZCTEOSA-N 2 0 314.477 2.482 20 30 DEEDRP C=C(Cl)CN(C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421862461 1172059443 /nfs/dbraw/zinc/05/94/43/1172059443.db2.gz IKLCWTILZYPOOP-UHFFFAOYSA-N 2 0 313.873 2.148 20 30 DEEDRP Cc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000618193515 363409426 /nfs/dbraw/zinc/40/94/26/363409426.db2.gz SNYQNYGOQJOFIY-GOSISDBHSA-N 2 0 312.461 2.125 20 30 DEEDRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598719818 359304344 /nfs/dbraw/zinc/30/43/44/359304344.db2.gz JHCYVKUGJZIIDP-INIZCTEOSA-N 2 0 319.449 2.017 20 30 DEEDRP C[C@@H](CCC#N)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000602451873 360379554 /nfs/dbraw/zinc/37/95/54/360379554.db2.gz BJBTUJWCEMIXDX-OKZBNKHCSA-N 2 0 306.498 2.417 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000606371264 360999800 /nfs/dbraw/zinc/99/98/00/360999800.db2.gz FZSGXOJGHJRDME-DLBZAZTESA-N 2 0 307.482 2.286 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606682181 361032381 /nfs/dbraw/zinc/03/23/81/361032381.db2.gz TUCMMQNWOMGUGL-HNNXBMFYSA-N 2 0 322.497 2.056 20 30 DEEDRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000611465378 361604553 /nfs/dbraw/zinc/60/45/53/361604553.db2.gz AKABIMJTJMERDV-CQSZACIVSA-N 2 0 318.440 2.374 20 30 DEEDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390233 361589109 /nfs/dbraw/zinc/58/91/09/361589109.db2.gz LIXFMGSROKXVFY-IBGZPJMESA-N 2 0 312.461 2.163 20 30 DEEDRP C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000611392156 361589165 /nfs/dbraw/zinc/58/91/65/361589165.db2.gz MXVNEAWRLIHTSI-KXBFYZLASA-N 2 0 312.461 2.161 20 30 DEEDRP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000268961695 207126085 /nfs/dbraw/zinc/12/60/85/207126085.db2.gz JAOBETMVMGCYGV-RTBURBONSA-N 2 0 313.445 2.416 20 30 DEEDRP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798503 133308029 /nfs/dbraw/zinc/30/80/29/133308029.db2.gz ICZOYBRHQRODRA-IBGZPJMESA-N 2 0 312.461 2.159 20 30 DEEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000186170202 402407731 /nfs/dbraw/zinc/40/77/31/402407731.db2.gz VUFMDSDVPDHYTP-UHFFFAOYSA-N 2 0 313.445 2.411 20 30 DEEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186687633 402454944 /nfs/dbraw/zinc/45/49/44/402454944.db2.gz BEHRQUXHXZLWQE-ZSYWTGECSA-N 2 0 300.446 2.424 20 30 DEEDRP CCSc1cc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)ccn1 ZINC000186883117 402469390 /nfs/dbraw/zinc/46/93/90/402469390.db2.gz WRTVHWDDWXZQEB-AWEZNQCLSA-N 2 0 321.494 2.082 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738131 402598897 /nfs/dbraw/zinc/59/88/97/402598897.db2.gz UGARQQVEKBSUIB-UHFFFAOYSA-N 2 0 303.454 2.248 20 30 DEEDRP C=C(C)C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000181313123 402641160 /nfs/dbraw/zinc/64/11/60/402641160.db2.gz RBFDMBGIYRQHTH-UHFFFAOYSA-N 2 0 315.461 2.407 20 30 DEEDRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278668045 402869640 /nfs/dbraw/zinc/86/96/40/402869640.db2.gz JBPUIWQBIDVERF-MAUKXSAKSA-N 2 0 300.450 2.235 20 30 DEEDRP CN1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278776285 402870732 /nfs/dbraw/zinc/87/07/32/402870732.db2.gz YRZDPRJKMNMJIY-UHFFFAOYSA-N 2 0 324.432 2.043 20 30 DEEDRP C=CCC(CC=C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000268236788 403065213 /nfs/dbraw/zinc/06/52/13/403065213.db2.gz WBEITPBMJDQZKN-UHFFFAOYSA-N 2 0 309.498 2.487 20 30 DEEDRP CCNC(NCc1ccc(OC2CC[NH+](C)CC2)cc1)=[NH+]CC ZINC000283803335 403224909 /nfs/dbraw/zinc/22/49/09/403224909.db2.gz ATKBCSACPJZWGX-UHFFFAOYSA-N 2 0 318.465 2.235 20 30 DEEDRP C=CCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276500201 403181132 /nfs/dbraw/zinc/18/11/32/403181132.db2.gz WDKZGAUVNIORFW-AEFFLSMTSA-N 2 0 315.461 2.274 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277179002 403197869 /nfs/dbraw/zinc/19/78/69/403197869.db2.gz CKWAUMYLISZYIX-HNNXBMFYSA-N 2 0 318.465 2.477 20 30 DEEDRP N#Cc1ccc(OC2CC[NH+](CCn3ccnc3)CC2)c(F)c1 ZINC000285391990 403286723 /nfs/dbraw/zinc/28/67/23/403286723.db2.gz DJPIFNMIBARNTE-UHFFFAOYSA-N 2 0 314.364 2.437 20 30 DEEDRP C=CCOCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000348057287 404024544 /nfs/dbraw/zinc/02/45/44/404024544.db2.gz TXXJHDVCOATHRO-UHFFFAOYSA-N 2 0 309.498 2.070 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000424128217 405015313 /nfs/dbraw/zinc/01/53/13/405015313.db2.gz FBXBQOLIYRETQX-KRWDZBQOSA-N 2 0 320.481 2.122 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)C(C)C ZINC000423330755 405764159 /nfs/dbraw/zinc/76/41/59/405764159.db2.gz GEWQWUKYSQYXRZ-BRWVUGGUSA-N 2 0 307.482 2.189 20 30 DEEDRP C[C@H]1CCCN(C(=[NH2+])NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000262007229 225262099 /nfs/dbraw/zinc/26/20/99/225262099.db2.gz RXGWIRCRDGZELA-HNNXBMFYSA-N 2 0 324.538 2.395 20 30 DEEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000264129271 225307923 /nfs/dbraw/zinc/30/79/23/225307923.db2.gz XMAJEAFRZRDXFB-UHFFFAOYSA-N 2 0 316.449 2.014 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655428 425195755 /nfs/dbraw/zinc/19/57/55/425195755.db2.gz MIQMHQHJTCYEHZ-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1([NH3+])CCCC1)C(C)C ZINC000659437022 425603038 /nfs/dbraw/zinc/60/30/38/425603038.db2.gz YHKUDGGLWNWCJK-MRXNPFEDSA-N 2 0 322.497 2.256 20 30 DEEDRP C=CC[C@]1(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000662683963 425712922 /nfs/dbraw/zinc/71/29/22/425712922.db2.gz XZVPRVNSFZNMLG-JFIYKMOQSA-N 2 0 307.482 2.169 20 30 DEEDRP CC1(C#N)CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333883078 276096600 /nfs/dbraw/zinc/09/66/00/276096600.db2.gz WPMGVMKNTYCQMX-UHFFFAOYSA-N 2 0 304.482 2.265 20 30 DEEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423452579 276887219 /nfs/dbraw/zinc/88/72/19/276887219.db2.gz JWNDPWJLOZCTGL-JZXOWHBKSA-N 2 0 307.482 2.358 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339057961 277609353 /nfs/dbraw/zinc/60/93/53/277609353.db2.gz JSKMHFFUGHIUGQ-WMZOPIPTSA-N 2 0 304.482 2.169 20 30 DEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353640417 278231654 /nfs/dbraw/zinc/23/16/54/278231654.db2.gz UQLXMXJBDPWCEZ-KXBFYZLASA-N 2 0 312.461 2.161 20 30 DEEDRP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@@H](C)O1 ZINC000429684905 288153092 /nfs/dbraw/zinc/15/30/92/288153092.db2.gz NSELJFHWVRXRJG-JOCBIADPSA-N 2 0 305.466 2.500 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262459904 280840202 /nfs/dbraw/zinc/84/02/02/280840202.db2.gz MDHFXSOEJMAFSS-IRXDYDNUSA-N 2 0 322.497 2.081 20 30 DEEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCSCC1 ZINC000262790105 303219330 /nfs/dbraw/zinc/21/93/30/303219330.db2.gz KLBWIOALQHLHDH-OAHLLOKOSA-N 2 0 310.511 2.147 20 30 DEEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121620200 337896165 /nfs/dbraw/zinc/89/61/65/337896165.db2.gz KBEMJPBQGAWDLT-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000074132532 341129533 /nfs/dbraw/zinc/12/95/33/341129533.db2.gz RJJKCRBOJJXWKC-QGZVFWFLSA-N 2 0 322.497 2.153 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001398794694 1161105214 /nfs/dbraw/zinc/10/52/14/1161105214.db2.gz PRXOMXNBKKEKIE-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C/C=C\C[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000451677861 534572591 /nfs/dbraw/zinc/57/25/91/534572591.db2.gz CXXNGYPZRLCDGB-QXINXSKUSA-N 2 0 306.450 2.189 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001327474097 1148563393 /nfs/dbraw/zinc/56/33/93/1148563393.db2.gz GZCCTORWJIODOR-QGZVFWFLSA-N 2 0 321.509 2.491 20 30 DEEDRP C[NH+]=C(NCC1(C2CC2)CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261961268 526350006 /nfs/dbraw/zinc/35/00/06/526350006.db2.gz KGJICIYCAKNBTF-XJKSGUPXSA-N 2 0 304.482 2.214 20 30 DEEDRP C[NH+]=C(NCCCC[NH+]1CCC(C)CC1)NCc1ccco1 ZINC000264083781 526354584 /nfs/dbraw/zinc/35/45/84/526354584.db2.gz VCEOZUCRAYQONW-UHFFFAOYSA-N 2 0 306.454 2.457 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262489881 526368843 /nfs/dbraw/zinc/36/88/43/526368843.db2.gz UKKBIKUYQYQNPC-SJORKVTESA-N 2 0 304.482 2.478 20 30 DEEDRP C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262014119 526382804 /nfs/dbraw/zinc/38/28/04/526382804.db2.gz XJFOYQIRWIYKDX-IAQYHMDHSA-N 2 0 306.479 2.204 20 30 DEEDRP C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262014121 526382995 /nfs/dbraw/zinc/38/29/95/526382995.db2.gz XJFOYQIRWIYKDX-XHDPSFHLSA-N 2 0 306.479 2.204 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000338222066 526703637 /nfs/dbraw/zinc/70/36/37/526703637.db2.gz SEXVOJSGAPSIDZ-UHFFFAOYSA-N 2 0 313.445 2.493 20 30 DEEDRP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC000262231522 527314020 /nfs/dbraw/zinc/31/40/20/527314020.db2.gz ABOFHKGELCKRBL-CVEARBPZSA-N 2 0 318.852 2.403 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000267855296 527712722 /nfs/dbraw/zinc/71/27/22/527712722.db2.gz MMJCJXHIWRNJPS-INIZCTEOSA-N 2 0 306.454 2.387 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000949800363 625428321 /nfs/dbraw/zinc/42/83/21/625428321.db2.gz IDVOYBMDIPFGQJ-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459487 625452818 /nfs/dbraw/zinc/45/28/18/625452818.db2.gz OKHPGJCAMPFEPY-HUUCEWRRSA-N 2 0 324.428 2.417 20 30 DEEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114317 622566690 /nfs/dbraw/zinc/56/66/90/622566690.db2.gz GKODFIXNDIDYIK-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000969156498 622596623 /nfs/dbraw/zinc/59/66/23/622596623.db2.gz UJJGIYJZRGQLNY-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970028733 623063441 /nfs/dbraw/zinc/06/34/41/623063441.db2.gz WKOZVMRMKVWIQJ-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575933 623779593 /nfs/dbraw/zinc/77/95/93/623779593.db2.gz PFRCHBKHHFQJIA-CVEARBPZSA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021604147 623817487 /nfs/dbraw/zinc/81/74/87/623817487.db2.gz BGIIBEKBEZRWEG-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978800619 634423572 /nfs/dbraw/zinc/42/35/72/634423572.db2.gz SKHHXZHCHNOKBJ-ZJPYXAASSA-N 2 0 319.493 2.119 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)CC1 ZINC000893021339 625057127 /nfs/dbraw/zinc/05/71/27/625057127.db2.gz BNCHIKPPDCXXIX-WMZOPIPTSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372791 625242290 /nfs/dbraw/zinc/24/22/90/625242290.db2.gz XZQAUFMTXGJOHC-FUHWJXTLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001019823388 625838798 /nfs/dbraw/zinc/83/87/98/625838798.db2.gz HWQLSCLIRJHPCE-GJZGRUSLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995896398 633135807 /nfs/dbraw/zinc/13/58/07/633135807.db2.gz NGZYHYMSOARHJD-ZDUSSCGKSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997390990 633752541 /nfs/dbraw/zinc/75/25/41/633752541.db2.gz SUENBEWQTGOKLQ-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027418227 633757924 /nfs/dbraw/zinc/75/79/24/633757924.db2.gz UVSNHZSBCSEQIT-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480889 633865001 /nfs/dbraw/zinc/86/50/01/633865001.db2.gz NAHANPKFCSBQSM-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492013 633887114 /nfs/dbraw/zinc/88/71/14/633887114.db2.gz FNUKZQIZJKPRHD-KRWDZBQOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006286 634106825 /nfs/dbraw/zinc/10/68/25/634106825.db2.gz KLEUKFLOEUOJAE-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575651 634181750 /nfs/dbraw/zinc/18/17/50/634181750.db2.gz BTNJMJLYSFFNRD-GJZGRUSLSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628660 634334013 /nfs/dbraw/zinc/33/40/13/634334013.db2.gz HOWVTUUECPGNNF-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925245 634980215 /nfs/dbraw/zinc/98/02/15/634980215.db2.gz QIWMGVOPAWWSSO-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925773463 635007172 /nfs/dbraw/zinc/00/71/72/635007172.db2.gz YMYMVKIFYQKFQC-KYJSFNMBSA-N 2 0 302.418 2.159 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001000530112 635221629 /nfs/dbraw/zinc/22/16/29/635221629.db2.gz DTASHMVDCCLRKZ-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001000671464 635272254 /nfs/dbraw/zinc/27/22/54/635272254.db2.gz HIQFTLPYPQGKCC-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000683508 635275861 /nfs/dbraw/zinc/27/58/61/635275861.db2.gz ULDZXKVVEWKSSA-ROUUACIJSA-N 2 0 317.477 2.185 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000981338789 635443642 /nfs/dbraw/zinc/44/36/42/635443642.db2.gz ZSGUADPYIKIHHB-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981510675 635510248 /nfs/dbraw/zinc/51/02/48/635510248.db2.gz WSBHRMWRGAJJFZ-UHFFFAOYSA-N 2 0 312.417 2.367 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001001821404 635555927 /nfs/dbraw/zinc/55/59/27/635555927.db2.gz BSUZXBMODBFLST-OAHLLOKOSA-N 2 0 316.449 2.234 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001922754 635578095 /nfs/dbraw/zinc/57/80/95/635578095.db2.gz AJQXGBVNHFKGKF-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000981825321 635671702 /nfs/dbraw/zinc/67/17/02/635671702.db2.gz PSWDSWMXVJULJO-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848344 635691204 /nfs/dbraw/zinc/69/12/04/635691204.db2.gz KXBXYGKPURKZGD-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982152090 635891130 /nfs/dbraw/zinc/89/11/30/635891130.db2.gz RKJREYSKJFPTNI-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982152091 635891303 /nfs/dbraw/zinc/89/13/03/635891303.db2.gz RKJREYSKJFPTNI-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253689 635963335 /nfs/dbraw/zinc/96/33/35/635963335.db2.gz FGYGREGUTWTBFR-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028333037 636133310 /nfs/dbraw/zinc/13/33/10/636133310.db2.gz IGLXXYGZEOQQSG-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000922389643 636148339 /nfs/dbraw/zinc/14/83/39/636148339.db2.gz VHSGNCRGIACEQZ-YRXWBPOGSA-N 2 0 313.445 2.128 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553150 636261994 /nfs/dbraw/zinc/26/19/94/636261994.db2.gz IQZKKBFJURRDJA-KDURUIRLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537248 636329611 /nfs/dbraw/zinc/32/96/11/636329611.db2.gz KOXMBPNIQGPCOC-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579551 636372235 /nfs/dbraw/zinc/37/22/35/636372235.db2.gz GVXBKDKFHHTEJT-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647446 636544716 /nfs/dbraw/zinc/54/47/16/636544716.db2.gz IGQQAMNVSLVVLB-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC(C)CNC(=[NH2+])NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187056307 636907670 /nfs/dbraw/zinc/90/76/70/636907670.db2.gz QZUGYKFTZKCSHW-QGZVFWFLSA-N 2 0 302.466 2.457 20 30 DEEDRP C=CCC[C@H](O)CN(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923335799 637122228 /nfs/dbraw/zinc/12/22/28/637122228.db2.gz DULFZHDOMJNLLX-CABCVRRESA-N 2 0 309.479 2.190 20 30 DEEDRP 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 637189262 /nfs/dbraw/zinc/18/92/62/637189262.db2.gz UNINZRKHNCOZRQ-XLAORIBOSA-N 2 0 319.493 2.216 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001006088530 637189581 /nfs/dbraw/zinc/18/95/81/637189581.db2.gz SEQITBJAPUHWAZ-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895098359 637554267 /nfs/dbraw/zinc/55/42/67/637554267.db2.gz JXDDMTDYRNSUMI-QXAKKESOSA-N 2 0 300.446 2.261 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000985656382 639567117 /nfs/dbraw/zinc/56/71/17/639567117.db2.gz XHJCLZJCGCSBEV-CYBMUJFWSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000763970006 640591109 /nfs/dbraw/zinc/59/11/09/640591109.db2.gz GBLDNGHKSNXNAH-QGZVFWFLSA-N 2 0 301.434 2.058 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000764146903 640610958 /nfs/dbraw/zinc/61/09/58/640610958.db2.gz QSZNFXQKNYFYOE-KRWDZBQOSA-N 2 0 301.434 2.058 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000764522316 640649655 /nfs/dbraw/zinc/64/96/55/640649655.db2.gz LJWUERCGDFYARM-MRXNPFEDSA-N 2 0 315.461 2.446 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989451537 641011220 /nfs/dbraw/zinc/01/12/20/641011220.db2.gz TXYKTVHAHCNLJR-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000771755517 641545031 /nfs/dbraw/zinc/54/50/31/641545031.db2.gz DPFPKYQVUHRZIS-QGZVFWFLSA-N 2 0 303.450 2.302 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990683084 641600925 /nfs/dbraw/zinc/60/09/25/641600925.db2.gz IVEQVLQAJWDPAL-ZIFCJYIRSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000900492640 642386502 /nfs/dbraw/zinc/38/65/02/642386502.db2.gz VGKZGFTXLZFOMA-MRXNPFEDSA-N 2 0 319.449 2.349 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](c1ccccc1)N(C)CC ZINC000780353757 642615058 /nfs/dbraw/zinc/61/50/58/642615058.db2.gz GZJMWTPNTOIMHJ-ROUUACIJSA-N 2 0 314.429 2.320 20 30 DEEDRP CSC1(C[NH2+][C@H](C)c2cc(C#N)ccn2)CC[NH+](C)CC1 ZINC000902992223 643213827 /nfs/dbraw/zinc/21/38/27/643213827.db2.gz HXYVERYNMMGSFC-CYBMUJFWSA-N 2 0 304.463 2.431 20 30 DEEDRP C[C@H]1[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1C ZINC000903301386 643310423 /nfs/dbraw/zinc/31/04/23/643310423.db2.gz QGYASKCOCPBQGU-HNAYVOBHSA-N 2 0 312.461 2.205 20 30 DEEDRP C=CCc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1O ZINC000903974172 643531671 /nfs/dbraw/zinc/53/16/71/643531671.db2.gz KTYCPCBSLPCJNO-CZUORRHYSA-N 2 0 304.434 2.465 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044976 643621834 /nfs/dbraw/zinc/62/18/34/643621834.db2.gz SENJBIKSXWOVBZ-YQVWRLOYSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991619185 646547838 /nfs/dbraw/zinc/54/78/38/646547838.db2.gz FAJIUISTOYODNO-WMZOPIPTSA-N 2 0 310.401 2.247 20 30 DEEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000817919750 647381859 /nfs/dbraw/zinc/38/18/59/647381859.db2.gz VTVWNUUMPXKDBM-PAYONLEZSA-N 2 0 317.433 2.209 20 30 DEEDRP N#Cc1ccc([C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000819333010 647637605 /nfs/dbraw/zinc/63/76/05/647637605.db2.gz DXOXLBNNQXQYPX-GOSISDBHSA-N 2 0 301.434 2.447 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993481733 647684082 /nfs/dbraw/zinc/68/40/82/647684082.db2.gz SGOOCACYGKVEQE-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928479 647763002 /nfs/dbraw/zinc/76/30/02/647763002.db2.gz NNEZIMISYIAUHL-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994057670 647782405 /nfs/dbraw/zinc/78/24/05/647782405.db2.gz RFMSKCPTQNKJNQ-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939448638 648652598 /nfs/dbraw/zinc/65/25/98/648652598.db2.gz SJMUMYYYVZOAPI-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785584 648941141 /nfs/dbraw/zinc/94/11/41/648941141.db2.gz OIHWHURKPBQCJT-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941162928 649011662 /nfs/dbraw/zinc/01/16/62/649011662.db2.gz CEBVAZOHGODEAK-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257924 649192156 /nfs/dbraw/zinc/19/21/56/649192156.db2.gz MUWZSIDMMHHLBG-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439281 649215642 /nfs/dbraw/zinc/21/56/42/649215642.db2.gz LWPYDWNCJMXAKU-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555227 649245603 /nfs/dbraw/zinc/24/56/03/649245603.db2.gz GRZBPQHMOKXSHU-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821178 649289633 /nfs/dbraw/zinc/28/96/33/649289633.db2.gz CVXFVFWIOKPLHR-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047663 649475541 /nfs/dbraw/zinc/47/55/41/649475541.db2.gz UYPURBAWDIFDQS-QAPCUYQASA-N 2 0 319.493 2.121 20 30 DEEDRP C[NH+](C)C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCC1 ZINC000083029883 649640684 /nfs/dbraw/zinc/64/06/84/649640684.db2.gz QPFJVRUMLWSILA-OAHLLOKOSA-N 2 0 316.449 2.289 20 30 DEEDRP CC[NH+](CC)CCOCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000849081491 651599443 /nfs/dbraw/zinc/59/94/43/651599443.db2.gz BDKWWSGQOMMZJC-UHFFFAOYSA-N 2 0 320.481 2.052 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001393880428 1158041528 /nfs/dbraw/zinc/04/15/28/1158041528.db2.gz BYZSOTKWPGEWIO-KBPBESRZSA-N 2 0 301.862 2.002 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(C)c1 ZINC000304792559 685261878 /nfs/dbraw/zinc/26/18/78/685261878.db2.gz LCKWDTWOJWNUNG-CVEARBPZSA-N 2 0 318.465 2.151 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000392799092 685450535 /nfs/dbraw/zinc/45/05/35/685450535.db2.gz QNOLFMWMOJHSBK-OAHLLOKOSA-N 2 0 302.418 2.281 20 30 DEEDRP C=CCNC(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)=[NH+]C ZINC000081984296 683995343 /nfs/dbraw/zinc/99/53/43/683995343.db2.gz QVJULMZOROZZNE-ZFWWWQNUSA-N 2 0 306.479 2.482 20 30 DEEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C1 ZINC000104178887 684059128 /nfs/dbraw/zinc/05/91/28/684059128.db2.gz LPOAVEQNFJFMAB-OKILXGFUSA-N 2 0 312.527 2.106 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054245493 693898912 /nfs/dbraw/zinc/89/89/12/693898912.db2.gz UFFCCLLPDIAFFI-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NCCc1ccccc1 ZINC000303777087 685234618 /nfs/dbraw/zinc/23/46/18/685234618.db2.gz IPFYCJRNUZOQGR-INIZCTEOSA-N 2 0 302.466 2.398 20 30 DEEDRP C[C@@H]1CCC[N@H+](CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303868919 685236920 /nfs/dbraw/zinc/23/69/20/685236920.db2.gz APZCWWOTNJAEEP-MRXNPFEDSA-N 2 0 302.466 2.426 20 30 DEEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000303900897 685238998 /nfs/dbraw/zinc/23/89/98/685238998.db2.gz SLEZZFZLVQJRPL-ZDUSSCGKSA-N 2 0 320.437 2.162 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(F)cc1 ZINC000303984144 685242304 /nfs/dbraw/zinc/24/23/04/685242304.db2.gz RUMFOMAKWCAEDH-INIZCTEOSA-N 2 0 320.456 2.492 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662534 687677396 /nfs/dbraw/zinc/67/73/96/687677396.db2.gz KLONDYLSLBMASZ-IAGOWNOFSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001017633368 687929104 /nfs/dbraw/zinc/92/91/04/687929104.db2.gz VYDOEMZVPWCYEZ-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017639620 687929935 /nfs/dbraw/zinc/92/99/35/687929935.db2.gz OQYDOQVRAOHQRS-BBWFWOEESA-N 2 0 307.482 2.214 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017736448 687951333 /nfs/dbraw/zinc/95/13/33/687951333.db2.gz SZNJVISWDNCNIV-CALCHBBNSA-N 2 0 310.401 2.199 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020340683 688506110 /nfs/dbraw/zinc/50/61/10/688506110.db2.gz VRXNNJLBZZRGKB-KKUMJFAQSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001032399810 689140316 /nfs/dbraw/zinc/14/03/16/689140316.db2.gz IOFAQSPYQGEMDF-YESZJQIVSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033145890 689403570 /nfs/dbraw/zinc/40/35/70/689403570.db2.gz LNGBDFHFEILXEN-IAGOWNOFSA-N 2 0 305.466 2.112 20 30 DEEDRP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932351 689665943 /nfs/dbraw/zinc/66/59/43/689665943.db2.gz LWFBDMVXRWQMKV-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204257 689761910 /nfs/dbraw/zinc/76/19/10/689761910.db2.gz LDKQVRNCSYVIHQ-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310384 689805682 /nfs/dbraw/zinc/80/56/82/689805682.db2.gz XECAKWPPUNCURO-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340031 689814203 /nfs/dbraw/zinc/81/42/03/689814203.db2.gz LJABUFZVOLLYAO-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432022 689847534 /nfs/dbraw/zinc/84/75/34/689847534.db2.gz RXITWZDFAGIJGO-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437529 689851012 /nfs/dbraw/zinc/85/10/12/689851012.db2.gz GXAQCTAUYKXXOG-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034486559 689869562 /nfs/dbraw/zinc/86/95/62/689869562.db2.gz BGXRHKIQJSPJPC-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034662891 689922484 /nfs/dbraw/zinc/92/24/84/689922484.db2.gz MWDKNQAUVCEDHS-JFIYKMOQSA-N 2 0 317.477 2.044 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000876884444 689963638 /nfs/dbraw/zinc/96/36/38/689963638.db2.gz JCFVSHBYQWCPDP-ZDUSSCGKSA-N 2 0 315.870 2.108 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035708667 690157374 /nfs/dbraw/zinc/15/73/74/690157374.db2.gz YJSNWLIXOUGEFM-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP COCC[N@@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000877664977 690182841 /nfs/dbraw/zinc/18/28/41/690182841.db2.gz AJHHRXQJKMZQNA-UHFFFAOYSA-N 2 0 301.434 2.348 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035857382 690194955 /nfs/dbraw/zinc/19/49/55/690194955.db2.gz BEVLBXCYKACZCA-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001036084280 690256385 /nfs/dbraw/zinc/25/63/85/690256385.db2.gz PSDCVWXVRRTLMD-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001036314703 690318694 /nfs/dbraw/zinc/31/86/94/690318694.db2.gz ZXQKUZJXZOWABU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036737776 690453841 /nfs/dbraw/zinc/45/38/41/690453841.db2.gz WDURUJOKEMOULB-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773549 690469862 /nfs/dbraw/zinc/46/98/62/690469862.db2.gz PHSFXJWLODCWDS-QAPCUYQASA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903583 690522589 /nfs/dbraw/zinc/52/25/89/690522589.db2.gz CPZDMYSMQJROMA-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000879167384 690582710 /nfs/dbraw/zinc/58/27/10/690582710.db2.gz GPENKNFMQIYXSD-MRXNPFEDSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001037870750 690628543 /nfs/dbraw/zinc/62/85/43/690628543.db2.gz XBAUTZMZXRWLMK-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038624900 690878863 /nfs/dbraw/zinc/87/88/63/690878863.db2.gz OWZSKTVQRGWZBF-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038815530 690932567 /nfs/dbraw/zinc/93/25/67/690932567.db2.gz FYCNKOQCAXBSOO-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224710 691060247 /nfs/dbraw/zinc/06/02/47/691060247.db2.gz IPSZMDOUKPUTCH-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039297759 691076813 /nfs/dbraw/zinc/07/68/13/691076813.db2.gz QSPOHUSZIKKSGN-ALOPSCKCSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001039343246 691085383 /nfs/dbraw/zinc/08/53/83/691085383.db2.gz MXSANCXBYUSBKK-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392079 691096255 /nfs/dbraw/zinc/09/62/55/691096255.db2.gz CIHPOHPGILORCQ-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039423689 691102820 /nfs/dbraw/zinc/10/28/20/691102820.db2.gz HILBGPDVDAOCCS-KSZLIROESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250549 691220364 /nfs/dbraw/zinc/22/03/64/691220364.db2.gz QVVVNNDOENQHAS-WMZOPIPTSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395442 691242673 /nfs/dbraw/zinc/24/26/73/691242673.db2.gz PYINEJARSARNSX-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040527110 691261767 /nfs/dbraw/zinc/26/17/67/691261767.db2.gz FSTGPRHGIWNCKH-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040747068 691284517 /nfs/dbraw/zinc/28/45/17/691284517.db2.gz LDNKXLUFUWZKSN-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041373800 691368406 /nfs/dbraw/zinc/36/84/06/691368406.db2.gz XSKJRRVEJWJPHN-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624575 691402702 /nfs/dbraw/zinc/40/27/02/691402702.db2.gz BJARZPXBPKYRBB-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371150 691585000 /nfs/dbraw/zinc/58/50/00/691585000.db2.gz MBRUUXNTVKVCET-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044764687 691883529 /nfs/dbraw/zinc/88/35/29/691883529.db2.gz CJFVZBPDLNDMSO-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543120 692643426 /nfs/dbraw/zinc/64/34/26/692643426.db2.gz MUKALUMLOIPCMM-BJWYYQGGSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049592766 692934589 /nfs/dbraw/zinc/93/45/89/692934589.db2.gz JRUMNLUIYBBCOG-SJORKVTESA-N 2 0 310.401 2.199 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095556 693107043 /nfs/dbraw/zinc/10/70/43/693107043.db2.gz UPFNWMKSJRJRNV-WMLDXEAASA-N 2 0 310.401 2.057 20 30 DEEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000924873812 693195538 /nfs/dbraw/zinc/19/55/38/693195538.db2.gz OLVUQOODQZIMTI-OAHLLOKOSA-N 2 0 306.498 2.463 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050519443 693199835 /nfs/dbraw/zinc/19/98/35/693199835.db2.gz IHXDOFKOVBUYJR-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001050708147 693235627 /nfs/dbraw/zinc/23/56/27/693235627.db2.gz MCOZLTVWQGLTEO-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050728444 693239272 /nfs/dbraw/zinc/23/92/72/693239272.db2.gz SHUUQPOHKQTRFX-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052529497 693559735 /nfs/dbraw/zinc/55/97/35/693559735.db2.gz RMWIFYPTBOGWQK-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052592783 693574488 /nfs/dbraw/zinc/57/44/88/693574488.db2.gz YUYUEWFSSPOWOS-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651727 693588741 /nfs/dbraw/zinc/58/87/41/693588741.db2.gz MNTIHXKTJKGDDH-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052679722 693594430 /nfs/dbraw/zinc/59/44/30/693594430.db2.gz BGKNXJTUPHTUIR-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052866015 693637137 /nfs/dbraw/zinc/63/71/37/693637137.db2.gz UDFDZTCVHWZCSC-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052956282 693656786 /nfs/dbraw/zinc/65/67/86/693656786.db2.gz RGUUWOSDMNFVEX-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001480083934 1151584405 /nfs/dbraw/zinc/58/44/05/1151584405.db2.gz IKPBHIBTTUHKOU-MSOLQXFVSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001353483279 1151833468 /nfs/dbraw/zinc/83/34/68/1151833468.db2.gz SYTOEKWBLIZGPK-GOSISDBHSA-N 2 0 315.461 2.235 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001353509228 1151835240 /nfs/dbraw/zinc/83/52/40/1151835240.db2.gz WTESBXVLMAXEGN-SJORKVTESA-N 2 0 303.450 2.398 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001381020498 1152893769 /nfs/dbraw/zinc/89/37/69/1152893769.db2.gz QUJGMMUNGPDPTM-CQSZACIVSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001371079900 1155688083 /nfs/dbraw/zinc/68/80/83/1155688083.db2.gz UVDNKZYFYFRNFL-RUXDESIVSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001390607996 1155813187 /nfs/dbraw/zinc/81/31/87/1155813187.db2.gz HNMBJEHLJZNVGE-UONOGXRCSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001392119067 1156871563 /nfs/dbraw/zinc/87/15/63/1156871563.db2.gz NHXDPMKEYWRVBN-AWEZNQCLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)CN1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001392995404 1157596028 /nfs/dbraw/zinc/59/60/28/1157596028.db2.gz WYHYWTBTELQVQO-MRXNPFEDSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001374436517 1157854849 /nfs/dbraw/zinc/85/48/49/1157854849.db2.gz AOQVAAPYRSBZHX-HNNXBMFYSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001376685215 1159677847 /nfs/dbraw/zinc/67/78/47/1159677847.db2.gz PKNYIPHNRLIOPP-OAHLLOKOSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001401230881 1161899434 /nfs/dbraw/zinc/89/94/34/1161899434.db2.gz ZFUMUAXJLJZVQN-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001418314833 1167570189 /nfs/dbraw/zinc/57/01/89/1167570189.db2.gz BIJSVUYMAQKTPK-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001420000920 1169050320 /nfs/dbraw/zinc/05/03/20/1169050320.db2.gz YVCYMRVXGNKYIA-GJZGRUSLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001420000925 1169050645 /nfs/dbraw/zinc/05/06/45/1169050645.db2.gz YVCYMRVXGNKYIA-LSDHHAIUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001424073304 1173643439 /nfs/dbraw/zinc/64/34/39/1173643439.db2.gz WYGAPMUSTAUHPE-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001424210054 1173701952 /nfs/dbraw/zinc/70/19/52/1173701952.db2.gz GGWAFCGAOUEBRV-UHFFFAOYSA-N 2 0 313.873 2.243 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001424476483 1173802664 /nfs/dbraw/zinc/80/26/64/1173802664.db2.gz REVHBJQIXUCGAY-UHFFFAOYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001437333664 1179731705 /nfs/dbraw/zinc/73/17/05/1179731705.db2.gz QBVIWGJXBUFXQQ-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001438607382 1180656993 /nfs/dbraw/zinc/65/69/93/1180656993.db2.gz MTDQFZPYSHNWCO-ZDUSSCGKSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001438734662 1180800934 /nfs/dbraw/zinc/80/09/34/1180800934.db2.gz XMCLCXGORXACKY-AWEZNQCLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001438816680 1180821975 /nfs/dbraw/zinc/82/19/75/1180821975.db2.gz VTRHVTJNHIJCJE-CQSZACIVSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001440537593 1181586588 /nfs/dbraw/zinc/58/65/88/1181586588.db2.gz KOXUKRRTQYQIDV-INIZCTEOSA-N 2 0 313.873 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001441096008 1181846387 /nfs/dbraw/zinc/84/63/87/1181846387.db2.gz ZLPFRXRPRXVELB-HUUCEWRRSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001445661128 1183958051 /nfs/dbraw/zinc/95/80/51/1183958051.db2.gz XMEYSXCKTKYCEP-AWEZNQCLSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001370566571 1149811021 /nfs/dbraw/zinc/81/10/21/1149811021.db2.gz VBVPDOYWBRYGKZ-RBSFLKMASA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001333179334 1150011495 /nfs/dbraw/zinc/01/14/95/1150011495.db2.gz FIPSZQJXSHVVPG-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)c(F)c1 ZINC001333473421 1150055118 /nfs/dbraw/zinc/05/51/18/1150055118.db2.gz OSDDINLYNGWLTH-QGZVFWFLSA-N 2 0 321.440 2.448 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050042 790419109 /nfs/dbraw/zinc/41/91/09/790419109.db2.gz HEBKWNOKVWPPGJ-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599985 777374650 /nfs/dbraw/zinc/37/46/50/777374650.db2.gz ZRMOGNUBCCSCFQ-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCOC(=O)[C@@H](N)CCCCNc1cc2cc[nH]c2cn1 ZINC001171069054 790549741 /nfs/dbraw/zinc/54/97/41/790549741.db2.gz ZTTPZJSSNXEHSN-ZDUSSCGKSA-N 2 0 302.378 2.202 20 30 DEEDRP N#Cc1ccc(CCNc2ncccc2N2CC[NH2+]CC2)cc1 ZINC001167678414 777627917 /nfs/dbraw/zinc/62/79/17/777627917.db2.gz HEXFOZGTCPBJRJ-UHFFFAOYSA-N 2 0 307.401 2.017 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595644 777957575 /nfs/dbraw/zinc/95/75/75/777957575.db2.gz WVEWILBDZYIFKV-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100382999 778788971 /nfs/dbraw/zinc/78/89/71/778788971.db2.gz GXCYLFXICWPCEI-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001088369257 780029729 /nfs/dbraw/zinc/02/97/29/780029729.db2.gz FAWYWKLPQPJJFK-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101437032 780054886 /nfs/dbraw/zinc/05/48/86/780054886.db2.gz ZFTMKHMWLZPHIS-MJGOQNOKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001091053030 790861126 /nfs/dbraw/zinc/86/11/26/790861126.db2.gz OPZZWPVHDQXKCC-UHFFFAOYSA-N 2 0 321.490 2.484 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091064751 790889207 /nfs/dbraw/zinc/88/92/07/790889207.db2.gz OOLVDZBXWMXNQV-CGZBRXJRSA-N 2 0 307.482 2.025 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947882540 783254468 /nfs/dbraw/zinc/25/44/68/783254468.db2.gz UXEDDNKLAWNCLA-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910826 783420431 /nfs/dbraw/zinc/42/04/31/783420431.db2.gz QJDFHIRGFHKZPE-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948386079 783448709 /nfs/dbraw/zinc/44/87/09/783448709.db2.gz SLNQNRYJJBVIGV-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948386077 783449043 /nfs/dbraw/zinc/44/90/43/783449043.db2.gz SLNQNRYJJBVIGV-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085225339 783590468 /nfs/dbraw/zinc/59/04/68/783590468.db2.gz RXBJQKADTZPCDX-KURKYZTESA-N 2 0 317.477 2.044 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967208221 783905973 /nfs/dbraw/zinc/90/59/73/783905973.db2.gz RNZCHWDPLJQTPJ-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119656 784420362 /nfs/dbraw/zinc/42/03/62/784420362.db2.gz VZFDREUMDXKIFS-TWMKSMIVSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(=C)C ZINC000968892893 784640048 /nfs/dbraw/zinc/64/00/48/784640048.db2.gz DPPBOGPTXAZBJI-MSOLQXFVSA-N 2 0 317.477 2.021 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007498325 784937926 /nfs/dbraw/zinc/93/79/26/784937926.db2.gz ZVTOJGFGLUOZTD-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108794151 785540360 /nfs/dbraw/zinc/54/03/60/785540360.db2.gz PHYKIERNBUSCHQ-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnc1C)C2 ZINC001109845145 786083413 /nfs/dbraw/zinc/08/34/13/786083413.db2.gz WSDQXXSZKDXGAM-IKGGRYGDSA-N 2 0 316.449 2.269 20 30 DEEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578993 786163637 /nfs/dbraw/zinc/16/36/37/786163637.db2.gz RDBBKHXXIYCXBY-HKUYNNGSSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015060040 786880464 /nfs/dbraw/zinc/88/04/64/786880464.db2.gz RMFQHMGBEQIZTM-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 788024470 /nfs/dbraw/zinc/02/44/70/788024470.db2.gz WNAJWHUKQOZWRX-VQHPVUNQSA-N 2 0 305.466 2.157 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315189 788059325 /nfs/dbraw/zinc/05/93/25/788059325.db2.gz ORKJXCMTSZBBFY-ZACQAIPSSA-N 2 0 317.477 2.160 20 30 DEEDRP C#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420061 788061997 /nfs/dbraw/zinc/06/19/97/788061997.db2.gz MGBIGZHGFXEVKF-ZWKOTPCHSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524091 788113612 /nfs/dbraw/zinc/11/36/12/788113612.db2.gz CZOIMPBUVHZMCK-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973362 788239698 /nfs/dbraw/zinc/23/96/98/788239698.db2.gz KMNNPKBVCCDEAZ-HOCLYGCPSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133072900 788268048 /nfs/dbraw/zinc/26/80/48/788268048.db2.gz MHYVRWHWJSQDTB-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133250226 788333965 /nfs/dbraw/zinc/33/39/65/788333965.db2.gz RKTGJNJQWNDUEX-HUUCEWRRSA-N 2 0 316.449 2.021 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345926 788375175 /nfs/dbraw/zinc/37/51/75/788375175.db2.gz IHABEUKTCLYWJQ-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808783 789097823 /nfs/dbraw/zinc/09/78/23/789097823.db2.gz LUIAJNYDHQUEEW-ZIAGYGMSSA-N 2 0 312.417 2.153 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135334882 789292745 /nfs/dbraw/zinc/29/27/45/789292745.db2.gz WXKSYXZMFQSJMA-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944304 789569166 /nfs/dbraw/zinc/56/91/66/789569166.db2.gz IHPVXOBSVWCWPZ-UONOGXRCSA-N 2 0 304.438 2.210 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961237 789580328 /nfs/dbraw/zinc/58/03/28/789580328.db2.gz NOVPUPRCIYIIRV-UONOGXRCSA-N 2 0 303.878 2.344 20 30 DEEDRP C[Si](C)(C)C#Cc1cc(Cl)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170896285 789643325 /nfs/dbraw/zinc/64/33/25/789643325.db2.gz DQRZJSDJBRELFL-ZDUSSCGKSA-N 2 0 310.905 2.400 20 30 DEEDRP N#Cc1c(Cl)cc(Br)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900009 789644977 /nfs/dbraw/zinc/64/49/77/789644977.db2.gz HGNCEDGELTVXTI-LLVKDONJSA-N 2 0 317.618 2.410 20 30 DEEDRP 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 789739896 /nfs/dbraw/zinc/73/98/96/789739896.db2.gz RRSOXEYSLHSZGT-KURKYZTESA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735527 789896433 /nfs/dbraw/zinc/89/64/33/789896433.db2.gz NMVHREUMOFFNDJ-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071930571 789977254 /nfs/dbraw/zinc/97/72/54/789977254.db2.gz HCCVLSLNVYMMHO-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584700 791309772 /nfs/dbraw/zinc/30/97/72/791309772.db2.gz UNEGBMSFFITSNI-CVEARBPZSA-N 2 0 315.461 2.258 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC=C)CC1 ZINC001146614571 791323680 /nfs/dbraw/zinc/32/36/80/791323680.db2.gz YPAJFVVZWMHUDD-IAGOWNOFSA-N 2 0 319.493 2.171 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146700873 791335495 /nfs/dbraw/zinc/33/54/95/791335495.db2.gz ISOPMAKUDPVEKG-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147429525 791529523 /nfs/dbraw/zinc/52/95/23/791529523.db2.gz SOJHMUSBVPRRGE-SFHVURJKSA-N 2 0 303.450 2.135 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725727 791607961 /nfs/dbraw/zinc/60/79/61/791607961.db2.gz YZFQKLOYLHTSPT-WBVHZDCISA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147787884 791624445 /nfs/dbraw/zinc/62/44/45/791624445.db2.gz LETWPZAMENNBKQ-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147836577 791634545 /nfs/dbraw/zinc/63/45/45/791634545.db2.gz ZBXOLEGDSFCQBK-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205157 791706472 /nfs/dbraw/zinc/70/64/72/791706472.db2.gz ANHGPLUWHNVWGG-MRXNPFEDSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130608 791934733 /nfs/dbraw/zinc/93/47/33/791934733.db2.gz CRVBKKYQUQTLCH-MJGOQNOKSA-N 2 0 319.493 2.075 20 30 DEEDRP 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 791943334 /nfs/dbraw/zinc/94/33/34/791943334.db2.gz DDOMSMHXCHJAMN-LMMKCTJWSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092602981 792081808 /nfs/dbraw/zinc/08/18/08/792081808.db2.gz PNSKMOOWWMPCLD-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116486 792101467 /nfs/dbraw/zinc/10/14/67/792101467.db2.gz RSYXBYROOFUKFN-CVEARBPZSA-N 2 0 309.498 2.365 20 30 DEEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130769 792107573 /nfs/dbraw/zinc/10/75/73/792107573.db2.gz RGPMBBPZCCXISL-MRXNPFEDSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001092757690 792123504 /nfs/dbraw/zinc/12/35/04/792123504.db2.gz GUXLNOGBLBIDIS-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001092757691 792123611 /nfs/dbraw/zinc/12/36/11/792123611.db2.gz GUXLNOGBLBIDIS-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310551 792166655 /nfs/dbraw/zinc/16/66/55/792166655.db2.gz PHHSYYMUYFACPU-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100383014 792621409 /nfs/dbraw/zinc/62/14/09/792621409.db2.gz HNRJXIDYMLGOAB-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100418801 792638199 /nfs/dbraw/zinc/63/81/99/792638199.db2.gz GRXLFAKUWXWUFQ-YMAMQOFZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100418800 792638716 /nfs/dbraw/zinc/63/87/16/792638716.db2.gz GRXLFAKUWXWUFQ-NRXISQOPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430856 792916233 /nfs/dbraw/zinc/91/62/33/792916233.db2.gz XVXREKTZKUVTDL-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101568032 793236656 /nfs/dbraw/zinc/23/66/56/793236656.db2.gz KPBODDXGSUOBLN-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172510317 793441020 /nfs/dbraw/zinc/44/10/20/793441020.db2.gz ZUMOPSATKRNQPL-SFHVURJKSA-N 2 0 304.482 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001094922411 793443207 /nfs/dbraw/zinc/44/32/07/793443207.db2.gz CRABQCKKKIPCLM-BBWFWOEESA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374362 794062552 /nfs/dbraw/zinc/06/25/52/794062552.db2.gz CYAHDJGWQAZQRD-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001174882811 794082331 /nfs/dbraw/zinc/08/23/31/794082331.db2.gz XNQVEIABMWPJEN-ZWKOTPCHSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967987 794321376 /nfs/dbraw/zinc/32/13/76/794321376.db2.gz RXACKXIIOYDZOL-KRWDZBQOSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111779147 794478318 /nfs/dbraw/zinc/47/83/18/794478318.db2.gz WUEINMFFEMEWGF-YJBOKZPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC)CC1 ZINC001176738738 794484395 /nfs/dbraw/zinc/48/43/95/794484395.db2.gz SLCZMJLUMQNDTE-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176759275 794499485 /nfs/dbraw/zinc/49/94/85/794499485.db2.gz HTYZVNNODLKFOX-ZWKOTPCHSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890231 794524262 /nfs/dbraw/zinc/52/42/62/794524262.db2.gz NOXXXSDIFVOROY-UHFFFAOYSA-N 2 0 303.450 2.424 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2C)C1 ZINC001111984796 794540988 /nfs/dbraw/zinc/54/09/88/794540988.db2.gz PCNWRJXSFYWSEF-WMZOPIPTSA-N 2 0 316.449 2.128 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]cn1)C2 ZINC001112386801 794618393 /nfs/dbraw/zinc/61/83/93/794618393.db2.gz NVOLAWLMLPFQEW-YJBOKZPZSA-N 2 0 316.449 2.137 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115305597 794729386 /nfs/dbraw/zinc/72/93/86/794729386.db2.gz ADEYVRKGTSQIOH-VSZNYVQBSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536628 794813893 /nfs/dbraw/zinc/81/38/93/794813893.db2.gz AIPVHGOJKGCJOD-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729932 794899608 /nfs/dbraw/zinc/89/96/08/794899608.db2.gz YJVTWGSWSFBBHG-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCCCC1 ZINC001115776361 794916623 /nfs/dbraw/zinc/91/66/23/794916623.db2.gz NOPLTCVQMLRFJH-KRWDZBQOSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179134738 795066862 /nfs/dbraw/zinc/06/68/62/795066862.db2.gz SQJGUNKCFWUDBS-UHFFFAOYSA-N 2 0 321.509 2.398 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179337496 795102318 /nfs/dbraw/zinc/10/23/18/795102318.db2.gz OYLDDKQFUQHGTH-QZWWFDLISA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788175 795176266 /nfs/dbraw/zinc/17/62/66/795176266.db2.gz PPCISGKUKLKWIP-SJORKVTESA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180121109 795244517 /nfs/dbraw/zinc/24/45/17/795244517.db2.gz IIUGTWXHFDABMH-UHFFFAOYSA-N 2 0 303.878 2.347 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440902 795461315 /nfs/dbraw/zinc/46/13/15/795461315.db2.gz UXJMUOQBGQOBES-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121295154 795612660 /nfs/dbraw/zinc/61/26/60/795612660.db2.gz SHEUIOFVKSXRPS-RFSHTEQGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001122197129 795734861 /nfs/dbraw/zinc/73/48/61/795734861.db2.gz DKYIRLJDOZPYGC-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183509472 795883352 /nfs/dbraw/zinc/88/33/52/795883352.db2.gz HZWVEKRSOXFSGK-SJLPKXTDSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940497 795957792 /nfs/dbraw/zinc/95/77/92/795957792.db2.gz YCVKKTDOBTUJMY-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184821945 796133424 /nfs/dbraw/zinc/13/34/24/796133424.db2.gz NMPHQYMPCUQRHX-GJZGRUSLSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185053778 796171068 /nfs/dbraw/zinc/17/10/68/796171068.db2.gz VIXZOBFTRAWVCD-DLBZAZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185032255 796174527 /nfs/dbraw/zinc/17/45/27/796174527.db2.gz WALJAHJFKHENJV-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185090827 796179232 /nfs/dbraw/zinc/17/92/32/796179232.db2.gz NSWAFOWLHMCEKN-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185348483 796235766 /nfs/dbraw/zinc/23/57/66/796235766.db2.gz QAUBENFMIVLOPF-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185501614 796273791 /nfs/dbraw/zinc/27/37/91/796273791.db2.gz HSXJVENCUXJXSX-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001185729954 796309950 /nfs/dbraw/zinc/30/99/50/796309950.db2.gz KEECAICVKHDWLK-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185749540 796310020 /nfs/dbraw/zinc/31/00/20/796310020.db2.gz CJMWQCZGFVMIFT-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001141569219 796677264 /nfs/dbraw/zinc/67/72/64/796677264.db2.gz CMPQYOJMVILGCO-GOSISDBHSA-N 2 0 315.461 2.057 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189913684 796902591 /nfs/dbraw/zinc/90/25/91/796902591.db2.gz VSWZQRXSBNALHW-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190742185 797067512 /nfs/dbraw/zinc/06/75/12/797067512.db2.gz BNAZBMNSBNMIOF-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CCCCCCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001191097152 797135068 /nfs/dbraw/zinc/13/50/68/797135068.db2.gz GMMXMPTXBOCJFX-UHFFFAOYSA-N 2 0 300.491 2.092 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050324 797135197 /nfs/dbraw/zinc/13/51/97/797135197.db2.gz HBJDHAUHGZJUBU-KRWDZBQOSA-N 2 0 316.449 2.017 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019232 797305656 /nfs/dbraw/zinc/30/56/56/797305656.db2.gz VRSZPKOCFWELKD-JKSUJKDBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888256 797633657 /nfs/dbraw/zinc/63/36/57/797633657.db2.gz MBJNHHJCGPQZHO-CQSZACIVSA-N 2 0 307.438 2.358 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001810 797668009 /nfs/dbraw/zinc/66/80/09/797668009.db2.gz KVEICPVOYAHQOG-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c(C#C[Si](C)(C)C)c1 ZINC001157100081 798143814 /nfs/dbraw/zinc/14/38/14/798143814.db2.gz ZLQJOTDLKYNOLQ-UHFFFAOYSA-N 2 0 317.513 2.294 20 30 DEEDRP C#CCN1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197794157 798239196 /nfs/dbraw/zinc/23/91/96/798239196.db2.gz HMOHQLANWYVSMB-UHFFFAOYSA-N 2 0 307.482 2.056 20 30 DEEDRP C=CCCCCC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197823548 798249896 /nfs/dbraw/zinc/24/98/96/798249896.db2.gz BPFYKCFYLORDHW-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186122 798355954 /nfs/dbraw/zinc/35/59/54/798355954.db2.gz NXKCLAYWHJSVHT-QGZVFWFLSA-N 2 0 324.428 2.284 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466466 798692343 /nfs/dbraw/zinc/69/23/43/798692343.db2.gz DNHVOVIAYWGAPB-MSOLQXFVSA-N 2 0 317.477 2.328 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160682552 798721863 /nfs/dbraw/zinc/72/18/63/798721863.db2.gz DRIKEDLYUCNQNB-UHFFFAOYSA-N 2 0 322.412 2.110 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3ccc(C#N)c(C#N)c3)cc[nH+]2)CC1 ZINC001201667166 798781013 /nfs/dbraw/zinc/78/10/13/798781013.db2.gz MRKNMOOKXRPGLA-UHFFFAOYSA-N 2 0 318.384 2.320 20 30 DEEDRP Cc1ncc(C#N)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201654176 798785690 /nfs/dbraw/zinc/78/56/90/798785690.db2.gz ILMXILCECQDEPN-UHFFFAOYSA-N 2 0 308.389 2.152 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793498 798798464 /nfs/dbraw/zinc/79/84/64/798798464.db2.gz DVCKKBHNVRRQCJ-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201818537 798801058 /nfs/dbraw/zinc/80/10/58/798801058.db2.gz OWRFOWJVRSXUJE-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161758950 798931469 /nfs/dbraw/zinc/93/14/69/798931469.db2.gz VKVCKRLBXFZSCX-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266814 798981770 /nfs/dbraw/zinc/98/17/70/798981770.db2.gz ULZBPULUKGJXOI-UHFFFAOYSA-N 2 0 307.438 2.407 20 30 DEEDRP 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 799596371 /nfs/dbraw/zinc/59/63/71/799596371.db2.gz XFUPRCGNWXWRAC-MTSZKFMLSA-N 2 0 305.466 2.014 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926837 799796657 /nfs/dbraw/zinc/79/66/57/799796657.db2.gz GNNMHXPMFJPQOI-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP 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 799833288 /nfs/dbraw/zinc/83/32/88/799833288.db2.gz JWJOHVJKMSUALP-NCOADZHNSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166843092 799961902 /nfs/dbraw/zinc/96/19/02/799961902.db2.gz PZBNTJYWJYGIRD-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772407 800120468 /nfs/dbraw/zinc/12/04/68/800120468.db2.gz SHOUPXXSGTYIJF-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205284499 800336577 /nfs/dbraw/zinc/33/65/77/800336577.db2.gz MTPSQUIXGTUQOF-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518608 800366264 /nfs/dbraw/zinc/36/62/64/800366264.db2.gz DKOFYPYNMMZVSH-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2cc(C#N)ccc21 ZINC001206200082 800488672 /nfs/dbraw/zinc/48/86/72/800488672.db2.gz QBDTXQJSGCETRA-JKSUJKDBSA-N 2 0 300.381 2.311 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206275714 800501443 /nfs/dbraw/zinc/50/14/43/800501443.db2.gz ZHAGYSRDRJIOPB-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206488682 800542242 /nfs/dbraw/zinc/54/22/42/800542242.db2.gz WZZIBJSEHXIHIO-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206871412 800611347 /nfs/dbraw/zinc/61/13/47/800611347.db2.gz KRWUOJGBGWWBEX-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261992 800943857 /nfs/dbraw/zinc/94/38/57/800943857.db2.gz WMSOUUYMROJIFQ-CVEARBPZSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717363 801310273 /nfs/dbraw/zinc/31/02/73/801310273.db2.gz RJDQSFCUBYFOLO-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001230359952 801392835 /nfs/dbraw/zinc/39/28/35/801392835.db2.gz MHWBRMOMPRYBMB-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428040 801400417 /nfs/dbraw/zinc/40/04/17/801400417.db2.gz LOLXUWPNLPCETD-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374997 801556484 /nfs/dbraw/zinc/55/64/84/801556484.db2.gz VKGSMKRUYVYXMB-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231216660 801608818 /nfs/dbraw/zinc/60/88/18/801608818.db2.gz MOXMPGFQEWIFNG-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948216 801781775 /nfs/dbraw/zinc/78/17/75/801781775.db2.gz KYQJZIBFLQHAFW-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])C2CCCCC2)sc2c1CC[NH2+]C2 ZINC001218555320 802204993 /nfs/dbraw/zinc/20/49/93/802204993.db2.gz ZXYRKDFPTPQNAI-AWEZNQCLSA-N 2 0 318.446 2.112 20 30 DEEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2cccc3c2C[NH2+]C3)cc1 ZINC001218993914 802272224 /nfs/dbraw/zinc/27/22/24/802272224.db2.gz YDQZAQSPIFPOSO-MRXNPFEDSA-N 2 0 306.369 2.190 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642793 802439544 /nfs/dbraw/zinc/43/95/44/802439544.db2.gz KWWOPERXFYTIKG-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c1ccccc1 ZINC001221360831 802559496 /nfs/dbraw/zinc/55/94/96/802559496.db2.gz MYXKKHFBFKHOSG-DLBZAZTESA-N 2 0 303.450 2.479 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620808 802598789 /nfs/dbraw/zinc/59/87/89/802598789.db2.gz ZJCBEDDVKSAIDE-LZLYRXPVSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221627708 802599016 /nfs/dbraw/zinc/59/90/16/802599016.db2.gz SQPWHWJHSSSLTO-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222053426 802635665 /nfs/dbraw/zinc/63/56/65/802635665.db2.gz PSPWAJFASHJFHD-BRWVUGGUSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223838822 802818973 /nfs/dbraw/zinc/81/89/73/802818973.db2.gz LDOXUQJBCJEZSH-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001224883724 802914347 /nfs/dbraw/zinc/91/43/47/802914347.db2.gz GOYSQKIPYXDBDL-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227750656 803275215 /nfs/dbraw/zinc/27/52/15/803275215.db2.gz MJVQMPPIZIDOQR-IAGOWNOFSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228266306 803336762 /nfs/dbraw/zinc/33/67/62/803336762.db2.gz RLYSKPQOLKPXBS-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001228924848 803430863 /nfs/dbraw/zinc/43/08/63/803430863.db2.gz KEIWNYYPNBVKBC-RCCFBDPRSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331318425 1149419084 /nfs/dbraw/zinc/41/90/84/1149419084.db2.gz KZEOYSKEMLNICV-XIRDDKMYSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001328684536 1148824029 /nfs/dbraw/zinc/82/40/29/1148824029.db2.gz ZNNRXIIGMYJIBA-KZNAEPCWSA-N 2 0 313.445 2.029 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001500405415 1058756912 /nfs/dbraw/zinc/75/69/12/1058756912.db2.gz WKXIVJAEDMCNCF-GOSISDBHSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001500495403 1058853692 /nfs/dbraw/zinc/85/36/92/1058853692.db2.gz DKUMMLQNWNMXON-PKOBYXMFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500547104 1058915100 /nfs/dbraw/zinc/91/51/00/1058915100.db2.gz ODKHAIVPFBGWPM-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001501172213 1059348113 /nfs/dbraw/zinc/34/81/13/1059348113.db2.gz RSGCBJBBFDJHQE-ZJPYXAASSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501637231 1059593353 /nfs/dbraw/zinc/59/33/53/1059593353.db2.gz FETWOJDGHUJLBZ-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001503024115 1060425344 /nfs/dbraw/zinc/42/53/44/1060425344.db2.gz SUCYLLXAKUZWIU-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001505447766 1060612184 /nfs/dbraw/zinc/61/21/84/1060612184.db2.gz COFDLZBLBFHBQN-CVEARBPZSA-N 2 0 304.438 2.333 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001505473848 1060643672 /nfs/dbraw/zinc/64/36/72/1060643672.db2.gz ZCTIIOKUJIDGSX-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001479691316 1061603498 /nfs/dbraw/zinc/60/34/98/1061603498.db2.gz AMLYLZSUUHXYCR-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001479693739 1061608634 /nfs/dbraw/zinc/60/86/34/1061608634.db2.gz DFSDYQQZBNKSIR-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506504479 1062057135 /nfs/dbraw/zinc/05/71/35/1062057135.db2.gz HCRSJZZYOFIEKO-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479981323 1062143851 /nfs/dbraw/zinc/14/38/51/1062143851.db2.gz OJXNPXDFMIURAU-BRWVUGGUSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001506581661 1062157470 /nfs/dbraw/zinc/15/74/70/1062157470.db2.gz YDZFHULJQFEFJU-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001480143676 1062383564 /nfs/dbraw/zinc/38/35/64/1062383564.db2.gz IJZTWRONWMDSMF-QBPKDAKJSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480209265 1062467188 /nfs/dbraw/zinc/46/71/88/1062467188.db2.gz HLYZRXNSMMRWBZ-IYBDPMFKSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001506885419 1062471067 /nfs/dbraw/zinc/47/10/67/1062471067.db2.gz PJUICBREGKVWPU-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001480359150 1062712164 /nfs/dbraw/zinc/71/21/64/1062712164.db2.gz OFHHYGLRDBOFLZ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480381523 1062761440 /nfs/dbraw/zinc/76/14/40/1062761440.db2.gz CTPPQZKNBMKCAO-DLBZAZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001507386508 1063207898 /nfs/dbraw/zinc/20/78/98/1063207898.db2.gz LZSIESDYPVKJER-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001507961242 1063478884 /nfs/dbraw/zinc/47/88/84/1063478884.db2.gz IJHASMIEKYTSGO-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001508120333 1063565342 /nfs/dbraw/zinc/56/53/42/1063565342.db2.gz IMHSJTHDCLOEEJ-UHFFFAOYSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001567496520 1064224489 /nfs/dbraw/zinc/22/44/89/1064224489.db2.gz NYNRVBWFOLILSE-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001567626713 1064289403 /nfs/dbraw/zinc/28/94/03/1064289403.db2.gz FXHBMCZOTCKBIQ-RDJZCZTQSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567701243 1064358743 /nfs/dbraw/zinc/35/87/43/1064358743.db2.gz FOIGUHIBRHGCIJ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001567701331 1064359378 /nfs/dbraw/zinc/35/93/78/1064359378.db2.gz HFQIMTGOIMAABW-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CCc2cncn2C)CC1 ZINC001567752068 1064403266 /nfs/dbraw/zinc/40/32/66/1064403266.db2.gz DBXHECLFKZRWDN-UHFFFAOYSA-N 2 0 318.465 2.099 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567775243 1064414639 /nfs/dbraw/zinc/41/46/39/1064414639.db2.gz YPTLTVOXNCWYGX-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001494739148 1064444294 /nfs/dbraw/zinc/44/42/94/1064444294.db2.gz BVIYTISIAYJUMI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914758 1064512713 /nfs/dbraw/zinc/51/27/13/1064512713.db2.gz GSCQAAWNTSNDPM-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001494854205 1064515981 /nfs/dbraw/zinc/51/59/81/1064515981.db2.gz WQYPQADPPQMHLI-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568274389 1064746660 /nfs/dbraw/zinc/74/66/60/1064746660.db2.gz UYJUPEMYWOGXHJ-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001568357837 1064801849 /nfs/dbraw/zinc/80/18/49/1064801849.db2.gz MKRRVLMMTINCJE-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001568357839 1064802382 /nfs/dbraw/zinc/80/23/82/1064802382.db2.gz MKRRVLMMTINCJE-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001568387338 1064829223 /nfs/dbraw/zinc/82/92/23/1064829223.db2.gz UWKLSYDPYMMUHM-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001569169407 1065336517 /nfs/dbraw/zinc/33/65/17/1065336517.db2.gz MTPXMNJZDZEVNO-ROUUACIJSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496297126 1065391116 /nfs/dbraw/zinc/39/11/16/1065391116.db2.gz SIBPNVVISXOYQZ-ZWKOTPCHSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001569801836 1065726550 /nfs/dbraw/zinc/72/65/50/1065726550.db2.gz IXDIFSJSXXJSHQ-ZWKOTPCHSA-N 2 0 315.461 2.276 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001570048418 1065901280 /nfs/dbraw/zinc/90/12/80/1065901280.db2.gz ITBVZQRZYUAOTF-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001570274526 1066000777 /nfs/dbraw/zinc/00/07/77/1066000777.db2.gz FPGWMDQVXYHPNH-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001570275361 1066001426 /nfs/dbraw/zinc/00/14/26/1066001426.db2.gz VENORMLFIHNQQM-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339647 1079549465 /nfs/dbraw/zinc/54/94/65/1079549465.db2.gz YXEQGVCJCSSUFM-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001499530011 1067248354 /nfs/dbraw/zinc/24/83/54/1067248354.db2.gz CCFWNCKWDZUJOU-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483438905 1078533797 /nfs/dbraw/zinc/53/37/97/1078533797.db2.gz VXWNAQBHSNZIOG-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483438906 1078533966 /nfs/dbraw/zinc/53/39/66/1078533966.db2.gz VXWNAQBHSNZIOG-IAGOWNOFSA-N 2 0 319.493 2.313 20 30 DEEDRP N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001580078346 1067492069 /nfs/dbraw/zinc/49/20/69/1067492069.db2.gz VJPCAGFEAAPDDZ-YDHLFZDLSA-N 2 0 300.362 2.026 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483466792 1078552260 /nfs/dbraw/zinc/55/22/60/1078552260.db2.gz PRDHCUQPYRZPDW-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001267144574 1078611326 /nfs/dbraw/zinc/61/13/26/1078611326.db2.gz AZFFBFQAXZOVEC-NXHRZFHOSA-N 2 0 315.461 2.002 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001570582557 1068019374 /nfs/dbraw/zinc/01/93/74/1068019374.db2.gz NQQZFYWPFNBBCA-UHFFFAOYSA-N 2 0 315.461 2.422 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001570667249 1068061439 /nfs/dbraw/zinc/06/14/39/1068061439.db2.gz AJASXGAQIDYLSD-DAWZGUTISA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267181789 1078645858 /nfs/dbraw/zinc/64/58/58/1078645858.db2.gz NNMOHPZXNCBGQK-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001329243594 1148877318 /nfs/dbraw/zinc/87/73/18/1148877318.db2.gz NAXGMCZQRBZWCR-OFLPRAFFSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267282208 1078728685 /nfs/dbraw/zinc/72/86/85/1078728685.db2.gz BUBGFRDZTIATCP-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267293141 1078739515 /nfs/dbraw/zinc/73/95/15/1078739515.db2.gz MNMHDLRKPWFTAK-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001574872059 1069283014 /nfs/dbraw/zinc/28/30/14/1069283014.db2.gz CRFQYACPKIEGKT-JZXOWHBKSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[C@]1(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CCC[NH2+]1 ZINC001574888471 1069286523 /nfs/dbraw/zinc/28/65/23/1069286523.db2.gz FPIKFVWSSZSPTD-GOSISDBHSA-N 2 0 319.449 2.258 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267562990 1078996128 /nfs/dbraw/zinc/99/61/28/1078996128.db2.gz PODVRHMACMQZRY-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484122044 1079312647 /nfs/dbraw/zinc/31/26/47/1079312647.db2.gz OSXIDLOQXYOBHZ-FUHWJXTLSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH+]1CCC(C)(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001484147725 1079324436 /nfs/dbraw/zinc/32/44/36/1079324436.db2.gz XCAIBQHCRJSJED-CALCHBBNSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001565856278 1075198621 /nfs/dbraw/zinc/19/86/21/1075198621.db2.gz HGFFAAPFYCYEIC-FGTMMUONSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566668882 1075311077 /nfs/dbraw/zinc/31/10/77/1075311077.db2.gz DONULDRSMZJNJJ-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001566862492 1075365723 /nfs/dbraw/zinc/36/57/23/1075365723.db2.gz CKRRQQLDRIFBFF-HDICACEKSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001566987121 1075409186 /nfs/dbraw/zinc/40/91/86/1075409186.db2.gz LMJZOWKMHRFJAZ-AOCRQIFASA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001496349274 1079458461 /nfs/dbraw/zinc/45/84/61/1079458461.db2.gz CMLKSIXXKWDHLJ-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001279112004 1079508593 /nfs/dbraw/zinc/50/85/93/1079508593.db2.gz SWVFYRXKEMPDJQ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484346470 1079547613 /nfs/dbraw/zinc/54/76/13/1079547613.db2.gz ZETUELGSVRCEND-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001484401092 1079591769 /nfs/dbraw/zinc/59/17/69/1079591769.db2.gz FXQCDNQSEBJPPX-GOSISDBHSA-N 2 0 315.461 2.133 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484544706 1079653034 /nfs/dbraw/zinc/65/30/34/1079653034.db2.gz ZWEXFENWPMKMIL-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001484552255 1079656220 /nfs/dbraw/zinc/65/62/20/1079656220.db2.gz YLZZAWOMPKNYOH-INIZCTEOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001484582632 1079670705 /nfs/dbraw/zinc/67/07/05/1079670705.db2.gz VVABTCMNAGHWTE-UHFFFAOYSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CC[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001484765207 1079776266 /nfs/dbraw/zinc/77/62/66/1079776266.db2.gz YNELYVILCIUZAZ-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001484772235 1079787992 /nfs/dbraw/zinc/78/79/92/1079787992.db2.gz ORIKTOSKFUTHHR-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484905181 1079853095 /nfs/dbraw/zinc/85/30/95/1079853095.db2.gz FGKQUCUTSUFNRX-IRXDYDNUSA-N 2 0 309.498 2.489 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(CC)CC)CC1 ZINC001485229284 1080077277 /nfs/dbraw/zinc/07/72/77/1080077277.db2.gz IORJEZBQNOQETP-HOTGVXAUSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001656899964 1080136264 /nfs/dbraw/zinc/13/62/64/1080136264.db2.gz WSNZWPNRWMUSAG-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001279288717 1080190770 /nfs/dbraw/zinc/19/07/70/1080190770.db2.gz LYSWOWMCDGRIKE-KZNAEPCWSA-N 2 0 321.509 2.417 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001485458668 1080227650 /nfs/dbraw/zinc/22/76/50/1080227650.db2.gz DFGSGIPYIBRQFP-IAGOWNOFSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001660475717 1080337719 /nfs/dbraw/zinc/33/77/19/1080337719.db2.gz PLPKXZNBTMCIBT-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001485731077 1080405656 /nfs/dbraw/zinc/40/56/56/1080405656.db2.gz PIHGFBAFIUKBOL-CQSZACIVSA-N 2 0 312.417 2.154 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481774274 1080489742 /nfs/dbraw/zinc/48/97/42/1080489742.db2.gz BCTKSKHSQHRKRZ-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001481938843 1080629760 /nfs/dbraw/zinc/62/97/60/1080629760.db2.gz KFSGKYWDBCBVHQ-SFHVURJKSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662675006 1080632607 /nfs/dbraw/zinc/63/26/07/1080632607.db2.gz DHIUMFGVWAUHHW-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001662796956 1080658086 /nfs/dbraw/zinc/65/80/86/1080658086.db2.gz JNVUGKWCKUIBEI-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001482022795 1080693585 /nfs/dbraw/zinc/69/35/85/1080693585.db2.gz NKHIHSMMRBLWNH-QAQDUYKDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001482068059 1080774839 /nfs/dbraw/zinc/77/48/39/1080774839.db2.gz AHDBJXCLMCNRNT-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001482070737 1080776863 /nfs/dbraw/zinc/77/68/63/1080776863.db2.gz KMHUXDGXDGCWCX-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001664858807 1080973516 /nfs/dbraw/zinc/97/35/16/1080973516.db2.gz LTKKEZBJCIXRGL-GOSISDBHSA-N 2 0 319.493 2.056 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268988054 1081076802 /nfs/dbraw/zinc/07/68/02/1081076802.db2.gz KPHGUZJJPCNAKO-IKGGRYGDSA-N 2 0 307.482 2.194 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001666383063 1081149108 /nfs/dbraw/zinc/14/91/08/1081149108.db2.gz UBEUUSKYKWEQFB-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001666425391 1081151721 /nfs/dbraw/zinc/15/17/21/1081151721.db2.gz ZRJHEGSFVYIVGK-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001269239985 1081179800 /nfs/dbraw/zinc/17/98/00/1081179800.db2.gz GFKPLMDCSMDPGX-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001666767473 1081180041 /nfs/dbraw/zinc/18/00/41/1081180041.db2.gz HFNRMSLKBJEVFJ-DLBZAZTESA-N 2 0 317.477 2.045 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001666767474 1081180204 /nfs/dbraw/zinc/18/02/04/1081180204.db2.gz HFNRMSLKBJEVFJ-IAGOWNOFSA-N 2 0 317.477 2.045 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001667771161 1081288627 /nfs/dbraw/zinc/28/86/27/1081288627.db2.gz PREIWXIOZDCQRD-SJORKVTESA-N 2 0 307.482 2.313 20 30 DEEDRP CC#CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001269644633 1081320613 /nfs/dbraw/zinc/32/06/13/1081320613.db2.gz HBJOAULRIAZHSC-IBGZPJMESA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269859057 1081384571 /nfs/dbraw/zinc/38/45/71/1081384571.db2.gz LBJMWTSBVUULGA-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001269867004 1081385622 /nfs/dbraw/zinc/38/56/22/1081385622.db2.gz OIMPJEQZIQWSPT-INIZCTEOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001269985232 1081417964 /nfs/dbraw/zinc/41/79/64/1081417964.db2.gz DXOQSZIHVSOJLV-BZSNNMDCSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001270050916 1081438648 /nfs/dbraw/zinc/43/86/48/1081438648.db2.gz RKBRWAUDYLLUGE-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001671414315 1081515929 /nfs/dbraw/zinc/51/59/29/1081515929.db2.gz CGAXMERUVFGUMO-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001671748527 1081536626 /nfs/dbraw/zinc/53/66/26/1081536626.db2.gz VTMQOKMEAOGMEL-WMZOPIPTSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001671916104 1081549760 /nfs/dbraw/zinc/54/97/60/1081549760.db2.gz FABNCHXPROIXDL-SFHVURJKSA-N 2 0 307.482 2.267 20 30 DEEDRP 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 1081586443 /nfs/dbraw/zinc/58/64/43/1081586443.db2.gz MTXLXGBSPRFDCD-HSFUPAIVSA-N 2 0 319.493 2.404 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001482406144 1081797220 /nfs/dbraw/zinc/79/72/20/1081797220.db2.gz NYSVQHQOPFFFIF-ZWKOTPCHSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001482405711 1081797573 /nfs/dbraw/zinc/79/75/73/1081797573.db2.gz GCMOUJCPMJKLPO-KBAYOESNSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001482420766 1081810281 /nfs/dbraw/zinc/81/02/81/1081810281.db2.gz FNMGALHLEGYHOG-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001270987008 1081867129 /nfs/dbraw/zinc/86/71/29/1081867129.db2.gz NMQINGLAGWZMFT-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001674480267 1081879166 /nfs/dbraw/zinc/87/91/66/1081879166.db2.gz FOWCPLBPMGAHQN-IAGOWNOFSA-N 2 0 307.482 2.053 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001482455290 1081902272 /nfs/dbraw/zinc/90/22/72/1081902272.db2.gz WNFGOJSOCCQWAO-INIZCTEOSA-N 2 0 324.428 2.332 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001271287146 1082005410 /nfs/dbraw/zinc/00/54/10/1082005410.db2.gz ZAZPXNNXOSUMDO-ROUUACIJSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266373432 1082005970 /nfs/dbraw/zinc/00/59/70/1082005970.db2.gz DACMZELXZFPGRG-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001271491430 1082062511 /nfs/dbraw/zinc/06/25/11/1082062511.db2.gz RCEBBOHIHJUJAZ-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001482506532 1082128503 /nfs/dbraw/zinc/12/85/03/1082128503.db2.gz CDJOPOOMVAMQSA-SFHVURJKSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001670555686 1082179514 /nfs/dbraw/zinc/17/95/14/1082179514.db2.gz CEFPHIDQVVCVHH-DLBZAZTESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266768036 1082331685 /nfs/dbraw/zinc/33/16/85/1082331685.db2.gz WRGJPWHWNYGOAX-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266893559 1082435852 /nfs/dbraw/zinc/43/58/52/1082435852.db2.gz CMJAZVSCHWTKEQ-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482685326 1082481029 /nfs/dbraw/zinc/48/10/29/1082481029.db2.gz OILVGCAVZYQRGL-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483051711 1082663719 /nfs/dbraw/zinc/66/37/19/1082663719.db2.gz XCLUFWLZGALBLQ-ZEVQVBBLSA-N 2 0 317.477 2.069 20 30 DEEDRP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]21 ZINC001496862294 1083053735 /nfs/dbraw/zinc/05/37/35/1083053735.db2.gz IWPVJWOHCWAXQI-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001276601433 1083510173 /nfs/dbraw/zinc/51/01/73/1083510173.db2.gz OBTANKGDLMHFSE-HNNXBMFYSA-N 2 0 304.438 2.066 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001276609176 1083512668 /nfs/dbraw/zinc/51/26/68/1083512668.db2.gz VKNBSGAZSQXLJS-HNNXBMFYSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276632322 1083525024 /nfs/dbraw/zinc/52/50/24/1083525024.db2.gz DGRQQECAMYCAEA-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001276741242 1083582127 /nfs/dbraw/zinc/58/21/27/1083582127.db2.gz RUROXKFZKJRTRV-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001276839508 1083640755 /nfs/dbraw/zinc/64/07/55/1083640755.db2.gz JPUQZFVSWHEPKU-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001276906851 1083672690 /nfs/dbraw/zinc/67/26/90/1083672690.db2.gz YYVVTEZLCQXNMQ-HDICACEKSA-N 2 0 319.493 2.075 20 30 DEEDRP 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 1084028574 /nfs/dbraw/zinc/02/85/74/1084028574.db2.gz ADOBUFMHVXXOCL-HMDCTGQHSA-N 2 0 307.482 2.308 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491080817 1084054196 /nfs/dbraw/zinc/05/41/96/1084054196.db2.gz STDCONGCUMZWHB-ZACQAIPSSA-N 2 0 307.482 2.454 20 30 DEEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CC(F)F)CC3)cc1C#N ZINC001277645573 1084073620 /nfs/dbraw/zinc/07/36/20/1084073620.db2.gz RWZUNMZOGGWKMS-UHFFFAOYSA-N 2 0 322.403 2.450 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001491132936 1084103691 /nfs/dbraw/zinc/10/36/91/1084103691.db2.gz HUPKTDXZVVGWPX-GOSISDBHSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC(C)(C)C[NH+](C)C)CC2 ZINC001272870581 1084400989 /nfs/dbraw/zinc/40/09/89/1084400989.db2.gz QVWKJODMTNICHZ-INIZCTEOSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001078682810 1084796287 /nfs/dbraw/zinc/79/62/87/1084796287.db2.gz IKOFENXPQCOFNY-HZPDHXFCSA-N 2 0 310.401 2.151 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001485933765 1085004026 /nfs/dbraw/zinc/00/40/26/1085004026.db2.gz DWQHBWCGYURHOY-HNNXBMFYSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001486166795 1085101686 /nfs/dbraw/zinc/10/16/86/1085101686.db2.gz NLQCKFTUVRDLJJ-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C ZINC001486414067 1085284954 /nfs/dbraw/zinc/28/49/54/1085284954.db2.gz UZRQNTDAESZWPA-DZGCQCFKSA-N 2 0 306.454 2.427 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCn3cncc3C2)CCC1 ZINC001273106044 1086203673 /nfs/dbraw/zinc/20/36/73/1086203673.db2.gz HDOXBNLNCYCWPY-HNNXBMFYSA-N 2 0 316.449 2.040 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315769 1086404980 /nfs/dbraw/zinc/40/49/80/1086404980.db2.gz YMKRXIRCSFUKBP-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001273146365 1086998674 /nfs/dbraw/zinc/99/86/74/1086998674.db2.gz KUGDTESPJXZSNN-UHFFFAOYSA-N 2 0 317.477 2.258 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957516766 1088369652 /nfs/dbraw/zinc/36/96/52/1088369652.db2.gz BOJZPADNAJCVHK-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080135301 1088644505 /nfs/dbraw/zinc/64/45/05/1088644505.db2.gz ZSZLNLKKCWHKHG-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001114832039 1088919536 /nfs/dbraw/zinc/91/95/36/1088919536.db2.gz KNXVXFPECLSOJU-VXNCWWDNSA-N 2 0 319.493 2.264 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114835710 1088962532 /nfs/dbraw/zinc/96/25/32/1088962532.db2.gz OUQXCKZKJITSLK-IMBTUZDBSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406450 1090291248 /nfs/dbraw/zinc/29/12/48/1090291248.db2.gz PIXKCIBXFNGEHR-BPQIPLTHSA-N 2 0 317.477 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403010 1090291547 /nfs/dbraw/zinc/29/15/47/1090291547.db2.gz BIJIZEKIHNXVLV-KZNAEPCWSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084475327 1090309317 /nfs/dbraw/zinc/30/93/17/1090309317.db2.gz IXTSLZDBDZNZAO-KZNAEPCWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944956 1090531746 /nfs/dbraw/zinc/53/17/46/1090531746.db2.gz YUOXPMDZXXOPBJ-XDNAFOTISA-N 2 0 319.493 2.216 20 30 DEEDRP C[C@H]1C[C@H]1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276032893 1091131480 /nfs/dbraw/zinc/13/14/80/1091131480.db2.gz QGZCUMNQPWRBCW-RDJZCZTQSA-N 2 0 312.461 2.451 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001274339796 1091196929 /nfs/dbraw/zinc/19/69/29/1091196929.db2.gz NSEKHRXIRYLHDQ-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001276123844 1091566790 /nfs/dbraw/zinc/56/67/90/1091566790.db2.gz YTIGULLYDPOTHR-MSOLQXFVSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001275491832 1091802207 /nfs/dbraw/zinc/80/22/07/1091802207.db2.gz JYBSBMYLSUOKIE-LSDHHAIUSA-N 2 0 303.450 2.073 20 30 DEEDRP CSc1nc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1C#N ZINC001275499746 1091807343 /nfs/dbraw/zinc/80/73/43/1091807343.db2.gz MBMNFYMVCCWISY-GASCZTMLSA-N 2 0 316.474 2.449 20 30 DEEDRP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001275725202 1092045190 /nfs/dbraw/zinc/04/51/90/1092045190.db2.gz IOWIIJSPFIISDC-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001006441860 1092119437 /nfs/dbraw/zinc/11/94/37/1092119437.db2.gz GEFQAPFNEMDLML-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006443821 1092169742 /nfs/dbraw/zinc/16/97/42/1092169742.db2.gz ONSZBEHBXHERKZ-IYBDPMFKSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001489284141 1093003122 /nfs/dbraw/zinc/00/31/22/1093003122.db2.gz RUSPSYGISVJJFO-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001495320236 1093158793 /nfs/dbraw/zinc/15/87/93/1093158793.db2.gz JOSUHCSDIJESOL-QFBILLFUSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493163222 1093277689 /nfs/dbraw/zinc/27/76/89/1093277689.db2.gz UDRXZVDKGINXNZ-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001490331875 1093318615 /nfs/dbraw/zinc/31/86/15/1093318615.db2.gz YQSORVJPDXFQSE-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001490443295 1093360789 /nfs/dbraw/zinc/36/07/89/1093360789.db2.gz YPANJADPWKNASK-INIZCTEOSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001490804969 1093611919 /nfs/dbraw/zinc/61/19/19/1093611919.db2.gz FMDJIQIWSMUUPX-ZACQAIPSSA-N 2 0 307.482 2.357 20 30 DEEDRP C=CCCCCCC[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001253227944 1093699833 /nfs/dbraw/zinc/69/98/33/1093699833.db2.gz OBJOSKZMKGZTTK-SFHVURJKSA-N 2 0 311.514 2.101 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC001691732243 1138216080 /nfs/dbraw/zinc/21/60/80/1138216080.db2.gz AZPWBUJURDPFKL-SFHVURJKSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236797091 1138430911 /nfs/dbraw/zinc/43/09/11/1138430911.db2.gz CFOBDOBRAAINEY-OAHLLOKOSA-N 2 0 313.367 2.427 20 30 DEEDRP C#C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933988 1138460491 /nfs/dbraw/zinc/46/04/91/1138460491.db2.gz BKBADKZCIPMDNN-INIZCTEOSA-N 2 0 315.436 2.423 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001278253606 1138859457 /nfs/dbraw/zinc/85/94/57/1138859457.db2.gz XFBZFUJFOPBNCM-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001318782882 1140415774 /nfs/dbraw/zinc/41/57/74/1140415774.db2.gz ZHNXSWIJHZSIKA-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001318804827 1140424520 /nfs/dbraw/zinc/42/45/20/1140424520.db2.gz KVWRQEYQTLGHHB-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001318953719 1140476951 /nfs/dbraw/zinc/47/69/51/1140476951.db2.gz SVXNGRZCAVGZCP-QAQDUYKDSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001319501851 1140603166 /nfs/dbraw/zinc/60/31/66/1140603166.db2.gz KHWUOBCIGKSUFH-OAHLLOKOSA-N 2 0 303.450 2.027 20 30 DEEDRP C=CCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245981424 1140841059 /nfs/dbraw/zinc/84/10/59/1140841059.db2.gz BFEKOLIDXPPJLU-MSOLQXFVSA-N 2 0 323.525 2.338 20 30 DEEDRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN[C@H](C#N)C1)CC21CC[NH2+]CC1 ZINC001246126662 1140863928 /nfs/dbraw/zinc/86/39/28/1140863928.db2.gz IPEKLUPETQBVPC-BXWFABGCSA-N 2 0 324.472 2.295 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246304748 1140882933 /nfs/dbraw/zinc/88/29/33/1140882933.db2.gz LHMHOVMMKUFLPO-HNNXBMFYSA-N 2 0 315.417 2.101 20 30 DEEDRP N#CCC[N@H+]([C@H]1CCNC2(C[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770713 1141054683 /nfs/dbraw/zinc/05/46/83/1141054683.db2.gz ROLNETHVGHYFDQ-KRWDZBQOSA-N 2 0 304.482 2.409 20 30 DEEDRP CCCCCCC[C@H](CC)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246822675 1141075505 /nfs/dbraw/zinc/07/55/05/1141075505.db2.gz SGMMLOVFSGNCAT-SFHVURJKSA-N 2 0 312.546 2.210 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321278275 1141118286 /nfs/dbraw/zinc/11/82/86/1141118286.db2.gz DGQOWKNYVQVWIU-LXXRFIIISA-N 2 0 307.482 2.479 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001323287748 1141837493 /nfs/dbraw/zinc/83/74/93/1141837493.db2.gz UHIDDWFEUBTWHA-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858127 1141893728 /nfs/dbraw/zinc/89/37/28/1141893728.db2.gz ANESEHDJCVCSLH-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001324284988 1142048355 /nfs/dbraw/zinc/04/83/55/1142048355.db2.gz CMHODYNUQWLZBP-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001278639865 1142567921 /nfs/dbraw/zinc/56/79/21/1142567921.db2.gz MYTYNQWBVQXOLB-HOTGVXAUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001278662478 1142693655 /nfs/dbraw/zinc/69/36/55/1142693655.db2.gz CGZYRANESALAND-NVXWUHKLSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCC[C@H](O)C[NH+]1CCN(CC[NH+](CCC)CCC)CC1 ZINC001252602784 1142784908 /nfs/dbraw/zinc/78/49/08/1142784908.db2.gz GPUHJURRHGSXOF-SFHVURJKSA-N 2 0 311.514 2.053 20 30 DEEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001252620282 1142793567 /nfs/dbraw/zinc/79/35/67/1142793567.db2.gz SULNJHAPEURMNL-SFHVURJKSA-N 2 0 303.450 2.210 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)CCCCC)CC1 ZINC001253542989 1142879449 /nfs/dbraw/zinc/87/94/49/1142879449.db2.gz VYNZXBZHCBURJE-IBGZPJMESA-N 2 0 323.525 2.219 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001341716558 1143680624 /nfs/dbraw/zinc/68/06/24/1143680624.db2.gz HXSKQSXGVZABJC-QZTJIDSGSA-N 2 0 315.461 2.403 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001342082148 1143784374 /nfs/dbraw/zinc/78/43/74/1143784374.db2.gz UEYXNEBDCPIPSC-QGZVFWFLSA-N 2 0 315.461 2.189 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC001342741013 1143834031 /nfs/dbraw/zinc/83/40/31/1143834031.db2.gz OXMPVDZTASTDCQ-APWZRJJASA-N 2 0 319.493 2.313 20 30 DEEDRP C[NH+]1CCC(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256200337 1143834536 /nfs/dbraw/zinc/83/45/36/1143834536.db2.gz RHQDRDARNMILPS-UHFFFAOYSA-N 2 0 312.461 2.229 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC001263130053 1144357581 /nfs/dbraw/zinc/35/75/81/1144357581.db2.gz JCCOGKSYBJUGAJ-IKGGRYGDSA-N 2 0 319.424 2.153 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001263876644 1144418738 /nfs/dbraw/zinc/41/87/38/1144418738.db2.gz LNKUVSGCRQBEAX-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001264421390 1144535339 /nfs/dbraw/zinc/53/53/39/1144535339.db2.gz GJOSAMQIICSUFM-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001264751262 1144606038 /nfs/dbraw/zinc/60/60/38/1144606038.db2.gz DPAWKEOQPJWEMO-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265490913 1144706850 /nfs/dbraw/zinc/70/68/50/1144706850.db2.gz MXUBXXZKZPEQID-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265595263 1144716547 /nfs/dbraw/zinc/71/65/47/1144716547.db2.gz VQHKKQBZKVNUFG-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001265982159 1144776473 /nfs/dbraw/zinc/77/64/73/1144776473.db2.gz CTTRHVXPQGNUNM-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266072536 1144802798 /nfs/dbraw/zinc/80/27/98/1144802798.db2.gz WUAFHIVPQLMEPT-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001279231084 1144819589 /nfs/dbraw/zinc/81/95/89/1144819589.db2.gz YGVZYJLFWGAWHN-BJWYYQGGSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001279587490 1144825335 /nfs/dbraw/zinc/82/53/35/1144825335.db2.gz MWPFWCQCCZUQOQ-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001280315951 1144835620 /nfs/dbraw/zinc/83/56/20/1144835620.db2.gz USFPDOBREPFZJS-SFHVURJKSA-N 2 0 315.461 2.405 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001280452317 1144840376 /nfs/dbraw/zinc/84/03/76/1144840376.db2.gz XZFJWRCGXAFFQF-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001281531276 1144894998 /nfs/dbraw/zinc/89/49/98/1144894998.db2.gz YFXVTXNZTCPINN-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001281830669 1144915756 /nfs/dbraw/zinc/91/57/56/1144915756.db2.gz LDMYRZKVMYBKPA-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001282640282 1145106447 /nfs/dbraw/zinc/10/64/47/1145106447.db2.gz WCPYMXAIGWUREV-YESZJQIVSA-N 2 0 307.482 2.005 20 30 DEEDRP CCCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001282693787 1145129407 /nfs/dbraw/zinc/12/94/07/1145129407.db2.gz RICGLEWQFVQNKJ-DOTOQJQBSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001283692701 1145589310 /nfs/dbraw/zinc/58/93/10/1145589310.db2.gz SFBQMYJXRCSLQI-HNNXBMFYSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001284104941 1145800115 /nfs/dbraw/zinc/80/01/15/1145800115.db2.gz ZXIRSEKEZLFZOL-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001284130214 1145804585 /nfs/dbraw/zinc/80/45/85/1145804585.db2.gz GUCRGMQPMLTMDS-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001284720071 1145894909 /nfs/dbraw/zinc/89/49/09/1145894909.db2.gz VFMDRQMILHOYSK-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492154681 1147102266 /nfs/dbraw/zinc/10/22/66/1147102266.db2.gz RJEKYEQLNQXQBK-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317379381 1147365340 /nfs/dbraw/zinc/36/53/40/1147365340.db2.gz NSVAABISDWNCHC-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001316951368 1147637912 /nfs/dbraw/zinc/63/79/12/1147637912.db2.gz JATDNHGVZQUEFS-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001317005537 1147647470 /nfs/dbraw/zinc/64/74/70/1147647470.db2.gz GMYGIOVDAQQYPX-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317179866 1147672086 /nfs/dbraw/zinc/67/20/86/1147672086.db2.gz YFOOGKJUACAACZ-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001317223182 1147679176 /nfs/dbraw/zinc/67/91/76/1147679176.db2.gz MTUZLMKXLGWXDF-UHFFFAOYSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317422630 1147704963 /nfs/dbraw/zinc/70/49/63/1147704963.db2.gz HTQISNKBYIOQIM-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317525984 1147720326 /nfs/dbraw/zinc/72/03/26/1147720326.db2.gz DGLRWDRPMXEPDZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001317723588 1147747289 /nfs/dbraw/zinc/74/72/89/1147747289.db2.gz HPODGSLLWMBWPJ-KRWDZBQOSA-N 2 0 315.461 2.045 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001318273202 1147806343 /nfs/dbraw/zinc/80/63/43/1147806343.db2.gz OTZPLDUPJQXGDS-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339089337 530071792 /nfs/dbraw/zinc/07/17/92/530071792.db2.gz RSAIEODOAODKEW-DLBZAZTESA-N 2 0 304.482 2.028 20 30 DEEDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC000181705370 199342070 /nfs/dbraw/zinc/34/20/70/199342070.db2.gz HWNNAPBGHTYDLN-MRXNPFEDSA-N 2 0 300.450 2.236 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173953118 198271687 /nfs/dbraw/zinc/27/16/87/198271687.db2.gz NYIYJZXMCUZZFF-SJORKVTESA-N 2 0 307.482 2.382 20 30 DEEDRP C[C@H]1CCN(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000579623900 357006282 /nfs/dbraw/zinc/00/62/82/357006282.db2.gz CMBVBWSZQLTUMX-INIZCTEOSA-N 2 0 312.461 2.458 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)C(C)C ZINC000581240300 357154081 /nfs/dbraw/zinc/15/40/81/357154081.db2.gz KWJMUAPIBXBCCY-SJORKVTESA-N 2 0 322.497 2.065 20 30 DEEDRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598721200 359305568 /nfs/dbraw/zinc/30/55/68/359305568.db2.gz UDABVWMAYLQJEQ-MRXNPFEDSA-N 2 0 319.449 2.017 20 30 DEEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C)c(C#N)c3)C2)CC1 ZINC000599294695 359453473 /nfs/dbraw/zinc/45/34/73/359453473.db2.gz GLHQIEITPPXZSM-LJQANCHMSA-N 2 0 312.461 2.079 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C#N)cc3)c2)CC1 ZINC000601070164 359911615 /nfs/dbraw/zinc/91/16/15/359911615.db2.gz ZDIXQUAMGUHKTE-UHFFFAOYSA-N 2 0 307.401 2.317 20 30 DEEDRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000602641901 360472777 /nfs/dbraw/zinc/47/27/77/360472777.db2.gz URCRYUNUBZMESR-SFHVURJKSA-N 2 0 313.445 2.370 20 30 DEEDRP C[N@H+]1CC=C(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271869030 209283025 /nfs/dbraw/zinc/28/30/25/209283025.db2.gz MCGHDTWIESVROQ-UHFFFAOYSA-N 2 0 324.472 2.374 20 30 DEEDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390234 361589066 /nfs/dbraw/zinc/58/90/66/361589066.db2.gz LIXFMGSROKXVFY-LJQANCHMSA-N 2 0 312.461 2.163 20 30 DEEDRP C=CCc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc(OC)c1O ZINC000271773355 209201684 /nfs/dbraw/zinc/20/16/84/209201684.db2.gz CAJZWFFKEVMMKA-UHFFFAOYSA-N 2 0 302.418 2.481 20 30 DEEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000120243687 195126635 /nfs/dbraw/zinc/12/66/35/195126635.db2.gz QPEWNMVSPLBUSR-MRXNPFEDSA-N 2 0 322.497 2.191 20 30 DEEDRP COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1C#N ZINC000353234722 132960584 /nfs/dbraw/zinc/96/05/84/132960584.db2.gz YHPLPERSIHEFOR-UHFFFAOYSA-N 2 0 319.474 2.484 20 30 DEEDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000346182840 146032458 /nfs/dbraw/zinc/03/24/58/146032458.db2.gz JOCYVQSPUSAIRV-CQSZACIVSA-N 2 0 318.440 2.374 20 30 DEEDRP CC[NH+]1CCC(CCNC(=[NH2+])NCc2ccccc2OC)CC1 ZINC000178573046 402513047 /nfs/dbraw/zinc/51/30/47/402513047.db2.gz MNRGRFQGOUHSTO-UHFFFAOYSA-N 2 0 318.465 2.222 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181316876 402640975 /nfs/dbraw/zinc/64/09/75/402640975.db2.gz ZUCOELMSZGDTFM-AEFFLSMTSA-N 2 0 315.461 2.274 20 30 DEEDRP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000172583080 402663856 /nfs/dbraw/zinc/66/38/56/402663856.db2.gz HLPUWYGZUJYEMT-MRXNPFEDSA-N 2 0 314.433 2.160 20 30 DEEDRP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(OC)c1O ZINC000346856265 403605648 /nfs/dbraw/zinc/60/56/48/403605648.db2.gz VUOTYCDIRNSDBP-JYJNAYRXSA-N 2 0 302.418 2.298 20 30 DEEDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000362032555 403919661 /nfs/dbraw/zinc/91/96/61/403919661.db2.gz NLRZCSUMCAGKGX-YJBOKZPZSA-N 2 0 312.461 2.377 20 30 DEEDRP C=CCC[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000356064725 404389579 /nfs/dbraw/zinc/38/95/79/404389579.db2.gz IPUWEGQSTHGYHQ-JKSUJKDBSA-N 2 0 319.449 2.464 20 30 DEEDRP Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330189028 404577632 /nfs/dbraw/zinc/57/76/32/404577632.db2.gz LOCZHXOXKHHJOZ-BMFZPTHFSA-N 2 0 319.453 2.053 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1CC)C(C)C ZINC000353451048 404834572 /nfs/dbraw/zinc/83/45/72/404834572.db2.gz PHJBBUCKYUYRFF-GVDBMIGSSA-N 2 0 307.482 2.189 20 30 DEEDRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424129416 405015241 /nfs/dbraw/zinc/01/52/41/405015241.db2.gz DICOPTOQITYFLM-KRWDZBQOSA-N 2 0 316.449 2.166 20 30 DEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424149555 405022455 /nfs/dbraw/zinc/02/24/55/405022455.db2.gz WRIDPHAQTSUVDV-ARFHVFGLSA-N 2 0 308.470 2.024 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C(C)C ZINC000436285434 405066961 /nfs/dbraw/zinc/06/69/61/405066961.db2.gz OUXPXKNUCPYHIF-ZIFCJYIRSA-N 2 0 319.493 2.191 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000451989373 405120305 /nfs/dbraw/zinc/12/03/05/405120305.db2.gz QGZUBQIDPSFRFF-UHFFFAOYSA-N 2 0 314.477 2.258 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]C3CCC([NH3+])CC3)CC2)cc1 ZINC000423219902 405728472 /nfs/dbraw/zinc/72/84/72/405728472.db2.gz UVBVLAHRXPAFBC-UHFFFAOYSA-N 2 0 312.461 2.382 20 30 DEEDRP COCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000423406966 405793814 /nfs/dbraw/zinc/79/38/14/405793814.db2.gz LGQYJAKTJKFGPA-CYBMUJFWSA-N 2 0 305.397 2.364 20 30 DEEDRP [NH2+]=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC1 ZINC000263160226 225292175 /nfs/dbraw/zinc/29/21/75/225292175.db2.gz QMZPXMZXTOLAEZ-QGZVFWFLSA-N 2 0 300.450 2.309 20 30 DEEDRP C=CC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662682179 425712804 /nfs/dbraw/zinc/71/28/04/425712804.db2.gz HPPZTJSCXNVUBC-SJLPKXTDSA-N 2 0 307.482 2.313 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCCCC2)O1 ZINC000262357567 276170546 /nfs/dbraw/zinc/17/05/46/276170546.db2.gz JPIINMWTCYUMGQ-CVEARBPZSA-N 2 0 322.497 2.257 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000417072799 277850750 /nfs/dbraw/zinc/85/07/50/277850750.db2.gz XHLUIINPPKBLNH-GVDBMIGSSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C(C)C ZINC000417072272 277851121 /nfs/dbraw/zinc/85/11/21/277851121.db2.gz XEDYXCFWSJMDJG-BRWVUGGUSA-N 2 0 322.497 2.077 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C)C(C)C ZINC000353454969 277852308 /nfs/dbraw/zinc/85/23/08/277852308.db2.gz WXFLYVXKBAOYQG-RCCFBDPRSA-N 2 0 321.509 2.435 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001369540199 1149029209 /nfs/dbraw/zinc/02/92/09/1149029209.db2.gz BKMJJYNIMJCJFT-CHWSQXEVSA-N 2 0 303.878 2.200 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001327467521 1148562334 /nfs/dbraw/zinc/56/23/34/1148562334.db2.gz OCJDHNSSYYLKCB-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C[NH+]=C(NC[C@H]1CCCS1)NCC1([NH+](C)C)CCCCC1 ZINC000262026544 526377697 /nfs/dbraw/zinc/37/76/97/526377697.db2.gz ZVFNRIKYCZNVJN-CQSZACIVSA-N 2 0 312.527 2.312 20 30 DEEDRP C[NH+]=C(NCc1ccc(C)s1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262014118 526382547 /nfs/dbraw/zinc/38/25/47/526382547.db2.gz XJFOYQIRWIYKDX-ABAIWWIYSA-N 2 0 306.479 2.204 20 30 DEEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246008738 527015292 /nfs/dbraw/zinc/01/52/92/527015292.db2.gz KSBGAYURDBFNOE-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC000262231523 527314409 /nfs/dbraw/zinc/31/44/09/527314409.db2.gz ABOFHKGELCKRBL-HOTGVXAUSA-N 2 0 318.852 2.403 20 30 DEEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264065047 527981005 /nfs/dbraw/zinc/98/10/05/527981005.db2.gz AVTSZDZJJVSYRB-KRWDZBQOSA-N 2 0 302.466 2.208 20 30 DEEDRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424058592 528277009 /nfs/dbraw/zinc/27/70/09/528277009.db2.gz LREXOQJHIRMVPY-DLBZAZTESA-N 2 0 316.449 2.207 20 30 DEEDRP CC[NH+]=C(NCc1ccsc1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262025079 528818022 /nfs/dbraw/zinc/81/80/22/528818022.db2.gz ZMPCIXWBSGEYQG-WFASDCNBSA-N 2 0 306.479 2.286 20 30 DEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443980900 529148344 /nfs/dbraw/zinc/14/83/44/529148344.db2.gz NVNCYDRCADLGIU-MRXNPFEDSA-N 2 0 314.477 2.230 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632381 625364397 /nfs/dbraw/zinc/36/43/97/625364397.db2.gz LLHQVZZMZGLQQX-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684975 625439654 /nfs/dbraw/zinc/43/96/54/625439654.db2.gz KNWYJWONILLIJM-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680512 622879934 /nfs/dbraw/zinc/87/99/34/622879934.db2.gz NDUSVTAZZBDLMN-CVEARBPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605248 623821350 /nfs/dbraw/zinc/82/13/50/623821350.db2.gz LXDSXVIIONAWCT-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)CC1 ZINC000893021337 625057083 /nfs/dbraw/zinc/05/70/83/625057083.db2.gz BNCHIKPPDCXXIX-FUHWJXTLSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024813325 625066097 /nfs/dbraw/zinc/06/60/97/625066097.db2.gz ZGCGQEPYDFCBEJ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022975404 625122814 /nfs/dbraw/zinc/12/28/14/625122814.db2.gz KWBCOUCJIPSCFL-XQLPTFJDSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023154105 625170989 /nfs/dbraw/zinc/17/09/89/625170989.db2.gz OHGKYIMIUQSTLW-OKILXGFUSA-N 2 0 305.422 2.158 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024524244 625838306 /nfs/dbraw/zinc/83/83/06/625838306.db2.gz UNLKRZBCRDQYQL-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000999413260 634587329 /nfs/dbraw/zinc/58/73/29/634587329.db2.gz ZJXIJOSRMKUVKR-UHFFFAOYSA-N 2 0 315.461 2.169 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999788139 634682832 /nfs/dbraw/zinc/68/28/32/634682832.db2.gz BMOJRRUPOXEJKU-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001000241068 634818901 /nfs/dbraw/zinc/81/89/01/634818901.db2.gz NLTDHEAGERGSOU-HOTGVXAUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC000995842236 633126205 /nfs/dbraw/zinc/12/62/05/633126205.db2.gz TZUBZLKLUJGAQO-XHSDSOJGSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996128211 633191560 /nfs/dbraw/zinc/19/15/60/633191560.db2.gz QRKSCDILTPXVBK-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974660751 633205974 /nfs/dbraw/zinc/20/59/74/633205974.db2.gz WACIEURZFRANGY-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC000996672357 633345900 /nfs/dbraw/zinc/34/59/00/633345900.db2.gz FRFJCRCTKMGPRY-HZPDHXFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997062028 633566431 /nfs/dbraw/zinc/56/64/31/633566431.db2.gz LABHEBQMSNUWJP-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027433190 633775121 /nfs/dbraw/zinc/77/51/21/633775121.db2.gz UOGQPMKOGMXWMH-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027437658 633785136 /nfs/dbraw/zinc/78/51/36/633785136.db2.gz CYAFWDMSWZABJM-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980083297 634845507 /nfs/dbraw/zinc/84/55/07/634845507.db2.gz IAKNKFHORXOGHA-GVDBMIGSSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980170320 634873704 /nfs/dbraw/zinc/87/37/04/634873704.db2.gz BNJVCZDRIURUDM-BZSNNMDCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027930367 634997535 /nfs/dbraw/zinc/99/75/35/634997535.db2.gz OIGNPCJWFOXLNW-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001000315539 635143150 /nfs/dbraw/zinc/14/31/50/635143150.db2.gz XHEPDPUHHANFOJ-UHFFFAOYSA-N 2 0 317.477 2.019 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001000530114 635221609 /nfs/dbraw/zinc/22/16/09/635221609.db2.gz DTASHMVDCCLRKZ-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000677140 635273687 /nfs/dbraw/zinc/27/36/87/635273687.db2.gz FIJFTPGJPYQCNU-QGZVFWFLSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000681974 635276016 /nfs/dbraw/zinc/27/60/16/635276016.db2.gz GJEYNIODTFUSEZ-MSOLQXFVSA-N 2 0 317.477 2.185 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000767242 635289808 /nfs/dbraw/zinc/28/98/08/635289808.db2.gz MYAGAWANRFQXHI-GOSISDBHSA-N 2 0 319.493 2.289 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001000992525 635383238 /nfs/dbraw/zinc/38/32/38/635383238.db2.gz MIBCOTDTOULDRB-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001367761 635478732 /nfs/dbraw/zinc/47/87/32/635478732.db2.gz COFSJJJCNXOYGB-MSOLQXFVSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001372029 635479760 /nfs/dbraw/zinc/47/97/60/635479760.db2.gz SFVHENNCHVLNOS-MSOLQXFVSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001001467142 635501577 /nfs/dbraw/zinc/50/15/77/635501577.db2.gz GVGPIBDGACRFDA-UHFFFAOYSA-N 2 0 313.445 2.296 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001001582870 635528769 /nfs/dbraw/zinc/52/87/69/635528769.db2.gz PGTXPEQRDMZSML-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002813017 635804513 /nfs/dbraw/zinc/80/45/13/635804513.db2.gz VWUWNYMBZGBOQZ-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982152024 635891480 /nfs/dbraw/zinc/89/14/80/635891480.db2.gz PZOTVUGZFZOTIR-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001003142987 635915628 /nfs/dbraw/zinc/91/56/28/635915628.db2.gz FVMHNXHHEUDDFF-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028251701 635960140 /nfs/dbraw/zinc/96/01/40/635960140.db2.gz JWIPVOAXDCOXAT-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774861 636135387 /nfs/dbraw/zinc/13/53/87/636135387.db2.gz HVTZOXKRFAQROU-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP 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 636496011 /nfs/dbraw/zinc/49/60/11/636496011.db2.gz PSTVTIFMMPLJOP-PBWTXFEYSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004618359 636503460 /nfs/dbraw/zinc/50/34/60/636503460.db2.gz VWLWNDRASNNFKS-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001005586051 636789725 /nfs/dbraw/zinc/78/97/25/636789725.db2.gz UKBOUWDRVJLTIC-IRXDYDNUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC001005894626 636944696 /nfs/dbraw/zinc/94/46/96/636944696.db2.gz YKMVLXSRTFBZQV-UHFFFAOYSA-N 2 0 319.449 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005999138 637064237 /nfs/dbraw/zinc/06/42/37/637064237.db2.gz YLPZHLFXQANOEO-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923385975 637154216 /nfs/dbraw/zinc/15/42/16/637154216.db2.gz IAGVCFMSQINIRS-OALUTQOASA-N 2 0 313.445 2.303 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]c(NCC#Cc3ccccc3)c2)CC1 ZINC000895758322 638184737 /nfs/dbraw/zinc/18/47/37/638184737.db2.gz GLTZSXZRTPBIDE-UHFFFAOYSA-N 2 0 306.413 2.297 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000764307327 640622892 /nfs/dbraw/zinc/62/28/92/640622892.db2.gz JZEAYDCFHSDJBZ-UHFFFAOYSA-N 2 0 319.449 2.464 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989190641 640748876 /nfs/dbraw/zinc/74/88/76/640748876.db2.gz WTSYCVUJQCRVJC-GXTWGEPZSA-N 2 0 318.808 2.279 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990767770 641986560 /nfs/dbraw/zinc/98/65/60/641986560.db2.gz YRSXSSAAQXMOLQ-YFHUEUNASA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000900428948 642367626 /nfs/dbraw/zinc/36/76/26/642367626.db2.gz LNQPXIIYTDJIOW-IXDOHACOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902813989 643155571 /nfs/dbraw/zinc/15/55/71/643155571.db2.gz KYEBYLVTKZZMIY-IRXDYDNUSA-N 2 0 310.482 2.327 20 30 DEEDRP CSC1(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CC[NH+](C)CC1 ZINC000902992225 643213854 /nfs/dbraw/zinc/21/38/54/643213854.db2.gz HXYVERYNMMGSFC-ZDUSSCGKSA-N 2 0 304.463 2.431 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000903458911 643352181 /nfs/dbraw/zinc/35/21/81/643352181.db2.gz MXKUMVADNJRSIM-KRWDZBQOSA-N 2 0 324.432 2.062 20 30 DEEDRP CSCCC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912507875 646090135 /nfs/dbraw/zinc/09/01/35/646090135.db2.gz GZIVARMPMVQPBY-ZDUSSCGKSA-N 2 0 300.516 2.167 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(NC[C@@H]2CCCO2)=[NH+]C(C)(C)C)C1 ZINC000912509173 646091065 /nfs/dbraw/zinc/09/10/65/646091065.db2.gz VTQFSXQWSBLWEY-CVEARBPZSA-N 2 0 324.513 2.231 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992175089 646885956 /nfs/dbraw/zinc/88/59/56/646885956.db2.gz TUGWZURDTPRTEB-LPHOPBHVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992192668 646895548 /nfs/dbraw/zinc/89/55/48/646895548.db2.gz TYKGATZMPZCKFA-XYJFISCASA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387495 647287941 /nfs/dbraw/zinc/28/79/41/647287941.db2.gz LVRRDYBOPCIVPO-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939812269 648729430 /nfs/dbraw/zinc/72/94/30/648729430.db2.gz VXAJDERCCZMHAK-UKRRQHHQSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737357 648935547 /nfs/dbraw/zinc/93/55/47/648935547.db2.gz NXLDKYLNNDOCRG-HZPDHXFCSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757004 648940185 /nfs/dbraw/zinc/94/01/85/648940185.db2.gz PFKCQFHRGKLSNM-OAGGEKHMSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940801149 648944824 /nfs/dbraw/zinc/94/48/24/648944824.db2.gz ODZPSTYMPVJXGJ-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076266 648994970 /nfs/dbraw/zinc/99/49/70/648994970.db2.gz VBLJMIMLYCHWKQ-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203330 649183144 /nfs/dbraw/zinc/18/31/44/649183144.db2.gz GXUCUBSYSZOGKB-KBXCAEBGSA-N 2 0 324.428 2.106 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(C)cc(C)c1 ZINC000304762959 685260910 /nfs/dbraw/zinc/26/09/10/685260910.db2.gz WGXXTPFEIHDGAZ-QGZVFWFLSA-N 2 0 302.466 2.235 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000104174488 684058562 /nfs/dbraw/zinc/05/85/62/684058562.db2.gz DYODJBGWSICGEX-CYBMUJFWSA-N 2 0 320.437 2.162 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148710 693863550 /nfs/dbraw/zinc/86/35/50/693863550.db2.gz USJKRABTFOKSFJ-FUHWJXTLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054196762 693877505 /nfs/dbraw/zinc/87/75/05/693877505.db2.gz MOCNNVXECSJGTR-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)C[NH+]1CCCCC1 ZINC000303866004 685236941 /nfs/dbraw/zinc/23/69/41/685236941.db2.gz CBQDLEGFPASIOQ-MRXNPFEDSA-N 2 0 302.466 2.255 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC[NH+]2CCCCCC2)cc1OC ZINC000303891746 685238853 /nfs/dbraw/zinc/23/88/53/685238853.db2.gz NHVUCLVAMVLXCY-UHFFFAOYSA-N 2 0 320.437 2.306 20 30 DEEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000303907615 685240038 /nfs/dbraw/zinc/24/00/38/685240038.db2.gz WZISDUGCJCREFA-UHFFFAOYSA-N 2 0 320.506 2.392 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001054646676 694014422 /nfs/dbraw/zinc/01/44/22/694014422.db2.gz CIQJQWPXZLTNBV-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707487 687686161 /nfs/dbraw/zinc/68/61/61/687686161.db2.gz VZWIRVHJDQINER-INIZCTEOSA-N 2 0 317.477 2.162 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016863988 687721647 /nfs/dbraw/zinc/72/16/47/687721647.db2.gz YIKRPVXFUBUGFT-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001018851847 688243893 /nfs/dbraw/zinc/24/38/93/688243893.db2.gz WFZJVMXSLWDKHR-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032454501 689155772 /nfs/dbraw/zinc/15/57/72/689155772.db2.gz VJTPFEVXOHONLY-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083320 689381115 /nfs/dbraw/zinc/38/11/15/689381115.db2.gz ZQPXHOGIFRIHOR-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033145888 689403626 /nfs/dbraw/zinc/40/36/26/689403626.db2.gz LNGBDFHFEILXEN-DLBZAZTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182828 689415018 /nfs/dbraw/zinc/41/50/18/689415018.db2.gz RSPKTFFMKOZXAF-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228281 689431444 /nfs/dbraw/zinc/43/14/44/689431444.db2.gz KCQHXMSGTDKLRJ-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932353 689666212 /nfs/dbraw/zinc/66/62/12/689666212.db2.gz LWFBDMVXRWQMKV-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932352 689666495 /nfs/dbraw/zinc/66/64/95/689666495.db2.gz LWFBDMVXRWQMKV-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034216425 689766318 /nfs/dbraw/zinc/76/63/18/689766318.db2.gz GQJCIYTWUIQPCT-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328820 689810111 /nfs/dbraw/zinc/81/01/11/689810111.db2.gz DUPYUSFSELJMQU-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034330972 689811958 /nfs/dbraw/zinc/81/19/58/689811958.db2.gz QQBMOKJWOVCEGS-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000876722506 689915294 /nfs/dbraw/zinc/91/52/94/689915294.db2.gz WXZJFNXPDRJEKR-GJZGRUSLSA-N 2 0 315.889 2.329 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000876725785 689916696 /nfs/dbraw/zinc/91/66/96/689916696.db2.gz XJGVLARLUFJEKN-AWEZNQCLSA-N 2 0 301.862 2.085 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000876728480 689918184 /nfs/dbraw/zinc/91/81/84/689918184.db2.gz NKYMAEFGPMTLHO-AWEZNQCLSA-N 2 0 303.878 2.283 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001034684382 689925972 /nfs/dbraw/zinc/92/59/72/689925972.db2.gz KKDCQRJIAYYAJJ-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034733838 689936475 /nfs/dbraw/zinc/93/64/75/689936475.db2.gz DUJGMHUJUCCOCE-QEJZJMRPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001034777052 689945915 /nfs/dbraw/zinc/94/59/15/689945915.db2.gz NVSMFIJFFCVSBA-VQHPVUNQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877120437 690023303 /nfs/dbraw/zinc/02/33/03/690023303.db2.gz ROIMEEWMYHTDAW-JKSUJKDBSA-N 2 0 321.852 2.095 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035227051 690066959 /nfs/dbraw/zinc/06/69/59/690066959.db2.gz NGNLWOFEJVHZED-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001037973491 690654000 /nfs/dbraw/zinc/65/40/00/690654000.db2.gz ASSFSAURWRPFHC-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040276 691000586 /nfs/dbraw/zinc/00/05/86/691000586.db2.gz QBKNDHHRHGTQJS-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134007 691030169 /nfs/dbraw/zinc/03/01/69/691030169.db2.gz NQYUESBPMABGIB-ZWKOTPCHSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001039297900 691076879 /nfs/dbraw/zinc/07/68/79/691076879.db2.gz DCGDDBMGDPQMHY-CSNJMZFVSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001039306103 691078113 /nfs/dbraw/zinc/07/81/13/691078113.db2.gz RIGFRUHQQVENJU-ALOPSCKCSA-N 2 0 317.477 2.160 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040114364 691199734 /nfs/dbraw/zinc/19/97/34/691199734.db2.gz KGXDNCQGYBWPPK-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040209252 691213437 /nfs/dbraw/zinc/21/34/37/691213437.db2.gz HQZVKESTRSTAGI-ZHALLVOQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040368513 691236774 /nfs/dbraw/zinc/23/67/74/691236774.db2.gz HTLWPSJKKFNADV-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624577 691402685 /nfs/dbraw/zinc/40/26/85/691402685.db2.gz BJARZPXBPKYRBB-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725278 691418201 /nfs/dbraw/zinc/41/82/01/691418201.db2.gz MUUYKZVFMLQFTA-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094176 691506416 /nfs/dbraw/zinc/50/64/16/691506416.db2.gz QFVBUIPRXOOALD-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438922 691981128 /nfs/dbraw/zinc/98/11/28/691981128.db2.gz WZZMULRJCXIRHC-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)CC3(C#N)CCC3)C2)CC1 ZINC000886186283 692020448 /nfs/dbraw/zinc/02/04/48/692020448.db2.gz UMXPEOGDBMLQFT-MRXNPFEDSA-N 2 0 305.466 2.239 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369133 692168340 /nfs/dbraw/zinc/16/83/40/692168340.db2.gz POROFRDAGIQUHM-SJLPKXTDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001049001316 692741123 /nfs/dbraw/zinc/74/11/23/692741123.db2.gz PAAOKLVZVJNTNU-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235870 692796819 /nfs/dbraw/zinc/79/68/19/692796819.db2.gz WIDOVDJTOYJWNP-KSZLIROESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671622 692961006 /nfs/dbraw/zinc/96/10/06/692961006.db2.gz LXZGAURQICEJIV-XSLAGTTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049724856 692976853 /nfs/dbraw/zinc/97/68/53/692976853.db2.gz UGBMZRPPGWZTLW-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846206 693020278 /nfs/dbraw/zinc/02/02/78/693020278.db2.gz GIYSGOOUNINOGJ-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915120 693046930 /nfs/dbraw/zinc/04/69/30/693046930.db2.gz SOYWJBWRQGUYGR-KSZLIROESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001050582698 693211263 /nfs/dbraw/zinc/21/12/63/693211263.db2.gz HKFBHDIMVAWBFG-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663010 693226853 /nfs/dbraw/zinc/22/68/53/693226853.db2.gz PQILNELBFWFSAQ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925725090 693330698 /nfs/dbraw/zinc/33/06/98/693330698.db2.gz HACAYCBEZHWPTQ-UYHBIPHVSA-N 2 0 322.456 2.113 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000925893171 693360943 /nfs/dbraw/zinc/36/09/43/693360943.db2.gz MJTRROVSQIIUIS-IXDOHACOSA-N 2 0 313.449 2.266 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052367845 693516165 /nfs/dbraw/zinc/51/61/65/693516165.db2.gz BYVSQJGYHCQKIO-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052529501 693559927 /nfs/dbraw/zinc/55/99/27/693559927.db2.gz RMWIFYPTBOGWQK-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP CC(C)CC[NH+]1CCC([NH2+]CCNc2ccc(C#N)cn2)CC1 ZINC000927168229 693564700 /nfs/dbraw/zinc/56/47/00/693564700.db2.gz RJIKMOAZURTIRD-UHFFFAOYSA-N 2 0 315.465 2.465 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871981 693638485 /nfs/dbraw/zinc/63/84/85/693638485.db2.gz SWIHYEFRUOWAHE-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052955332 693655401 /nfs/dbraw/zinc/65/54/01/693655401.db2.gz DAERJEDVUCHZEJ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107167 782193103 /nfs/dbraw/zinc/19/31/03/782193103.db2.gz WKHOVNAWANTUSX-HZPDHXFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332221159 1149837358 /nfs/dbraw/zinc/83/73/58/1149837358.db2.gz WZZYUCNBWYAKJT-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001380841427 1152864151 /nfs/dbraw/zinc/86/41/51/1152864151.db2.gz ZJJSSVYXKAHMMY-UKRRQHHQSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001380931051 1152879858 /nfs/dbraw/zinc/87/98/58/1152879858.db2.gz KPYNHTUSFRLLIH-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C[C@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC001363291169 1153317037 /nfs/dbraw/zinc/31/70/37/1153317037.db2.gz XPMHVOUKKLBGCW-KXBFYZLASA-N 2 0 322.412 2.197 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001373024413 1156840368 /nfs/dbraw/zinc/84/03/68/1156840368.db2.gz BDYULFCYXRJVES-AWEZNQCLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001393035835 1157623270 /nfs/dbraw/zinc/62/32/70/1157623270.db2.gz KSIZTJHIXSHWEQ-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001374887552 1158076041 /nfs/dbraw/zinc/07/60/41/1158076041.db2.gz ZGORVOSFBPRWAH-ZDUSSCGKSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001394188870 1158357180 /nfs/dbraw/zinc/35/71/80/1158357180.db2.gz PJRXFNLFUFRFKO-CQSZACIVSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568500992 1158399289 /nfs/dbraw/zinc/39/92/89/1158399289.db2.gz BUITUNJXKRXDBD-IAGOWNOFSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001376597163 1159588947 /nfs/dbraw/zinc/58/89/47/1159588947.db2.gz GQJWTHMWVGNJHA-RBSFLKMASA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001400075502 1161647629 /nfs/dbraw/zinc/64/76/29/1161647629.db2.gz AEPXTBGOJSXLSN-UKRRQHHQSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001401964442 1162199403 /nfs/dbraw/zinc/19/94/03/1162199403.db2.gz TUQYBRLPQNSDQU-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001418167924 1167455387 /nfs/dbraw/zinc/45/53/87/1167455387.db2.gz SSTSRESSIKGODV-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001418257819 1167525044 /nfs/dbraw/zinc/52/50/44/1167525044.db2.gz RBUKYOKWFTZWLM-ZDUSSCGKSA-N 2 0 318.808 2.333 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001423013490 1173015844 /nfs/dbraw/zinc/01/58/44/1173015844.db2.gz ZEMLXFYFOOGZQY-LSDHHAIUSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001423166225 1173136262 /nfs/dbraw/zinc/13/62/62/1173136262.db2.gz BKHORLMXEUXRAW-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001438715149 1180784549 /nfs/dbraw/zinc/78/45/49/1180784549.db2.gz PLAGGQIWVHNSCW-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001438805696 1180818225 /nfs/dbraw/zinc/81/82/25/1180818225.db2.gz QHMGXGWBSFFRDU-GJZGRUSLSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001439766099 1181227205 /nfs/dbraw/zinc/22/72/05/1181227205.db2.gz UHTXKUYGODVMMG-KGLIPLIRSA-N 2 0 301.862 2.048 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001330614286 1149211728 /nfs/dbraw/zinc/21/17/28/1149211728.db2.gz SJQHUCAIWNMYMN-BRSBDYLESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001330614289 1149212276 /nfs/dbraw/zinc/21/22/76/1149212276.db2.gz SJQHUCAIWNMYMN-XLAORIBOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001072882837 790287174 /nfs/dbraw/zinc/28/71/74/790287174.db2.gz RWDZIFZQWKDSTR-UHFFFAOYSA-N 2 0 324.428 2.367 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001332707607 1149882165 /nfs/dbraw/zinc/88/21/65/1149882165.db2.gz NPSZQYSQVNQZQU-GOSISDBHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344954 782729702 /nfs/dbraw/zinc/72/97/02/782729702.db2.gz UUCFDXVTKGNLKT-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001333398523 1150044960 /nfs/dbraw/zinc/04/49/60/1150044960.db2.gz AHJQIHNFERVFHO-IAGOWNOFSA-N 2 0 319.493 2.431 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001106775377 782929960 /nfs/dbraw/zinc/92/99/60/782929960.db2.gz AKBBIIBDFKNJST-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386059 783063002 /nfs/dbraw/zinc/06/30/02/783063002.db2.gz MGQGJJJTCOVEAA-SJORKVTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484482 783151364 /nfs/dbraw/zinc/15/13/64/783151364.db2.gz XOTUVBQJRQUJHL-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493454 783159553 /nfs/dbraw/zinc/15/95/53/783159553.db2.gz XBEFTUNHICGCHD-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)CC(C)(C)C1 ZINC001089529664 783185200 /nfs/dbraw/zinc/18/52/00/783185200.db2.gz VPEBLJHSODVZEQ-AWEZNQCLSA-N 2 0 304.438 2.135 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540463 783192257 /nfs/dbraw/zinc/19/22/57/783192257.db2.gz VVPJFTAIOLDTDQ-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240296 776792320 /nfs/dbraw/zinc/79/23/20/776792320.db2.gz IMUIHPHCBKFWAF-UHFFFAOYSA-N 2 0 309.498 2.417 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385374 776978805 /nfs/dbraw/zinc/97/88/05/776978805.db2.gz AKVRSKLIBABBGX-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087317389 777781287 /nfs/dbraw/zinc/78/12/87/777781287.db2.gz HKHSXODSMATMTK-BPQIPLTHSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749295 779434522 /nfs/dbraw/zinc/43/45/22/779434522.db2.gz DBFGVNUYDBVWIB-RCCFBDPRSA-N 2 0 319.493 2.242 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106695 779705968 /nfs/dbraw/zinc/70/59/68/779705968.db2.gz MOCQVGMWNVPYQI-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212785 779776265 /nfs/dbraw/zinc/77/62/65/779776265.db2.gz PMWCXJOMTQFWKX-SQNIBIBYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088381856 780052365 /nfs/dbraw/zinc/05/23/65/780052365.db2.gz OMJMWXQUVXPYQE-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC001088430371 780115039 /nfs/dbraw/zinc/11/50/39/780115039.db2.gz NSEIAXACTJTIGI-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046050 780902678 /nfs/dbraw/zinc/90/26/78/780902678.db2.gz JOUBGWHXXOXYOR-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C[C@@H](Cc1cccc(C#N)c1)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001171190029 790926252 /nfs/dbraw/zinc/92/62/52/790926252.db2.gz OTXVBICKDSNISF-JTQLQIEISA-N 2 0 321.475 2.374 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905293 783336592 /nfs/dbraw/zinc/33/65/92/783336592.db2.gz JCMWTKYODJKBCL-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732140 783396035 /nfs/dbraw/zinc/39/60/35/783396035.db2.gz NLKIHLGDEAUZCW-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732142 783396927 /nfs/dbraw/zinc/39/69/27/783396927.db2.gz NLKIHLGDEAUZCW-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086098631 784407851 /nfs/dbraw/zinc/40/78/51/784407851.db2.gz NVGNOKGIOCUTIZ-XBXGTLAGSA-N 2 0 307.463 2.094 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086107498 784414030 /nfs/dbraw/zinc/41/40/30/784414030.db2.gz XQVBTNHAVUMSPL-JZXOWHBKSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968954294 784667624 /nfs/dbraw/zinc/66/76/24/784667624.db2.gz ATRJWGAFBMLWQM-KRWDZBQOSA-N 2 0 324.428 2.332 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955369 784668383 /nfs/dbraw/zinc/66/83/83/784668383.db2.gz TUSMOHKGGRIJOA-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007321953 784886483 /nfs/dbraw/zinc/88/64/83/784886483.db2.gz SUMVNWDKIWLHQX-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001007457371 784924571 /nfs/dbraw/zinc/92/45/71/784924571.db2.gz MGHPJWQBSCKWPM-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001108754907 785525004 /nfs/dbraw/zinc/52/50/04/785525004.db2.gz QJAKVMACJZOQGA-SZMVWBNQSA-N 2 0 319.493 2.264 20 30 DEEDRP 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 785856968 /nfs/dbraw/zinc/85/69/68/785856968.db2.gz YHKRSZMWTAQFPM-LTIDMASMSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1ccnc1)C2 ZINC001109431284 785871738 /nfs/dbraw/zinc/87/17/38/785871738.db2.gz HEMBZGMEUAIEOG-QZWWFDLISA-N 2 0 316.449 2.378 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671543 785983591 /nfs/dbraw/zinc/98/35/91/785983591.db2.gz OREICERMTKIVHY-RANZSIQMSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112964360 786330884 /nfs/dbraw/zinc/33/08/84/786330884.db2.gz RZVMJYNNWHALGK-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112964359 786331466 /nfs/dbraw/zinc/33/14/66/786331466.db2.gz RZVMJYNNWHALGK-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001113682483 786758863 /nfs/dbraw/zinc/75/88/63/786758863.db2.gz DHAVNOAIRGWOGD-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874981 787489661 /nfs/dbraw/zinc/48/96/61/787489661.db2.gz XTSLXORNWCBIFY-UHFFFAOYSA-N 2 0 300.406 2.400 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001137552890 787536705 /nfs/dbraw/zinc/53/67/05/787536705.db2.gz HPPFKCGDEHKBOM-IRXDYDNUSA-N 2 0 315.461 2.226 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212272 787967479 /nfs/dbraw/zinc/96/74/79/787967479.db2.gz VWGHEVVZGRFEFV-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085562 787973292 /nfs/dbraw/zinc/97/32/92/787973292.db2.gz IMBORPSUAPJCMQ-TVFCKZIOSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265119 787996773 /nfs/dbraw/zinc/99/67/73/787996773.db2.gz IGDLXJJFKNTNMI-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493584 788104575 /nfs/dbraw/zinc/10/45/75/788104575.db2.gz MGPQCTGPYCHETR-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790977 788194963 /nfs/dbraw/zinc/19/49/63/788194963.db2.gz OOCGVAKWNJQEFT-OAHLLOKOSA-N 2 0 313.873 2.242 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132894060 788220928 /nfs/dbraw/zinc/22/09/28/788220928.db2.gz WMXXPJJOOZXYMT-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133162388 788303869 /nfs/dbraw/zinc/30/38/69/788303869.db2.gz LWSJYAOHTQGZFM-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133190251 788312996 /nfs/dbraw/zinc/31/29/96/788312996.db2.gz FSBRBODQIBTABX-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133212912 788320182 /nfs/dbraw/zinc/32/01/82/788320182.db2.gz GWTDPCSBZINETJ-AEFFLSMTSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133253959 788341867 /nfs/dbraw/zinc/34/18/67/788341867.db2.gz NMJSHGQCBOGEGV-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275102 788346247 /nfs/dbraw/zinc/34/62/47/788346247.db2.gz PGONJTJEIMGIOT-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170750736 788914014 /nfs/dbraw/zinc/91/40/14/788914014.db2.gz MOVNILMHMPVJAJ-DLBZAZTESA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134520317 788961674 /nfs/dbraw/zinc/96/16/74/788961674.db2.gz OVQNMSFMAWRGLF-KGLIPLIRSA-N 2 0 321.490 2.320 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181604 789234552 /nfs/dbraw/zinc/23/45/52/789234552.db2.gz RSBILKUGUQAPAA-ZIAGYGMSSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135467474 789356717 /nfs/dbraw/zinc/35/67/17/789356717.db2.gz GKKPIKUXURTJGQ-UONOGXRCSA-N 2 0 315.889 2.344 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824069 789512597 /nfs/dbraw/zinc/51/25/97/789512597.db2.gz MKWHXCAVHFWSHV-HZPDHXFCSA-N 2 0 307.482 2.003 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](CCC)CCC ZINC001135906118 789555646 /nfs/dbraw/zinc/55/56/46/789555646.db2.gz ZRSFMQWQUVWEIP-IAGOWNOFSA-N 2 0 309.498 2.395 20 30 DEEDRP C[N@@H+]1CC[C@H](c2ccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)cc2)C1 ZINC001171260072 791176094 /nfs/dbraw/zinc/17/60/94/791176094.db2.gz DHQVUCKBKGFXMW-INIZCTEOSA-N 2 0 322.412 2.242 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398477 791279855 /nfs/dbraw/zinc/27/98/55/791279855.db2.gz OZHBWQNSAZTPPM-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146536526 791307334 /nfs/dbraw/zinc/30/73/34/791307334.db2.gz RTNLDLAFZLURAI-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147410754 791535619 /nfs/dbraw/zinc/53/56/19/791535619.db2.gz UVOOZTKIOJLTPS-SFHVURJKSA-N 2 0 303.450 2.135 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015453 791923461 /nfs/dbraw/zinc/92/34/61/791923461.db2.gz SBTZMDQVTXBDKQ-APWZRJJASA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001099321647 792171079 /nfs/dbraw/zinc/17/10/79/792171079.db2.gz ZCSHMZVYCABHTJ-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148138 792527822 /nfs/dbraw/zinc/52/78/22/792527822.db2.gz KYJGQKBUDCMYOU-IKGGRYGDSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405762 792631574 /nfs/dbraw/zinc/63/15/74/792631574.db2.gz LRAHTIKIKHLKHJ-QQFBHYJXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001100538041 792710797 /nfs/dbraw/zinc/71/07/97/792710797.db2.gz ALBIBXRFRQFDRO-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635762 792760313 /nfs/dbraw/zinc/76/03/13/792760313.db2.gz FATOKQBALGVSQX-HPUBIQBYSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100730764 792817732 /nfs/dbraw/zinc/81/77/32/792817732.db2.gz OAWHDOYSSQUYHG-KLAILNCOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094459075 792931831 /nfs/dbraw/zinc/93/18/31/792931831.db2.gz ARQLFLNXXGHHMV-IEBWSBKVSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101285274 793102353 /nfs/dbraw/zinc/10/23/53/793102353.db2.gz VZLOZPKUHFCBCQ-QAPCUYQASA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464359 793171021 /nfs/dbraw/zinc/17/10/21/793171021.db2.gz FKXCGGYZRHKFMB-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970505 793547976 /nfs/dbraw/zinc/54/79/76/793547976.db2.gz GOLHWZSJUBLZLF-CABCVRRESA-N 2 0 324.469 2.337 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600766 793668861 /nfs/dbraw/zinc/66/88/61/793668861.db2.gz UMXNAWSQHJZRPI-BRWVUGGUSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089945 793937437 /nfs/dbraw/zinc/93/74/37/793937437.db2.gz HIGKWXFQOBIADP-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001174882992 794082276 /nfs/dbraw/zinc/08/22/76/794082276.db2.gz ZYRSNVOTIOIRMJ-ZWKOTPCHSA-N 2 0 321.509 2.396 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612879 794160337 /nfs/dbraw/zinc/16/03/37/794160337.db2.gz ZHHCICHFTGJVOE-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175573943 794245174 /nfs/dbraw/zinc/24/51/74/794245174.db2.gz RPSUSQCUGYEMLS-DLBZAZTESA-N 2 0 307.482 2.147 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001176629319 794463350 /nfs/dbraw/zinc/46/33/50/794463350.db2.gz UUFCJIAXSRBGJU-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753021 794496126 /nfs/dbraw/zinc/49/61/26/794496126.db2.gz CEYNNMUYOQBCAE-ROUUACIJSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754481 794497270 /nfs/dbraw/zinc/49/72/70/794497270.db2.gz WQIOIUPOLQIELC-AWEZNQCLSA-N 2 0 303.878 2.344 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009733 794544545 /nfs/dbraw/zinc/54/45/45/794544545.db2.gz RAHSKHIAACKAPP-WMZOPIPTSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001112399562 794622959 /nfs/dbraw/zinc/62/29/59/794622959.db2.gz ZQFTVDDRVUJSBE-SCTDSRPQSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477629 794689909 /nfs/dbraw/zinc/68/99/09/794689909.db2.gz JSNXINBLKNSZRP-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483573 794936180 /nfs/dbraw/zinc/93/61/80/794936180.db2.gz DXLFMXJFFBUPFE-ROUUACIJSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878382 795019410 /nfs/dbraw/zinc/01/94/10/795019410.db2.gz SLUYRHVZLYPHPH-ULQDDVLXSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180373085 795292440 /nfs/dbraw/zinc/29/24/40/795292440.db2.gz ROWOELJZKDTHLI-SFHVURJKSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180372848 795292970 /nfs/dbraw/zinc/29/29/70/795292970.db2.gz IQGAJJRCWPKSMN-GOSISDBHSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180373041 795292971 /nfs/dbraw/zinc/29/29/71/795292971.db2.gz OTBGOPCMDQJIPB-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CCCn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nn1 ZINC001120072552 795402684 /nfs/dbraw/zinc/40/26/84/795402684.db2.gz WVDIGANULVNDBQ-UXLLHSPISA-N 2 0 303.454 2.016 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430149 795458864 /nfs/dbraw/zinc/45/88/64/795458864.db2.gz IPACKNQCANATDL-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440632 795460886 /nfs/dbraw/zinc/46/08/86/795460886.db2.gz QBVBEGJRMOQQCW-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761427 795683875 /nfs/dbraw/zinc/68/38/75/795683875.db2.gz LORAISPJEZFEST-APUKJBRXSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121772896 795685872 /nfs/dbraw/zinc/68/58/72/795685872.db2.gz JYUKRBNOGWPBGS-DKVCYUOUSA-N 2 0 319.493 2.167 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121791344 795687567 /nfs/dbraw/zinc/68/75/67/795687567.db2.gz NBFADLNHVRHOPG-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001121896391 795700501 /nfs/dbraw/zinc/70/05/01/795700501.db2.gz MXZPLPXYQMMNJR-QCAIOMPUSA-N 2 0 316.449 2.181 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623308 795713589 /nfs/dbraw/zinc/71/35/89/795713589.db2.gz HCPIQLWWBKCBGN-VQIMIIECSA-N 2 0 321.509 2.062 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC001122033037 795719806 /nfs/dbraw/zinc/71/98/06/795719806.db2.gz BBDCMFRUFCTKSD-OAHLLOKOSA-N 2 0 309.479 2.322 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231049 795738563 /nfs/dbraw/zinc/73/85/63/795738563.db2.gz BWLTYGGVVJNVQQ-YCTIJVIUSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183164859 795824243 /nfs/dbraw/zinc/82/42/43/795824243.db2.gz BZIKGVIKTNBHCC-ZHALLVOQSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184559581 796083992 /nfs/dbraw/zinc/08/39/92/796083992.db2.gz MTAPTFTVHBEFSC-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1C ZINC001185316930 796228319 /nfs/dbraw/zinc/22/83/19/796228319.db2.gz KVCCPHQZFDPJID-ZWKOTPCHSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185348544 796236102 /nfs/dbraw/zinc/23/61/02/796236102.db2.gz QLQDOSZFONALPN-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185348549 796236130 /nfs/dbraw/zinc/23/61/30/796236130.db2.gz QLQDOSZFONALPN-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185412248 796260504 /nfs/dbraw/zinc/26/05/04/796260504.db2.gz QSUDGAUNDCQMDU-AEFFLSMTSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185546399 796288503 /nfs/dbraw/zinc/28/85/03/796288503.db2.gz BLWAMPYJTQQCLO-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001185729957 796309943 /nfs/dbraw/zinc/30/99/43/796309943.db2.gz KEECAICVKHDWLK-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185761564 796311590 /nfs/dbraw/zinc/31/15/90/796311590.db2.gz HSTLRNXXMFCXRT-HIFRSBDPSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028400 796515101 /nfs/dbraw/zinc/51/51/01/796515101.db2.gz NJOCXMLELXFAPA-HUUCEWRRSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCC)C2)CC1 ZINC001188092214 796625784 /nfs/dbraw/zinc/62/57/84/796625784.db2.gz QZWRJXWZDRVFON-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149209 796938947 /nfs/dbraw/zinc/93/89/47/796938947.db2.gz URLJGLUXVLBIRI-OKZBNKHCSA-N 2 0 321.509 2.441 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149210 796939452 /nfs/dbraw/zinc/93/94/52/796939452.db2.gz URLJGLUXVLBIRI-RCCFBDPRSA-N 2 0 321.509 2.441 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671001 797428415 /nfs/dbraw/zinc/42/84/15/797428415.db2.gz DKKGWACKFKGWBQ-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275753 797697213 /nfs/dbraw/zinc/69/72/13/797697213.db2.gz YFGGXVCSGIGYES-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246900 797699599 /nfs/dbraw/zinc/69/95/99/797699599.db2.gz SSGGJEPXIZWYQT-KRWDZBQOSA-N 2 0 315.461 2.471 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621836 797807400 /nfs/dbraw/zinc/80/74/00/797807400.db2.gz PPJPOMNKQYFVJH-IAGOWNOFSA-N 2 0 307.482 2.099 20 30 DEEDRP C[N@@H+]1CCC[C@H](CCNc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001156381990 797988947 /nfs/dbraw/zinc/98/89/47/797988947.db2.gz YZHDNKYTPQKLEG-CQSZACIVSA-N 2 0 313.449 2.133 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158073525 798337335 /nfs/dbraw/zinc/33/73/35/798337335.db2.gz PBCSQYPMNJMLRG-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001158396528 798399739 /nfs/dbraw/zinc/39/97/39/798399739.db2.gz AGSHGRMKCKGITN-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158474228 798412790 /nfs/dbraw/zinc/41/27/90/798412790.db2.gz TWKUJKLACSQEJX-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914653 798489253 /nfs/dbraw/zinc/48/92/53/798489253.db2.gz QNSLAAJKRZSCDT-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838440 798616628 /nfs/dbraw/zinc/61/66/28/798616628.db2.gz MPLDSDJPUXSYNC-SJORKVTESA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577801 798652956 /nfs/dbraw/zinc/65/29/56/798652956.db2.gz HHSBIWZDXSVTRP-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200578165 798653099 /nfs/dbraw/zinc/65/30/99/798653099.db2.gz NEKPXMFPAFFBAD-RDJZCZTQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175237 798657964 /nfs/dbraw/zinc/65/79/64/798657964.db2.gz HYODEWOJXBUHME-NVXWUHKLSA-N 2 0 305.466 2.041 20 30 DEEDRP C#CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360646 798679128 /nfs/dbraw/zinc/67/91/28/798679128.db2.gz UFNHKSZIPONBRI-GOSISDBHSA-N 2 0 317.477 2.021 20 30 DEEDRP CNc1ccc(C#N)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201666775 798780854 /nfs/dbraw/zinc/78/08/54/798780854.db2.gz GBUYWVDLVZUUKM-UHFFFAOYSA-N 2 0 322.416 2.490 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161021634 798781799 /nfs/dbraw/zinc/78/17/99/798781799.db2.gz RZVTZMAIYHTXBW-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP Cc1nc(C#N)ccc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201655505 798785648 /nfs/dbraw/zinc/78/56/48/798785648.db2.gz PUHYCDCPLDBCLU-UHFFFAOYSA-N 2 0 308.389 2.152 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201840976 798803730 /nfs/dbraw/zinc/80/37/30/798803730.db2.gz WAHOIIFPPULCEX-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001161219501 798812644 /nfs/dbraw/zinc/81/26/44/798812644.db2.gz IHWFBSLPJJYADQ-UHFFFAOYSA-N 2 0 307.482 2.289 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202225088 798844485 /nfs/dbraw/zinc/84/44/85/798844485.db2.gz QOMQTNWKUZUSFP-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP N#Cc1cc(Cl)c(Cl)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162290248 799051455 /nfs/dbraw/zinc/05/14/55/799051455.db2.gz LKRGBUGWNHXOMD-UHFFFAOYSA-N 2 0 316.236 2.391 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163821757 799440547 /nfs/dbraw/zinc/44/05/47/799440547.db2.gz OZSJGJQBFFONFL-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP 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 799648202 /nfs/dbraw/zinc/64/82/02/799648202.db2.gz WNXHEWLZSRATCD-MHORFTMASA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165334038 799706936 /nfs/dbraw/zinc/70/69/36/799706936.db2.gz UWQXBNICFHVGIO-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111030815 799839015 /nfs/dbraw/zinc/83/90/15/799839015.db2.gz DYBCGHMXFNQGSQ-OAGGEKHMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001166407668 799867086 /nfs/dbraw/zinc/86/70/86/799867086.db2.gz APRMKCKEEUKLHD-KGLIPLIRSA-N 2 0 304.438 2.280 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633570 800095388 /nfs/dbraw/zinc/09/53/88/800095388.db2.gz ZFHZBQIWRJILKA-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1C#N ZINC001204372175 800209830 /nfs/dbraw/zinc/20/98/30/800209830.db2.gz YZIFYIJGHCZHTM-UHFFFAOYSA-N 2 0 302.466 2.264 20 30 DEEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1OC ZINC001205558101 800376959 /nfs/dbraw/zinc/37/69/59/800376959.db2.gz BVDKEQDLXRVPLH-SFHVURJKSA-N 2 0 320.408 2.360 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547534 800552772 /nfs/dbraw/zinc/55/27/72/800552772.db2.gz HIQGHBLNDNKYRJ-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952219 800640075 /nfs/dbraw/zinc/64/00/75/800640075.db2.gz DSQNWKYSSICFRR-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261185 800943952 /nfs/dbraw/zinc/94/39/52/800943952.db2.gz KGGSEQQYDMGSBZ-JKSUJKDBSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411115 800978453 /nfs/dbraw/zinc/97/84/53/800978453.db2.gz MRMQWWUGQGRDCQ-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677142 801045719 /nfs/dbraw/zinc/04/57/19/801045719.db2.gz VRDQMDVTQDYEPS-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262905 801378095 /nfs/dbraw/zinc/37/80/95/801378095.db2.gz XMRCGOKMBXLZSV-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591957 801430309 /nfs/dbraw/zinc/43/03/09/801430309.db2.gz NRQVMBQYSXSWPL-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240292 801535135 /nfs/dbraw/zinc/53/51/35/801535135.db2.gz IKSZZPRLTIAEBV-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211256382 801537081 /nfs/dbraw/zinc/53/70/81/801537081.db2.gz FDWKTPCVNBZRDD-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211257310 801537118 /nfs/dbraw/zinc/53/71/18/801537118.db2.gz QJOPJWYFIJBTST-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780068 801758071 /nfs/dbraw/zinc/75/80/71/801758071.db2.gz JLSNBNDDBAZCDP-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001215407689 801856820 /nfs/dbraw/zinc/85/68/20/801856820.db2.gz MQWQLAGSXVSILD-GDBMZVCRSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215558708 801877923 /nfs/dbraw/zinc/87/79/23/801877923.db2.gz ZACBWAPCQITMSR-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216324207 801962782 /nfs/dbraw/zinc/96/27/82/801962782.db2.gz QRCUCPITMKUOSK-KURKYZTESA-N 2 0 319.493 2.101 20 30 DEEDRP N#Cc1c2c(sc1NC(=O)c1ccc3c(c1)C[NH2+]C3)C[NH2+]CC2 ZINC001218556637 802205611 /nfs/dbraw/zinc/20/56/11/802205611.db2.gz VXEWIOVWKPUKDC-UHFFFAOYSA-N 2 0 324.409 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234344749 802358475 /nfs/dbraw/zinc/35/84/75/802358475.db2.gz CRKWVSHSTSPBKC-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016501 802632481 /nfs/dbraw/zinc/63/24/81/802632481.db2.gz NJGMZAJYSHCJBZ-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCCCCCCC[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222514946 802700077 /nfs/dbraw/zinc/70/00/77/802700077.db2.gz FFSNHIZQWYGRMC-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001223446647 802791095 /nfs/dbraw/zinc/79/10/95/802791095.db2.gz OHCAWKDICPILQT-FGTMMUONSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001223611080 802804113 /nfs/dbraw/zinc/80/41/13/802804113.db2.gz NPTCKBDTNTUOLM-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001223945531 802824988 /nfs/dbraw/zinc/82/49/88/802824988.db2.gz UUOVVKLNJJNRJZ-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225154559 802940246 /nfs/dbraw/zinc/94/02/46/802940246.db2.gz BHUZANBNBGUTEB-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001226765824 803155539 /nfs/dbraw/zinc/15/55/39/803155539.db2.gz FUXYODGAJWOCOI-KZNAEPCWSA-N 2 0 319.493 2.290 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226800258 803161631 /nfs/dbraw/zinc/16/16/31/803161631.db2.gz JAKYLWZIJBVVBZ-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227308470 803229434 /nfs/dbraw/zinc/22/94/34/803229434.db2.gz WYSUFGCZVODBPO-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227817923 803284127 /nfs/dbraw/zinc/28/41/27/803284127.db2.gz PDULCHPGRPLUHN-WMLDXEAASA-N 2 0 307.482 2.262 20 30 DEEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001331297434 1149413587 /nfs/dbraw/zinc/41/35/87/1149413587.db2.gz RLALZYQQSDDUBI-KRWDZBQOSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC001500087486 1058481337 /nfs/dbraw/zinc/48/13/37/1058481337.db2.gz APVHLOGJMKONNJ-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001500111553 1058497930 /nfs/dbraw/zinc/49/79/30/1058497930.db2.gz QRGZGRUTBNFULK-NVXWUHKLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001500505032 1058864691 /nfs/dbraw/zinc/86/46/91/1058864691.db2.gz HSIDFXGMTQECEO-QGZVFWFLSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001501396103 1059488783 /nfs/dbraw/zinc/48/87/83/1059488783.db2.gz SRLLIGOTUXXXJB-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C[NH+]1CCN(c2ccc(CC[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC001474759300 1060937050 /nfs/dbraw/zinc/93/70/50/1060937050.db2.gz HWZHEAYUEIKQFI-ZWKOTPCHSA-N 2 0 312.461 2.263 20 30 DEEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001505839578 1061021513 /nfs/dbraw/zinc/02/15/13/1061021513.db2.gz XQIDGXMGNVONLM-UHFFFAOYSA-N 2 0 315.461 2.069 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001479370662 1061419981 /nfs/dbraw/zinc/41/99/81/1061419981.db2.gz QKIHJGGKPQVYCE-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001506489110 1062036015 /nfs/dbraw/zinc/03/60/15/1062036015.db2.gz OHYQXZFXOCNCAQ-ZWKOTPCHSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001480141720 1062381613 /nfs/dbraw/zinc/38/16/13/1062381613.db2.gz WBKZZTDMBIJHER-HDJSIYSDSA-N 2 0 307.463 2.236 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001480150747 1062392839 /nfs/dbraw/zinc/39/28/39/1062392839.db2.gz JNMNVNMGVVJTOT-QAQDUYKDSA-N 2 0 315.461 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001480190211 1062442141 /nfs/dbraw/zinc/44/21/41/1062442141.db2.gz YIAKRDJHJSTTOD-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001506892451 1062478216 /nfs/dbraw/zinc/47/82/16/1062478216.db2.gz URWMABOXCZKIAJ-BQFCYCMXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001480334634 1062671936 /nfs/dbraw/zinc/67/19/36/1062671936.db2.gz GDVYKGGQBXSMLA-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001480362794 1062715508 /nfs/dbraw/zinc/71/55/08/1062715508.db2.gz MVQJVZPMOKJDAM-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480385893 1062771746 /nfs/dbraw/zinc/77/17/46/1062771746.db2.gz FSPJMRHLBOXTFB-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480738532 1063278114 /nfs/dbraw/zinc/27/81/14/1063278114.db2.gz GJOKZNPEJNPFBF-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001507969312 1063484460 /nfs/dbraw/zinc/48/44/60/1063484460.db2.gz GIZQGDFPWMNOHV-IRXDYDNUSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001508016056 1063495757 /nfs/dbraw/zinc/49/57/57/1063495757.db2.gz KYWBMMGWMKJVIE-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001493863414 1064000142 /nfs/dbraw/zinc/00/01/42/1064000142.db2.gz UVVZFSRQDZZIOP-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001494041543 1064098332 /nfs/dbraw/zinc/09/83/32/1064098332.db2.gz AYOAAOJBOVIVDG-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567419230 1064191971 /nfs/dbraw/zinc/19/19/71/1064191971.db2.gz KKOKSWDPAPYZLX-DLBZAZTESA-N 2 0 309.498 2.347 20 30 DEEDRP C=CCC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001567445475 1064203149 /nfs/dbraw/zinc/20/31/49/1064203149.db2.gz ZZQPUMIOZISHRA-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001567627691 1064289062 /nfs/dbraw/zinc/28/90/62/1064289062.db2.gz YENSUPQNEHGQNR-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001567628107 1064290041 /nfs/dbraw/zinc/29/00/41/1064290041.db2.gz JONBPKHJYPRDDM-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567830545 1064446858 /nfs/dbraw/zinc/44/68/58/1064446858.db2.gz SFYRTIJIJQHNMB-BHYGNILZSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567942163 1064545111 /nfs/dbraw/zinc/54/51/11/1064545111.db2.gz LFMZYVXYXAZWGQ-SJORKVTESA-N 2 0 307.482 2.053 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001568234942 1064720956 /nfs/dbraw/zinc/72/09/56/1064720956.db2.gz CINNRUDKSWZBHD-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001568331142 1064784118 /nfs/dbraw/zinc/78/41/18/1064784118.db2.gz MCLFHBWWKIQTFX-HNNXBMFYSA-N 2 0 312.417 2.010 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001568336167 1064787620 /nfs/dbraw/zinc/78/76/20/1064787620.db2.gz NVZDPIHVEOQTFR-QGZVFWFLSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[NH2+]C[C@]1(NC(=O)CCC[NH+](C)C)CCCC[C@@H]1C ZINC001495318811 1064828969 /nfs/dbraw/zinc/82/89/69/1064828969.db2.gz FUFITEZHZLMQLX-FUHWJXTLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001568408488 1064846379 /nfs/dbraw/zinc/84/63/79/1064846379.db2.gz AGZXTZIJFGKRDF-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001568424571 1064861076 /nfs/dbraw/zinc/86/10/76/1064861076.db2.gz SOJUAPHWOQAWBL-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569203160 1065363955 /nfs/dbraw/zinc/36/39/55/1065363955.db2.gz OCBLNFAHUOLLTQ-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569359569 1065455238 /nfs/dbraw/zinc/45/52/38/1065455238.db2.gz IIMMCTUWZVLTFV-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001569436388 1065505867 /nfs/dbraw/zinc/50/58/67/1065505867.db2.gz HPXHBNAZPWQMGU-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001569442592 1065510513 /nfs/dbraw/zinc/51/05/13/1065510513.db2.gz AFSGAUAUAQNXLU-XYTVBORESA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001569651635 1065651720 /nfs/dbraw/zinc/65/17/20/1065651720.db2.gz UHBYQGUZXZQFEN-GOSISDBHSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001569724531 1065691189 /nfs/dbraw/zinc/69/11/89/1065691189.db2.gz YWZIESWGELQEHM-OALUTQOASA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001496862567 1065761137 /nfs/dbraw/zinc/76/11/37/1065761137.db2.gz KGEUWMFWPGSZHB-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001496906107 1065793733 /nfs/dbraw/zinc/79/37/33/1065793733.db2.gz BJTMKJDIAYZLDF-QZTJIDSGSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001570119727 1065932345 /nfs/dbraw/zinc/93/23/45/1065932345.db2.gz KBKFEHCGEYPWEI-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001570212039 1065974175 /nfs/dbraw/zinc/97/41/75/1065974175.db2.gz QHAADVSUEXWWNG-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001570346965 1066023982 /nfs/dbraw/zinc/02/39/82/1066023982.db2.gz RMPXPPQVEZHYOS-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+]CCN(CC)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001497483356 1066112011 /nfs/dbraw/zinc/11/20/11/1066112011.db2.gz WUCSTDVXHSGNPU-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497712199 1066256788 /nfs/dbraw/zinc/25/67/88/1066256788.db2.gz CRDLXIIKFYGABD-AATRIKPKSA-N 2 0 307.482 2.335 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498488548 1066740619 /nfs/dbraw/zinc/74/06/19/1066740619.db2.gz IHIKJSKGYQJVTG-CVEARBPZSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498488550 1066740792 /nfs/dbraw/zinc/74/07/92/1066740792.db2.gz IHIKJSKGYQJVTG-HOTGVXAUSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001499523093 1067245214 /nfs/dbraw/zinc/24/52/14/1067245214.db2.gz ZMTUICNUPRKWTA-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001499771313 1067329047 /nfs/dbraw/zinc/32/90/47/1067329047.db2.gz RVCFHNRNXRIOTO-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267026159 1078511201 /nfs/dbraw/zinc/51/12/01/1078511201.db2.gz HYKYZFVYBUIACB-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267045157 1078524841 /nfs/dbraw/zinc/52/48/41/1078524841.db2.gz NNBOKRXIMQNDRE-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C#N)c1C ZINC001579934429 1067456701 /nfs/dbraw/zinc/45/67/01/1067456701.db2.gz SEHNMJDDMZXTCV-ZWNOBZJWSA-N 2 0 320.462 2.092 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001483565004 1078600840 /nfs/dbraw/zinc/60/08/40/1078600840.db2.gz ANHKYHFSJJEADQ-ZWKOTPCHSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570550595 1068000980 /nfs/dbraw/zinc/00/09/80/1068000980.db2.gz BHTQUVOTAVDNGK-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001570834709 1068133894 /nfs/dbraw/zinc/13/38/94/1068133894.db2.gz HGCVBLWOXIZWFX-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001571017377 1068174068 /nfs/dbraw/zinc/17/40/68/1068174068.db2.gz ZBKZLZQLPWPGPS-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001571049477 1068176864 /nfs/dbraw/zinc/17/68/64/1068176864.db2.gz UTIDATBQRZNKHM-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001571467704 1068319204 /nfs/dbraw/zinc/31/92/04/1068319204.db2.gz PLFHPTIHLKRIIA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001571492551 1068349346 /nfs/dbraw/zinc/34/93/46/1068349346.db2.gz FWDYFLCHIGUBGW-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001571565296 1068423695 /nfs/dbraw/zinc/42/36/95/1068423695.db2.gz WBWLMFQAZKSMNE-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001571568826 1068425143 /nfs/dbraw/zinc/42/51/43/1068425143.db2.gz RDPFZVTZKHDXHP-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001267328092 1078767742 /nfs/dbraw/zinc/76/77/42/1078767742.db2.gz KUKASYOJLGSABN-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267466864 1078880379 /nfs/dbraw/zinc/88/03/79/1078880379.db2.gz SEZISVNFBJYENC-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(Cl)C[C@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)OCC ZINC001574860486 1069279711 /nfs/dbraw/zinc/27/97/11/1069279711.db2.gz PJMZZLRGZXOTHK-GSPSYOTPSA-N 2 0 300.830 2.181 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001267488303 1078914025 /nfs/dbraw/zinc/91/40/25/1078914025.db2.gz ITGOIVICSQIDSP-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC001544106186 1072517979 /nfs/dbraw/zinc/51/79/79/1072517979.db2.gz VZXZRCXLDKNMIL-UHFFFAOYSA-N 2 0 319.449 2.464 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267566557 1079000346 /nfs/dbraw/zinc/00/03/46/1079000346.db2.gz GGSYRIKZIRRISN-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001649448956 1079124683 /nfs/dbraw/zinc/12/46/83/1079124683.db2.gz HFIYURRLBOZCRW-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001566129400 1075234206 /nfs/dbraw/zinc/23/42/06/1075234206.db2.gz FRAYNEKLHSGADI-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267689275 1079376433 /nfs/dbraw/zinc/37/64/33/1079376433.db2.gz CWCDEWVDNNEQHD-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001566601055 1075294247 /nfs/dbraw/zinc/29/42/47/1075294247.db2.gz VIFSBCXYYOFHFJ-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955382 1075398838 /nfs/dbraw/zinc/39/88/38/1075398838.db2.gz LTVMFILLBCJNTL-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001567016311 1075416524 /nfs/dbraw/zinc/41/65/24/1075416524.db2.gz FFGOSPJEJSOQAD-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567144935 1075444202 /nfs/dbraw/zinc/44/42/02/1075444202.db2.gz GBFSHLWTDHKEGD-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567167894 1075450796 /nfs/dbraw/zinc/45/07/96/1075450796.db2.gz RIOARYLMMHBZTL-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001267845570 1079536305 /nfs/dbraw/zinc/53/63/05/1079536305.db2.gz WQPHLPYWRQBQFI-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267896917 1079583022 /nfs/dbraw/zinc/58/30/22/1079583022.db2.gz GYATYYWYOYQNCJ-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001484411105 1079597208 /nfs/dbraw/zinc/59/72/08/1079597208.db2.gz YZMBJUXCQIUDAW-ZACQAIPSSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001267944771 1079624161 /nfs/dbraw/zinc/62/41/61/1079624161.db2.gz LENGPFBGXMKKRX-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001484574592 1079667375 /nfs/dbraw/zinc/66/73/75/1079667375.db2.gz GRBIGOHHIAHKPG-BRSBDYLESA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001481350704 1079744185 /nfs/dbraw/zinc/74/41/85/1079744185.db2.gz POLHPHAJGNVRQB-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001481350440 1079744856 /nfs/dbraw/zinc/74/48/56/1079744856.db2.gz KRHHVQXJHOFMMP-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485033303 1079930134 /nfs/dbraw/zinc/93/01/34/1079930134.db2.gz CNCASAKAXKJREL-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001485067180 1079944472 /nfs/dbraw/zinc/94/44/72/1079944472.db2.gz IZMWMCCRRNOFST-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268082322 1080036319 /nfs/dbraw/zinc/03/63/19/1080036319.db2.gz VWSPWUUVMQKKHP-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001656198559 1080063391 /nfs/dbraw/zinc/06/33/91/1080063391.db2.gz VRWNMNQBHCTJBZ-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254043 1080072575 /nfs/dbraw/zinc/07/25/75/1080072575.db2.gz OWVZFGPYKUVPCN-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001268155968 1080129901 /nfs/dbraw/zinc/12/99/01/1080129901.db2.gz ZDWJLLRHKFAJGT-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001268169961 1080158114 /nfs/dbraw/zinc/15/81/14/1080158114.db2.gz QJMQWYZNWYYIRG-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001268196826 1080185478 /nfs/dbraw/zinc/18/54/78/1080185478.db2.gz FPWPGAMNSXIGDQ-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485463552 1080231181 /nfs/dbraw/zinc/23/11/81/1080231181.db2.gz NUYUBYSTKWXWKY-RBSFLKMASA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485585257 1080314879 /nfs/dbraw/zinc/31/48/79/1080314879.db2.gz KSBJQQHSYUQUPV-JKSUJKDBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001485628821 1080340990 /nfs/dbraw/zinc/34/09/90/1080340990.db2.gz MYECVVULCCJCGW-ZJPYXAASSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001660740058 1080390073 /nfs/dbraw/zinc/39/00/73/1080390073.db2.gz TUHOQWMLADTAPX-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481742458 1080421222 /nfs/dbraw/zinc/42/12/22/1080421222.db2.gz DOHZRHDBCPKZPA-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661216476 1080459009 /nfs/dbraw/zinc/45/90/09/1080459009.db2.gz QTCCXLCBLLZVMH-DLBZAZTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661598523 1080498745 /nfs/dbraw/zinc/49/87/45/1080498745.db2.gz YCHCOJBQUREPRH-WCXIOVBPSA-N 2 0 307.482 2.451 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001662424271 1080607741 /nfs/dbraw/zinc/60/77/41/1080607741.db2.gz KDUSFTJUDQCVBI-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001482018478 1080690907 /nfs/dbraw/zinc/69/09/07/1080690907.db2.gz KPDGFIMJPYCWDP-WKILWMFISA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001663067801 1080695574 /nfs/dbraw/zinc/69/55/74/1080695574.db2.gz XRLXYBCFLKWKNY-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001665596993 1081044571 /nfs/dbraw/zinc/04/45/71/1081044571.db2.gz AXHNYOQLMYSIRF-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001665872011 1081092026 /nfs/dbraw/zinc/09/20/26/1081092026.db2.gz MYVWIIMESCHNCK-QGZVFWFLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001666314657 1081143142 /nfs/dbraw/zinc/14/31/42/1081143142.db2.gz JTWNAFSHEIFNOZ-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001667401508 1081248057 /nfs/dbraw/zinc/24/80/57/1081248057.db2.gz VWNHPJKDQQIWDB-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001667498152 1081258455 /nfs/dbraw/zinc/25/84/55/1081258455.db2.gz IORSDEWXCSBIGJ-IAGOWNOFSA-N 2 0 307.482 2.003 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222460 1081259908 /nfs/dbraw/zinc/25/99/08/1081259908.db2.gz LRBKJSKSPAYODY-HOTGVXAUSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001269489274 1081263671 /nfs/dbraw/zinc/26/36/71/1081263671.db2.gz LVCMKTOFVBTHLZ-QGZVFWFLSA-N 2 0 311.445 2.013 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001668455035 1081357075 /nfs/dbraw/zinc/35/70/75/1081357075.db2.gz HGVNNGFKOFAVOP-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001669482239 1081452623 /nfs/dbraw/zinc/45/26/23/1081452623.db2.gz IXJRQNUZENIHFS-MRXNPFEDSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001669645182 1081461169 /nfs/dbraw/zinc/46/11/69/1081461169.db2.gz PUPOVKSAHAEFJC-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001270369185 1081511336 /nfs/dbraw/zinc/51/13/36/1081511336.db2.gz MPOLSMTYOGYNLS-LJQANCHMSA-N 2 0 323.440 2.172 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001672315326 1081582963 /nfs/dbraw/zinc/58/29/63/1081582963.db2.gz KENUHARKEBJPOA-JKSUJKDBSA-N 2 0 309.498 2.225 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001672814990 1081629356 /nfs/dbraw/zinc/62/93/56/1081629356.db2.gz CLAVMUCAIOUAGJ-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001270784828 1081712019 /nfs/dbraw/zinc/71/20/19/1081712019.db2.gz FZLPJWHREPFQKE-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001482400795 1081792810 /nfs/dbraw/zinc/79/28/10/1081792810.db2.gz QLHOFMMDZXINRZ-MSOLQXFVSA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271007183 1081873395 /nfs/dbraw/zinc/87/33/95/1081873395.db2.gz KITAVQDALPGEED-FUHWJXTLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001271021974 1081878395 /nfs/dbraw/zinc/87/83/95/1081878395.db2.gz XJCDXLPCSKPRRE-CYBMUJFWSA-N 2 0 300.406 2.269 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001271021106 1081879271 /nfs/dbraw/zinc/87/92/71/1081879271.db2.gz IOOVLGFRPTUEQU-OAHLLOKOSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482451248 1081889008 /nfs/dbraw/zinc/88/90/08/1081889008.db2.gz STHCWQJUKIXZIB-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001271052395 1081889349 /nfs/dbraw/zinc/88/93/49/1081889349.db2.gz ULHVPBYBCWTLCY-INIZCTEOSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCC[NH+]1CCCC1 ZINC001266247505 1081915631 /nfs/dbraw/zinc/91/56/31/1081915631.db2.gz NAKFMORQWFSODA-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251638 1081916752 /nfs/dbraw/zinc/91/67/52/1081916752.db2.gz DTNNUOAYKIEJPF-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC/C=C/CC ZINC001266468383 1082056345 /nfs/dbraw/zinc/05/63/45/1082056345.db2.gz PDTSCSMJSZLBBO-VGRIIWOTSA-N 2 0 317.477 2.021 20 30 DEEDRP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001271790160 1082155284 /nfs/dbraw/zinc/15/52/84/1082155284.db2.gz HHUHJDJWSGDQAO-SFHVURJKSA-N 2 0 321.509 2.156 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001271907188 1082188759 /nfs/dbraw/zinc/18/87/59/1082188759.db2.gz CBJLGUMJQOLMIW-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001271954297 1082206617 /nfs/dbraw/zinc/20/66/17/1082206617.db2.gz VEBPDXDGAQKYJT-FUHWJXTLSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001266617670 1082219931 /nfs/dbraw/zinc/21/99/31/1082219931.db2.gz SCBGIOYXXQFPQX-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266663230 1082257426 /nfs/dbraw/zinc/25/74/26/1082257426.db2.gz MACCQBQKZYIJJC-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001272075690 1082399964 /nfs/dbraw/zinc/39/99/64/1082399964.db2.gz MYKPKWPZUABXOT-UHFFFAOYSA-N 2 0 317.477 2.371 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266913657 1082450012 /nfs/dbraw/zinc/45/00/12/1082450012.db2.gz NRKZBJBJLOUFAI-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001482686407 1082483505 /nfs/dbraw/zinc/48/35/05/1082483505.db2.gz JVCWYDQOJGZLGX-CVEARBPZSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001482954846 1082575984 /nfs/dbraw/zinc/57/59/84/1082575984.db2.gz QMBHMWOTAQTLRI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954843 1082576029 /nfs/dbraw/zinc/57/60/29/1082576029.db2.gz QMBHMWOTAQTLRI-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436861 1083394037 /nfs/dbraw/zinc/39/40/37/1083394037.db2.gz VHHDUUCIGWBIQX-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001276839594 1083640498 /nfs/dbraw/zinc/64/04/98/1083640498.db2.gz KQEMCDAZUDDWKU-OKZBNKHCSA-N 2 0 319.493 2.265 20 30 DEEDRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnn4ccc(C#N)cc34)(C1)CCC2 ZINC001277417136 1083959665 /nfs/dbraw/zinc/95/96/65/1083959665.db2.gz VFQZTQHFDKNVKP-ZWKOTPCHSA-N 2 0 309.417 2.360 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491153403 1084113408 /nfs/dbraw/zinc/11/34/08/1084113408.db2.gz KSUPBHXGBTUPKR-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001670939285 1084157410 /nfs/dbraw/zinc/15/74/10/1084157410.db2.gz BXYKLEBSGOMNHZ-ALOPSCKCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001277835127 1084167716 /nfs/dbraw/zinc/16/77/16/1084167716.db2.gz IFXQJSSBVXNHBR-CYBMUJFWSA-N 2 0 309.479 2.436 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001670965489 1084173539 /nfs/dbraw/zinc/17/35/39/1084173539.db2.gz YJJVFEYKDHQMCD-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC=C(C)C ZINC001491252438 1084183133 /nfs/dbraw/zinc/18/31/33/1084183133.db2.gz OBUMBYQINZPOIF-MSOLQXFVSA-N 2 0 317.477 2.021 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001491260572 1084188870 /nfs/dbraw/zinc/18/88/70/1084188870.db2.gz ROQJNEGHUGNIQH-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCc2c(CNC(=O)C[N@@H+](C)C(C)C)cccc2C1 ZINC001272916642 1084469735 /nfs/dbraw/zinc/46/97/35/1084469735.db2.gz FJCFEHZWXIZOEF-UHFFFAOYSA-N 2 0 315.461 2.187 20 30 DEEDRP N#Cc1ccc(N2CC[NH+](CC3CC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001235694808 1084501489 /nfs/dbraw/zinc/50/14/89/1084501489.db2.gz VFEOGFVILKVXKK-UHFFFAOYSA-N 2 0 324.472 2.460 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078668948 1084802694 /nfs/dbraw/zinc/80/26/94/1084802694.db2.gz ULPZQZXLCQTXTH-CVEARBPZSA-N 2 0 317.477 2.208 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181952 1085110000 /nfs/dbraw/zinc/11/00/00/1085110000.db2.gz WBEZPJAPZYUICM-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001486437879 1085313562 /nfs/dbraw/zinc/31/35/62/1085313562.db2.gz MVTPVDVCHBOBNB-GDBMZVCRSA-N 2 0 313.461 2.069 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128553787 1086230164 /nfs/dbraw/zinc/23/01/64/1086230164.db2.gz ZFWPEHIQNUVMCF-CYBMUJFWSA-N 2 0 309.479 2.484 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC000957606100 1088452478 /nfs/dbraw/zinc/45/24/78/1088452478.db2.gz ZIPKXKZGBHDQFL-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957644807 1088492858 /nfs/dbraw/zinc/49/28/58/1088492858.db2.gz IQOCUYIFUBQRQM-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081025999 1089285662 /nfs/dbraw/zinc/28/56/62/1089285662.db2.gz IMMGRPAKGNVZGC-GDBMZVCRSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001082852104 1090090070 /nfs/dbraw/zinc/09/00/70/1090090070.db2.gz TYZDEXQVBYGGMO-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084599741 1090342988 /nfs/dbraw/zinc/34/29/88/1090342988.db2.gz WUORQLXUCJCBKX-KZNAEPCWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001084852934 1090476536 /nfs/dbraw/zinc/47/65/36/1090476536.db2.gz UFSSWOHSRZZOMH-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010132 1090620754 /nfs/dbraw/zinc/62/07/54/1090620754.db2.gz NLHNSROELYEBDZ-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001274434111 1091241330 /nfs/dbraw/zinc/24/13/30/1091241330.db2.gz BIYQYOGFXDZJHK-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275042358 1091528152 /nfs/dbraw/zinc/52/81/52/1091528152.db2.gz IKPYNYMIGZHEOR-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001275183234 1091605251 /nfs/dbraw/zinc/60/52/51/1091605251.db2.gz DIPCVWYHNYUCPM-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001276261442 1091752851 /nfs/dbraw/zinc/75/28/51/1091752851.db2.gz GYKJZEQQYURNNF-ULQDDVLXSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001273447355 1091767152 /nfs/dbraw/zinc/76/71/52/1091767152.db2.gz WNGYAMIJGGRWTM-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001273459176 1091788872 /nfs/dbraw/zinc/78/88/72/1091788872.db2.gz ZNLUCFSJARJFQG-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001273559880 1091922455 /nfs/dbraw/zinc/92/24/55/1091922455.db2.gz FODLDYRUQFWQSV-QGZVFWFLSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001275928019 1092332238 /nfs/dbraw/zinc/33/22/38/1092332238.db2.gz CDJWJMUKXKHVQC-ZBFHGGJFSA-N 2 0 318.465 2.157 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001489118971 1092929290 /nfs/dbraw/zinc/92/92/90/1092929290.db2.gz UKRMQMKFKABKAZ-HRCADAONSA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001489327404 1093020984 /nfs/dbraw/zinc/02/09/84/1093020984.db2.gz ZKYNNKOIRVBILG-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)CN(C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001490282398 1093274686 /nfs/dbraw/zinc/27/46/86/1093274686.db2.gz VTGZYIDPURYQKS-HNNXBMFYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001490409512 1093368039 /nfs/dbraw/zinc/36/80/39/1093368039.db2.gz LNHUBJUPLKUJDU-INIZCTEOSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001490611555 1093445364 /nfs/dbraw/zinc/44/53/64/1093445364.db2.gz XDLHRPNCIPCHLI-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001490700553 1093493313 /nfs/dbraw/zinc/49/33/13/1093493313.db2.gz UIYFTHUQURATAR-ROUUACIJSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691727594 1138215175 /nfs/dbraw/zinc/21/51/75/1138215175.db2.gz LIBFINLBWVBYBQ-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001278004938 1138405313 /nfs/dbraw/zinc/40/53/13/1138405313.db2.gz HVIGIHBDESYENI-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP CCCCCCC[C@H](C)NC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239252533 1139003647 /nfs/dbraw/zinc/00/36/47/1139003647.db2.gz FYLFLQIKTLJGBF-HNNXBMFYSA-N 2 0 300.491 2.363 20 30 DEEDRP N#Cc1cc(-c2c[nH+]ccc2N2CCOCC2)cc(C2C[NH2+]C2)c1 ZINC001240351021 1139344239 /nfs/dbraw/zinc/34/42/39/1139344239.db2.gz JWRKJEMMNPKHIJ-UHFFFAOYSA-N 2 0 320.396 2.144 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318445551 1140331792 /nfs/dbraw/zinc/33/17/92/1140331792.db2.gz NBCLFJJDEXKYPK-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318823338 1140427618 /nfs/dbraw/zinc/42/76/18/1140427618.db2.gz VQXOBPZFUFQJHH-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001319008341 1140489911 /nfs/dbraw/zinc/48/99/11/1140489911.db2.gz BGRMTVQBTNTWJV-SFHVURJKSA-N 2 0 315.461 2.310 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001319020512 1140492216 /nfs/dbraw/zinc/49/22/16/1140492216.db2.gz FHMXLCBBBGGAFS-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001319131896 1140510856 /nfs/dbraw/zinc/51/08/56/1140510856.db2.gz BRKJGNGXKGYIEA-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001246003009 1140845061 /nfs/dbraw/zinc/84/50/61/1140845061.db2.gz WPHMZYIYDMKTQW-CRAIPNDOSA-N 2 0 322.424 2.020 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019838 1140847623 /nfs/dbraw/zinc/84/76/23/1140847623.db2.gz ATEPDJTWKZZLRR-SQNIBIBYSA-N 2 0 311.514 2.124 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024267 1140849205 /nfs/dbraw/zinc/84/92/05/1140849205.db2.gz HDLGVFAUGWMFKU-KZNAEPCWSA-N 2 0 312.498 2.408 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246304751 1140882966 /nfs/dbraw/zinc/88/29/66/1140882966.db2.gz LHMHOVMMKUFLPO-OAHLLOKOSA-N 2 0 315.417 2.101 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246403655 1140894828 /nfs/dbraw/zinc/89/48/28/1140894828.db2.gz HXBBUIHNLHLEIQ-OKZBNKHCSA-N 2 0 316.424 2.100 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[N@H+](C)CC(C)(C)C ZINC001320839974 1140947969 /nfs/dbraw/zinc/94/79/69/1140947969.db2.gz GORXPCSFTCGMLL-UHFFFAOYSA-N 2 0 303.878 2.155 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278468088 1141080196 /nfs/dbraw/zinc/08/01/96/1141080196.db2.gz XGZNPHROCXCUIJ-SOLBZPMBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001278487123 1141364290 /nfs/dbraw/zinc/36/42/90/1141364290.db2.gz LTCMYWODJXUZMY-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001278495855 1141647041 /nfs/dbraw/zinc/64/70/41/1141647041.db2.gz WLOCNCWWNXEDAQ-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001278496204 1141651353 /nfs/dbraw/zinc/65/13/53/1141651353.db2.gz YNFIHHUURUMKGU-IXDOHACOSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001322662320 1141670494 /nfs/dbraw/zinc/67/04/94/1141670494.db2.gz OCVHFHZKSGOYRD-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001278504806 1141780080 /nfs/dbraw/zinc/78/00/80/1141780080.db2.gz NSXOEEDAMIAZGW-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001323722649 1141880977 /nfs/dbraw/zinc/88/09/77/1141880977.db2.gz QXQSJEZHRDOOJW-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001324439482 1142076739 /nfs/dbraw/zinc/07/67/39/1142076739.db2.gz JDQNDBFCXGDZEB-KRWDZBQOSA-N 2 0 321.509 2.301 20 30 DEEDRP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001324440251 1142078256 /nfs/dbraw/zinc/07/82/56/1142078256.db2.gz CARVDYJXUBRUQF-UHFFFAOYSA-N 2 0 321.509 2.299 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC001324498805 1142088971 /nfs/dbraw/zinc/08/89/71/1142088971.db2.gz XKVKGPJJUKBVMF-QGZVFWFLSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CC1(C)C ZINC001278646073 1142651542 /nfs/dbraw/zinc/65/15/42/1142651542.db2.gz XUPZETORLOTRTD-HUUCEWRRSA-N 2 0 313.461 2.069 20 30 DEEDRP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001278673805 1142774120 /nfs/dbraw/zinc/77/41/20/1142774120.db2.gz VWIUQVXCRNOPFH-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001278963064 1143866482 /nfs/dbraw/zinc/86/64/82/1143866482.db2.gz WHLYRHWQKWFQOT-HOTGVXAUSA-N 2 0 307.482 2.003 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001279097729 1144004868 /nfs/dbraw/zinc/00/48/68/1144004868.db2.gz UEGWTZPAFQJBSS-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263170020 1144359176 /nfs/dbraw/zinc/35/91/76/1144359176.db2.gz FPMLOXZPCWWMLV-MSOLQXFVSA-N 2 0 315.461 2.308 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001263957475 1144432373 /nfs/dbraw/zinc/43/23/73/1144432373.db2.gz DXMPKCOUUWMERT-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001264550835 1144564186 /nfs/dbraw/zinc/56/41/86/1144564186.db2.gz MADZYMQUBLMJEZ-WCXIOVBPSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001264656014 1144586549 /nfs/dbraw/zinc/58/65/49/1144586549.db2.gz XJUQTFSCZOZRPV-KSZLIROESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264677530 1144591259 /nfs/dbraw/zinc/59/12/59/1144591259.db2.gz CHCCIUDGFPIDCG-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001264751263 1144605773 /nfs/dbraw/zinc/60/57/73/1144605773.db2.gz DPAWKEOQPJWEMO-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001265334499 1144695309 /nfs/dbraw/zinc/69/53/09/1144695309.db2.gz SLRFNTPNAFAZPI-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001265370119 1144699099 /nfs/dbraw/zinc/69/90/99/1144699099.db2.gz KSUXPIPIBMIVEH-PBHICJAKSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001265697168 1144729582 /nfs/dbraw/zinc/72/95/82/1144729582.db2.gz PCXOSJLRGMCJGI-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266010687 1144784804 /nfs/dbraw/zinc/78/48/04/1144784804.db2.gz MAJHAMKVTJSPPV-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266023283 1144791883 /nfs/dbraw/zinc/79/18/83/1144791883.db2.gz IWXMFVMYTLEZBB-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266183664 1144812189 /nfs/dbraw/zinc/81/21/89/1144812189.db2.gz MAWQXDBBLBLCIQ-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]cn1 ZINC001279567851 1144824754 /nfs/dbraw/zinc/82/47/54/1144824754.db2.gz ZVAOTSGXRMBQTC-DLBZAZTESA-N 2 0 316.449 2.374 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001280095589 1144831993 /nfs/dbraw/zinc/83/19/93/1144831993.db2.gz RDAJRRAMHPYWEB-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001280356299 1144836538 /nfs/dbraw/zinc/83/65/38/1144836538.db2.gz CDCYFPIETONWPN-QAPCUYQASA-N 2 0 315.461 2.481 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001281102056 1144871566 /nfs/dbraw/zinc/87/15/66/1144871566.db2.gz ZBMNADRNXXFQFW-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001281840821 1144915997 /nfs/dbraw/zinc/91/59/97/1144915997.db2.gz RKFGYWHOCCZAPZ-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001282607721 1145096093 /nfs/dbraw/zinc/09/60/93/1145096093.db2.gz RLKHXUWRXIBFLK-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001282716232 1145142210 /nfs/dbraw/zinc/14/22/10/1145142210.db2.gz HZRGHWSYYDIYIA-HUUCEWRRSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001283463031 1145446827 /nfs/dbraw/zinc/44/68/27/1145446827.db2.gz LYHZGRZQNUUAAQ-QGZVFWFLSA-N 2 0 309.498 2.415 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CCCC)C(C)C)CC1 ZINC001332740417 1145704360 /nfs/dbraw/zinc/70/43/60/1145704360.db2.gz JYCQJDUIJIDJDH-UHFFFAOYSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001284058069 1145778413 /nfs/dbraw/zinc/77/84/13/1145778413.db2.gz PDJQKCGFMZIZMA-SOLBZPMBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001284349308 1145840965 /nfs/dbraw/zinc/84/09/65/1145840965.db2.gz XOFAPMCAWSYWEP-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316877351 1147619238 /nfs/dbraw/zinc/61/92/38/1147619238.db2.gz JXTRXKBDBPNTID-IRXDYDNUSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001316925505 1147632980 /nfs/dbraw/zinc/63/29/80/1147632980.db2.gz RPJGIEBGAIIOSP-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317006686 1147647489 /nfs/dbraw/zinc/64/74/89/1147647489.db2.gz LNUSWRXFMXKKME-INIZCTEOSA-N 2 0 317.477 2.019 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367099340 1147649687 /nfs/dbraw/zinc/64/96/87/1147649687.db2.gz WZUWRISRZGPXSR-AWEZNQCLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001317031891 1147650417 /nfs/dbraw/zinc/65/04/17/1147650417.db2.gz ZYBNNOBXKHXXAD-KRWDZBQOSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317139870 1147665492 /nfs/dbraw/zinc/66/54/92/1147665492.db2.gz LQPKWOVYJDZOSW-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317150165 1147666858 /nfs/dbraw/zinc/66/68/58/1147666858.db2.gz AQDUIXOGIDTROE-OAHLLOKOSA-N 2 0 312.417 2.271 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001317171433 1147670524 /nfs/dbraw/zinc/67/05/24/1147670524.db2.gz AVHNEQTYBRWIFP-HZPDHXFCSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317205022 1147676725 /nfs/dbraw/zinc/67/67/25/1147676725.db2.gz OTKLNPDYFPJMNU-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367390038 1147687816 /nfs/dbraw/zinc/68/78/16/1147687816.db2.gz YSWFILVNUQJGLV-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367762158 1147739205 /nfs/dbraw/zinc/73/92/05/1147739205.db2.gz YLFUCEOSZVDEPT-WFASDCNBSA-N 2 0 319.852 2.046 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317721012 1147747143 /nfs/dbraw/zinc/74/71/43/1147747143.db2.gz QTGDFYUUHUWOQC-MSOLQXFVSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001317723397 1147747295 /nfs/dbraw/zinc/74/72/95/1147747295.db2.gz GNHOHVSAXHGBFG-FUHWJXTLSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC001324746266 1147839278 /nfs/dbraw/zinc/83/92/78/1147839278.db2.gz AAQWTPPYNSNAGV-INIZCTEOSA-N 2 0 303.406 2.148 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001324897600 1147856580 /nfs/dbraw/zinc/85/65/80/1147856580.db2.gz PGKMJIJAVIBPKO-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181491919 199305922 /nfs/dbraw/zinc/30/59/22/199305922.db2.gz YHFQUAYJUGUYFI-MRXNPFEDSA-N 2 0 300.450 2.236 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000186060697 186236848 /nfs/dbraw/zinc/23/68/48/186236848.db2.gz XGPSKVZGXPADOU-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP COCCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000066244559 354705748 /nfs/dbraw/zinc/70/57/48/354705748.db2.gz LOHUBGLXFKMNDE-QGZVFWFLSA-N 2 0 318.465 2.010 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181500966 356083665 /nfs/dbraw/zinc/08/36/65/356083665.db2.gz XMKIEHLZOZNWER-JKSUJKDBSA-N 2 0 300.450 2.235 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662689121 540333631 /nfs/dbraw/zinc/33/36/31/540333631.db2.gz DYRDWVDQPDADDI-IEBWSBKVSA-N 2 0 315.461 2.412 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCC[NH2+]1 ZINC000662689615 540333869 /nfs/dbraw/zinc/33/38/69/540333869.db2.gz UWEGLBQDZILQQC-SFHVURJKSA-N 2 0 307.482 2.265 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+]CC3CC[NH2+]CC3)CC2)c1 ZINC000593319908 358053818 /nfs/dbraw/zinc/05/38/18/358053818.db2.gz GBIWXICHDSZSGL-UHFFFAOYSA-N 2 0 312.461 2.112 20 30 DEEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180998749 199238701 /nfs/dbraw/zinc/23/87/01/199238701.db2.gz QNMHNCWHJBCZPQ-FQEVSTJZSA-N 2 0 321.424 2.415 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C#N)s3)c2)CC1 ZINC000601069423 359911755 /nfs/dbraw/zinc/91/17/55/359911755.db2.gz UVIBBZXXWLDZIL-UHFFFAOYSA-N 2 0 313.430 2.379 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000602563712 360434996 /nfs/dbraw/zinc/43/49/96/360434996.db2.gz HEZXAIQWXPDESJ-OAHLLOKOSA-N 2 0 322.497 2.143 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)CCC#N)CC2)CC1 ZINC000602699046 360504993 /nfs/dbraw/zinc/50/49/93/360504993.db2.gz PUIVJUANUQECQG-QGZVFWFLSA-N 2 0 306.498 2.418 20 30 DEEDRP Cc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1C#N ZINC000443990309 238134200 /nfs/dbraw/zinc/13/42/00/238134200.db2.gz NSRZFTMHARGVCI-IBGZPJMESA-N 2 0 314.477 2.228 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448626 781943112 /nfs/dbraw/zinc/94/31/12/781943112.db2.gz CPKIEXSNRITHNF-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271808001 209234222 /nfs/dbraw/zinc/23/42/22/209234222.db2.gz AFQDQYWQDQYNJF-MRXNPFEDSA-N 2 0 314.477 2.452 20 30 DEEDRP C#CCCOc1ccc(C[NH2+]CCC[N@@H+](C)CCOC)cc1 ZINC000264952107 204299028 /nfs/dbraw/zinc/29/90/28/204299028.db2.gz KVJRQIRWPHMPFQ-UHFFFAOYSA-N 2 0 304.434 2.147 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CSC)c1 ZINC000187852510 285284426 /nfs/dbraw/zinc/28/44/26/285284426.db2.gz RZNVQNZOPSFGRQ-INIZCTEOSA-N 2 0 320.506 2.438 20 30 DEEDRP COCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000264080595 533339644 /nfs/dbraw/zinc/33/96/44/533339644.db2.gz IGKKHQGGSRNVBW-OAHLLOKOSA-N 2 0 318.465 2.112 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(C#N)ccc1F ZINC000374427061 148246103 /nfs/dbraw/zinc/24/61/03/148246103.db2.gz HAHCVRUQYTWUAA-NJAFHUGGSA-N 2 0 317.408 2.381 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000074132483 401731282 /nfs/dbraw/zinc/73/12/82/401731282.db2.gz ACQHPAFOHKFKGN-MRXNPFEDSA-N 2 0 322.497 2.010 20 30 DEEDRP C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000118841596 401910913 /nfs/dbraw/zinc/91/09/13/401910913.db2.gz OERXKWSKIGMFJB-HNNXBMFYSA-N 2 0 314.433 2.160 20 30 DEEDRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC[C@H](C#N)C3)ccn2)CC1 ZINC000185781458 402376763 /nfs/dbraw/zinc/37/67/63/402376763.db2.gz JHKUDNZZCPVAPB-RDJZCZTQSA-N 2 0 313.449 2.005 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268122690 403050837 /nfs/dbraw/zinc/05/08/37/403050837.db2.gz NXRMAOMJPPPNGT-UHFFFAOYSA-N 2 0 307.463 2.190 20 30 DEEDRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269453435 403140379 /nfs/dbraw/zinc/14/03/79/403140379.db2.gz WIGCRLJBMXTJEN-UHFFFAOYSA-N 2 0 318.440 2.205 20 30 DEEDRP C[N@H+](CCOCCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292939113 403384269 /nfs/dbraw/zinc/38/42/69/403384269.db2.gz ZWEXVRFXKXSKGI-SFHVURJKSA-N 2 0 301.434 2.371 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070485 403750671 /nfs/dbraw/zinc/75/06/71/403750671.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 2 0 313.489 2.442 20 30 DEEDRP CN(CC(=O)N[C@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329154627 404246917 /nfs/dbraw/zinc/24/69/17/404246917.db2.gz CAVBFUPYVUGGSU-KJFZJZGVSA-N 2 0 304.438 2.192 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415924460 404972268 /nfs/dbraw/zinc/97/22/68/404972268.db2.gz YIGUHEXTKZWREJ-UHFFFAOYSA-N 2 0 302.422 2.178 20 30 DEEDRP C=CCOc1ccccc1CN1CCN(Cc2ncc[nH]2)CC1 ZINC000353900144 404972387 /nfs/dbraw/zinc/97/23/87/404972387.db2.gz OABZNADDPSIDEK-UHFFFAOYSA-N 2 0 312.417 2.292 20 30 DEEDRP C[C@@H](CCNC(=O)[C@H]([NH3+])CCCC#N)[N@H+](C)Cc1ccccc1 ZINC000424155983 405025240 /nfs/dbraw/zinc/02/52/40/405025240.db2.gz OMLRALODKHCEAC-DOTOQJQBSA-N 2 0 316.449 2.034 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424455260 405100031 /nfs/dbraw/zinc/10/00/31/405100031.db2.gz RKPYVRHVWLETHT-ZACQAIPSSA-N 2 0 322.497 2.254 20 30 DEEDRP C=CCN(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128286 405873959 /nfs/dbraw/zinc/87/39/59/405873959.db2.gz ACWZYPBZXXPLGJ-UHFFFAOYSA-N 2 0 315.461 2.405 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCC[NH2+]1 ZINC000662663090 425705666 /nfs/dbraw/zinc/70/56/66/425705666.db2.gz LBTORVDDEFTHBF-SJLPKXTDSA-N 2 0 319.424 2.243 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC(C[NH+](CC)CC)CC2)CCC[NH2+]1 ZINC000662683913 425711686 /nfs/dbraw/zinc/71/16/86/425711686.db2.gz SSRICGNYPTXAIY-GOSISDBHSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCOc1ccc(C[NH2+]C[C@@H](CC[NH+](C)C)OCC)cc1 ZINC000267847756 275718549 /nfs/dbraw/zinc/71/85/49/275718549.db2.gz DRPFFUOKJZRXNJ-GOSISDBHSA-N 2 0 304.434 2.145 20 30 DEEDRP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000350725397 280184851 /nfs/dbraw/zinc/18/48/51/280184851.db2.gz WLBZBAPWBUVGCM-MHORFTMASA-N 2 0 308.466 2.084 20 30 DEEDRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278639320 280189952 /nfs/dbraw/zinc/18/99/52/280189952.db2.gz HKHHXJIJMQKKKR-MAUKXSAKSA-N 2 0 300.450 2.235 20 30 DEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000583360686 332352927 /nfs/dbraw/zinc/35/29/27/332352927.db2.gz DKMMMIKSVONKTM-ATZDWAIDSA-N 2 0 313.445 2.425 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176154404 340425388 /nfs/dbraw/zinc/42/53/88/340425388.db2.gz ZMPJOCAMECKZRL-IRXDYDNUSA-N 2 0 322.497 2.199 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001357582483 1152315611 /nfs/dbraw/zinc/31/56/11/1152315611.db2.gz WTHVJRQTTYAEMX-PVAVHDDUSA-N 2 0 305.466 2.145 20 30 DEEDRP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001329953566 1149022294 /nfs/dbraw/zinc/02/22/94/1149022294.db2.gz OGMORTOXRSBWBY-MRXNPFEDSA-N 2 0 304.438 2.210 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001330084374 1149047605 /nfs/dbraw/zinc/04/76/05/1149047605.db2.gz FSPYSXLOJCFFIF-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)NC[C@@H]1CCCS1 ZINC000262002213 526375134 /nfs/dbraw/zinc/37/51/34/526375134.db2.gz UTCGFXUJSUVHNU-ILXRZTDVSA-N 2 0 312.527 2.167 20 30 DEEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N1CC[C@H](COC)C1 ZINC000262463241 526378562 /nfs/dbraw/zinc/37/85/62/526378562.db2.gz NCCVESZJFANYGO-BQFCYCMXSA-N 2 0 324.513 2.041 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417523750 526432833 /nfs/dbraw/zinc/43/28/33/526432833.db2.gz ISJOMTGGNMRZFK-UHFFFAOYSA-N 2 0 322.497 2.248 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417537364 526583482 /nfs/dbraw/zinc/58/34/82/526583482.db2.gz LOWIAFQFJRXGCE-MRXNPFEDSA-N 2 0 310.486 2.042 20 30 DEEDRP CCOC(=O)C1([C@@H](C)[NH2+]CC2CCC(C#N)CC2)CC[NH2+]CC1 ZINC000423097171 528607196 /nfs/dbraw/zinc/60/71/96/528607196.db2.gz JCDIUKABCJYPLJ-QQFBHYJXSA-N 2 0 321.465 2.227 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761795 625427327 /nfs/dbraw/zinc/42/73/27/625427327.db2.gz JMQZXVFMKPPSDA-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468315 625462436 /nfs/dbraw/zinc/46/24/36/625462436.db2.gz INZYKDSQECHNBM-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001026560794 625523631 /nfs/dbraw/zinc/52/36/31/625523631.db2.gz DUJGMHUJUCCOCE-GRTSSRMGSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468526 625592183 /nfs/dbraw/zinc/59/21/83/625592183.db2.gz YZTRQNMLDQHCLW-LSDHHAIUSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970214214 623333899 /nfs/dbraw/zinc/33/38/99/623333899.db2.gz RLCADHYECHUMEA-HNNXBMFYSA-N 2 0 315.461 2.027 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575685 623780211 /nfs/dbraw/zinc/78/02/11/623780211.db2.gz MFLWPTIQIHIMMQ-HOTGVXAUSA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021736118 624018936 /nfs/dbraw/zinc/01/89/36/624018936.db2.gz KSDXQXVUIWUHKT-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891521061 624467702 /nfs/dbraw/zinc/46/77/02/624467702.db2.gz SAUGRFWNYAJUAF-INIZCTEOSA-N 2 0 322.497 2.104 20 30 DEEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926344892 624771672 /nfs/dbraw/zinc/77/16/72/624771672.db2.gz ZFJRPQZQKDZRMS-XWDNEUNKSA-N 2 0 308.466 2.199 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972156499 624871847 /nfs/dbraw/zinc/87/18/47/624871847.db2.gz MSQZUSOXPHXKKH-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000998868399 634429031 /nfs/dbraw/zinc/42/90/31/634429031.db2.gz XQHXXQYGZCVDET-NRXISQOPSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972486232 625120922 /nfs/dbraw/zinc/12/09/22/625120922.db2.gz QWWWEHSBLUWLTG-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365186 625239724 /nfs/dbraw/zinc/23/97/24/625239724.db2.gz YZQNNRBEYHUMRO-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531389 625847992 /nfs/dbraw/zinc/84/79/92/625847992.db2.gz QPBBSCRRSZPTPJ-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC000978944007 634460136 /nfs/dbraw/zinc/46/01/36/634460136.db2.gz KOHXLMQUCWSHQP-ZJPYXAASSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999059256 634468681 /nfs/dbraw/zinc/46/86/81/634468681.db2.gz VIVRTWORVZUBLZ-UHFFFAOYSA-N 2 0 318.808 2.279 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000260198 634828905 /nfs/dbraw/zinc/82/89/05/634828905.db2.gz KWGCFTZYHAXPAQ-WBVHZDCISA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995896395 633135672 /nfs/dbraw/zinc/13/56/72/633135672.db2.gz NGZYHYMSOARHJD-CYBMUJFWSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995983842 633153977 /nfs/dbraw/zinc/15/39/77/633153977.db2.gz SERATEORDRIZJI-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995997756 633158421 /nfs/dbraw/zinc/15/84/21/633158421.db2.gz QIDBRXJIANFUIQ-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974581042 633162805 /nfs/dbraw/zinc/16/28/05/633162805.db2.gz VRCLDROZFUWOHR-JKSUJKDBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC000996168683 633206436 /nfs/dbraw/zinc/20/64/36/633206436.db2.gz KQPRXIFCCCUVKC-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997080450 633568216 /nfs/dbraw/zinc/56/82/16/633568216.db2.gz VFEKNXXUQJEVDT-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027408961 633748441 /nfs/dbraw/zinc/74/84/41/633748441.db2.gz APZNHJZEIDPWPK-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027442153 633795739 /nfs/dbraw/zinc/79/57/39/633795739.db2.gz BRQODCFYGLBELI-GJZGRUSLSA-N 2 0 313.873 2.002 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027448374 633801515 /nfs/dbraw/zinc/80/15/15/633801515.db2.gz IDPSMKFMTDLAPA-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473152 633856086 /nfs/dbraw/zinc/85/60/86/633856086.db2.gz GECMPMQGYOQGRR-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997951661 634074235 /nfs/dbraw/zinc/07/42/35/634074235.db2.gz YNNNYQYAYOQNQS-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977653282 634082038 /nfs/dbraw/zinc/08/20/38/634082038.db2.gz IIABYVNAMXTZDM-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001027609980 634279071 /nfs/dbraw/zinc/27/90/71/634279071.db2.gz HLRQUYPHYLXPGU-GDBMZVCRSA-N 2 0 304.438 2.087 20 30 DEEDRP CSc1ccc(C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)cc1C#N ZINC000925771966 634956424 /nfs/dbraw/zinc/95/64/24/634956424.db2.gz FTYMOALMJWHBKD-CYGXGOLOSA-N 2 0 317.458 2.122 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483704 635016755 /nfs/dbraw/zinc/01/67/55/635016755.db2.gz SCHPDJIVOHFASC-INIZCTEOSA-N 2 0 301.434 2.081 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982456 635160336 /nfs/dbraw/zinc/16/03/36/635160336.db2.gz RCHGIIHTDAMOMY-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000892569 635331161 /nfs/dbraw/zinc/33/11/61/635331161.db2.gz CCJIDKKVOVGCIV-SFHVURJKSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001070732 635397448 /nfs/dbraw/zinc/39/74/48/635397448.db2.gz TYTSLPKTHLYYRB-SFHVURJKSA-N 2 0 319.493 2.433 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028088489 635458635 /nfs/dbraw/zinc/45/86/35/635458635.db2.gz JQKVZUFLVWFIPW-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000981438049 635483063 /nfs/dbraw/zinc/48/30/63/635483063.db2.gz JELNZJSOWYGHIK-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001001412043 635490816 /nfs/dbraw/zinc/49/08/16/635490816.db2.gz HCAARQFBAKZEKS-GOSISDBHSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981524796 635514739 /nfs/dbraw/zinc/51/47/39/635514739.db2.gz IECBXMDLLFPIOI-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181323 635783172 /nfs/dbraw/zinc/78/31/72/635783172.db2.gz RDCJWTKIEFQEBZ-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP 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 635943840 /nfs/dbraw/zinc/94/38/40/635943840.db2.gz BCCVRDGNBSUTFM-RWQQGDIJSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595832 636497125 /nfs/dbraw/zinc/49/71/25/636497125.db2.gz JKOZHGLEZSPULO-AEFFLSMTSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005872303 636920934 /nfs/dbraw/zinc/92/09/34/636920934.db2.gz VGGYOINIQPEPDK-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C[NH+](C)C[C@@H]1CN(c2ccc(C#N)cc2Cl)C[C@H]1C[NH+](C)C ZINC000894871543 637278465 /nfs/dbraw/zinc/27/84/65/637278465.db2.gz OIHXMLRHTJTJHG-HUUCEWRRSA-N 2 0 320.868 2.387 20 30 DEEDRP N#Cc1csc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000748099128 638509801 /nfs/dbraw/zinc/50/98/01/638509801.db2.gz FJEMGCZEMQFAPT-OAHLLOKOSA-N 2 0 305.447 2.353 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000985750499 639614709 /nfs/dbraw/zinc/61/47/09/639614709.db2.gz GJVYZYTZZIPVGD-AWEZNQCLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000987187110 640113177 /nfs/dbraw/zinc/11/31/77/640113177.db2.gz ANBQJPJVTWSUDN-PBHICJAKSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000764565895 640655582 /nfs/dbraw/zinc/65/55/82/640655582.db2.gz OJVZUGOTJWYZHA-QGZVFWFLSA-N 2 0 315.461 2.227 20 30 DEEDRP C#CCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000766932691 640929149 /nfs/dbraw/zinc/92/91/49/640929149.db2.gz SFYONYCGLPQFGB-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483227 641121114 /nfs/dbraw/zinc/12/11/14/641121114.db2.gz PSZWBKFTLQDTDE-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000990634109 641564224 /nfs/dbraw/zinc/56/42/24/641564224.db2.gz BGYNZYNERVFXPW-JFIYKMOQSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759593 641946142 /nfs/dbraw/zinc/94/61/42/641946142.db2.gz DQHUJRKLTSUDTL-BVIKNXMNSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000900061085 642253165 /nfs/dbraw/zinc/25/31/65/642253165.db2.gz BBXUNULRQIHGIL-UHFFFAOYSA-N 2 0 312.417 2.056 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000900405870 642359379 /nfs/dbraw/zinc/35/93/79/642359379.db2.gz LIFPPBWSWOOCRT-OAHLLOKOSA-N 2 0 307.438 2.287 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000900419428 642364820 /nfs/dbraw/zinc/36/48/20/642364820.db2.gz XWSOFDKCLOTZDI-UHFFFAOYSA-N 2 0 303.450 2.085 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900605400 642419180 /nfs/dbraw/zinc/41/91/80/642419180.db2.gz KLAGTWPMWBKDNG-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C[C@H]1[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1C ZINC000903301387 643310601 /nfs/dbraw/zinc/31/06/01/643310601.db2.gz QGYASKCOCPBQGU-KXBFYZLASA-N 2 0 312.461 2.205 20 30 DEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722522 643439305 /nfs/dbraw/zinc/43/93/05/643439305.db2.gz MAFQYMPBIMMYMY-OALUTQOASA-N 2 0 316.445 2.452 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000843813755 651034251 /nfs/dbraw/zinc/03/42/51/651034251.db2.gz FSOTUYBMKDEYLH-CRAIPNDOSA-N 2 0 315.461 2.131 20 30 DEEDRP CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(C[NH+](C)C)cc1 ZINC000814885646 646940141 /nfs/dbraw/zinc/94/01/41/646940141.db2.gz GARCPCSNZVQORI-CALCHBBNSA-N 2 0 313.449 2.332 20 30 DEEDRP CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cccc(C[NH+](C)C)c1 ZINC000814885589 646940495 /nfs/dbraw/zinc/94/04/95/646940495.db2.gz DZGCBWVHSSWUBO-CALCHBBNSA-N 2 0 313.449 2.332 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992412046 646980494 /nfs/dbraw/zinc/98/04/94/646980494.db2.gz QQIQWLRXKHISLW-LPHOPBHVSA-N 2 0 317.477 2.162 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000992759318 647228371 /nfs/dbraw/zinc/22/83/71/647228371.db2.gz SBARMXWIESGGJF-GVDBMIGSSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC000992779691 647243259 /nfs/dbraw/zinc/24/32/59/647243259.db2.gz RKJXSHVIQAAFGV-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818985846 647557748 /nfs/dbraw/zinc/55/77/48/647557748.db2.gz XZQZRUYBZMYWNY-SJLPKXTDSA-N 2 0 301.434 2.302 20 30 DEEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819151981 647595217 /nfs/dbraw/zinc/59/52/17/647595217.db2.gz JPJQVJCYZAKDQC-WMZOPIPTSA-N 2 0 301.434 2.159 20 30 DEEDRP CSC1(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000819320873 647633945 /nfs/dbraw/zinc/63/39/45/647633945.db2.gz GIKYSAJWLVWAJW-MRXNPFEDSA-N 2 0 319.474 2.009 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993619010 647708035 /nfs/dbraw/zinc/70/80/35/647708035.db2.gz WCUOAIIERDDLFU-WMLDXEAASA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754355 648940011 /nfs/dbraw/zinc/94/00/11/648940011.db2.gz WUCGNKNNBCSZMU-XHSDSOJGSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785581 648941233 /nfs/dbraw/zinc/94/12/33/648941233.db2.gz OIHWHURKPBQCJT-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863852 649096887 /nfs/dbraw/zinc/09/68/87/649096887.db2.gz QBHKGUIPJXIFPY-KRWDZBQOSA-N 2 0 320.481 2.168 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942301535 649200651 /nfs/dbraw/zinc/20/06/51/649200651.db2.gz GWBWXSRUIGGCMP-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943879299 649447675 /nfs/dbraw/zinc/44/76/75/649447675.db2.gz VCLMINQLXCBXEI-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948552683 649517854 /nfs/dbraw/zinc/51/78/54/649517854.db2.gz AFNZMZMXBIUCHX-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028576 649600259 /nfs/dbraw/zinc/60/02/59/649600259.db2.gz JTYLEOXMSVDVAT-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP CCOc1cc(C)ccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000305036512 685265847 /nfs/dbraw/zinc/26/58/47/685265847.db2.gz STHGBIJFOKMBBP-MRXNPFEDSA-N 2 0 318.465 2.282 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199390 693880661 /nfs/dbraw/zinc/88/06/61/693880661.db2.gz VQZILXFAGXLUSN-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054228560 693891237 /nfs/dbraw/zinc/89/12/37/693891237.db2.gz SWKXYUFTHNSBRB-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP N#Cc1cc(F)ccc1N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000866702544 687658513 /nfs/dbraw/zinc/65/85/13/687658513.db2.gz CNFRABPHLHXLEB-HNNXBMFYSA-N 2 0 316.424 2.209 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016652743 687675046 /nfs/dbraw/zinc/67/50/46/687675046.db2.gz WILUTYIDUQTKMD-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001032399809 689140360 /nfs/dbraw/zinc/14/03/60/689140360.db2.gz IOFAQSPYQGEMDF-ULQDDVLXSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001032663829 689218112 /nfs/dbraw/zinc/21/81/12/689218112.db2.gz FADYRXYZVFUYCK-YESZJQIVSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504120 689524310 /nfs/dbraw/zinc/52/43/10/689524310.db2.gz CXUDEOXZVHUXOW-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855069 689639122 /nfs/dbraw/zinc/63/91/22/689639122.db2.gz GNMJLZKCFNNXRU-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284472 689795339 /nfs/dbraw/zinc/79/53/39/689795339.db2.gz KRWHMWVQRMAGMP-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000876503487 689841373 /nfs/dbraw/zinc/84/13/73/689841373.db2.gz KZFSPXVORSDYHO-MRXNPFEDSA-N 2 0 321.852 2.191 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432024 689847957 /nfs/dbraw/zinc/84/79/57/689847957.db2.gz RXITWZDFAGIJGO-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000876723545 689916224 /nfs/dbraw/zinc/91/62/24/689916224.db2.gz DPRRECGCRQVRFN-JKSUJKDBSA-N 2 0 321.852 2.410 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000876723817 689916320 /nfs/dbraw/zinc/91/63/20/689916320.db2.gz XVRZEMCPDUDVSE-ZIAGYGMSSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000876738948 689923228 /nfs/dbraw/zinc/92/32/28/689923228.db2.gz AULPCHRGWKIPDX-HNNXBMFYSA-N 2 0 313.873 2.227 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001034795870 689949665 /nfs/dbraw/zinc/94/96/65/689949665.db2.gz WNRDEBNKZMCMKJ-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035226706 690065816 /nfs/dbraw/zinc/06/58/16/690065816.db2.gz KOQUOWLBCKCLTL-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035787590 690175695 /nfs/dbraw/zinc/17/56/95/690175695.db2.gz ROBZNOCNGKBPML-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001036090633 690257848 /nfs/dbraw/zinc/25/78/48/690257848.db2.gz IQEGEVCSDLESLH-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762302 690463389 /nfs/dbraw/zinc/46/33/89/690463389.db2.gz IDPRIXVVOLNQSK-WBVHZDCISA-N 2 0 310.401 2.057 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773141 690468811 /nfs/dbraw/zinc/46/88/11/690468811.db2.gz ITAPTODDNFQPSB-WMLDXEAASA-N 2 0 310.401 2.057 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773139 690468846 /nfs/dbraw/zinc/46/88/46/690468846.db2.gz ITAPTODDNFQPSB-PBHICJAKSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001037848237 690622378 /nfs/dbraw/zinc/62/23/78/690622378.db2.gz BMRPHFWKOBZPIC-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1CC ZINC001037876718 690630381 /nfs/dbraw/zinc/63/03/81/690630381.db2.gz QHVOUBKXADIUPM-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037925088 690641749 /nfs/dbraw/zinc/64/17/49/690641749.db2.gz JYVGBQLCMHQSCJ-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001037981882 690656185 /nfs/dbraw/zinc/65/61/85/690656185.db2.gz HKEYWNRVNJCKAG-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038818050 690932919 /nfs/dbraw/zinc/93/29/19/690932919.db2.gz KVLAXOQSXSQVFM-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039136732 691030650 /nfs/dbraw/zinc/03/06/50/691030650.db2.gz OHJFSZMROBODFH-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434202 691105060 /nfs/dbraw/zinc/10/50/60/691105060.db2.gz CRVPGVQKVDPHDT-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001039437120 691105856 /nfs/dbraw/zinc/10/58/56/691105856.db2.gz BIUOTVCREGIIHG-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040398941 691241846 /nfs/dbraw/zinc/24/18/46/691241846.db2.gz MLUBHCCNODACKX-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041342137 691364039 /nfs/dbraw/zinc/36/40/39/691364039.db2.gz COWCVYCYCHITOE-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041353850 691366101 /nfs/dbraw/zinc/36/61/01/691366101.db2.gz KOXFZZHMRLAESY-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC001044682384 691871603 /nfs/dbraw/zinc/87/16/03/691871603.db2.gz PTTIVLMOOMBHAN-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001044794647 691888469 /nfs/dbraw/zinc/88/84/69/691888469.db2.gz XNPJTVQISSKEKJ-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045621915 692006394 /nfs/dbraw/zinc/00/63/94/692006394.db2.gz UYEUPYQLWZZQCP-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045939065 692058189 /nfs/dbraw/zinc/05/81/89/692058189.db2.gz UKPLKQHUDAPIAU-ZHALLVOQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046368640 692167225 /nfs/dbraw/zinc/16/72/25/692167225.db2.gz FTVJDTYWSIOYRE-SJLPKXTDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543363 692644108 /nfs/dbraw/zinc/64/41/08/692644108.db2.gz VAQMYSDTBZXPOB-ACHSLPGTSA-N 2 0 324.428 2.493 20 30 DEEDRP 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 692704828 /nfs/dbraw/zinc/70/48/28/692704828.db2.gz GBCZTNLGLISLML-XWTMOSNGSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516624 692908349 /nfs/dbraw/zinc/90/83/49/692908349.db2.gz DTKUXTVKKBUBCM-HZPDHXFCSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545795 692917417 /nfs/dbraw/zinc/91/74/17/692917417.db2.gz MVEBFTRDMAIPNF-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806914 693006840 /nfs/dbraw/zinc/00/68/40/693006840.db2.gz PPEDWVDDNCZUSN-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cnc1C ZINC001049867819 693030270 /nfs/dbraw/zinc/03/02/70/693030270.db2.gz PRKIDJKEIMJUMS-IRXDYDNUSA-N 2 0 316.449 2.292 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001050081488 693103339 /nfs/dbraw/zinc/10/33/39/693103339.db2.gz ZUBKHKROXJLWIH-MAUKXSAKSA-N 2 0 324.428 2.365 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050085895 693104028 /nfs/dbraw/zinc/10/40/28/693104028.db2.gz NHRZOTOEVXXWLA-FUHWJXTLSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001050643775 693222667 /nfs/dbraw/zinc/22/26/67/693222667.db2.gz OWGVTPLLXKBJPS-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001050765646 693247062 /nfs/dbraw/zinc/24/70/62/693247062.db2.gz UWOVAUFBCMJZCH-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052375981 693518042 /nfs/dbraw/zinc/51/80/42/693518042.db2.gz ARHRMBCBJAVUIZ-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651859 693589547 /nfs/dbraw/zinc/58/95/47/693589547.db2.gz NVIFSNOHCRUWQY-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001382018621 1153319742 /nfs/dbraw/zinc/31/97/42/1153319742.db2.gz IVKYQPJJSRPJPF-GJZGRUSLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001389329280 1155311229 /nfs/dbraw/zinc/31/12/29/1155311229.db2.gz VVRXFGQHDRZYIN-GJZGRUSLSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001394513915 1158602899 /nfs/dbraw/zinc/60/28/99/1158602899.db2.gz BGBGWRITJDEIET-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001403772733 1163163680 /nfs/dbraw/zinc/16/36/80/1163163680.db2.gz QEFXLUJRXCHUNV-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401279417 1161913918 /nfs/dbraw/zinc/91/39/18/1161913918.db2.gz DLEUVSZQJOZSAH-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001401327843 1161933129 /nfs/dbraw/zinc/93/31/29/1161933129.db2.gz VZAYMJWOIVDOSD-RRFJBIMHSA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001402064256 1162233804 /nfs/dbraw/zinc/23/38/04/1162233804.db2.gz ZGPGNYPXLQZBJY-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC001574849591 1166677926 /nfs/dbraw/zinc/67/79/26/1166677926.db2.gz QEOASPKTSPJUQS-CQSZACIVSA-N 2 0 301.862 2.179 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418441685 1167657758 /nfs/dbraw/zinc/65/77/58/1167657758.db2.gz KJWADTUJXPSDAX-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001419828266 1168863425 /nfs/dbraw/zinc/86/34/25/1168863425.db2.gz UDJIJDMWJDKBHG-ZFWWWQNUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001421507558 1171826307 /nfs/dbraw/zinc/82/63/07/1171826307.db2.gz GJODMMIXRRXEDB-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438308815 1180337098 /nfs/dbraw/zinc/33/70/98/1180337098.db2.gz FMPYAGKJPSKULR-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001439480048 1181106755 /nfs/dbraw/zinc/10/67/55/1181106755.db2.gz MKHGVOHZHOCWCR-AWEZNQCLSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001440537596 1181585374 /nfs/dbraw/zinc/58/53/74/1181585374.db2.gz KOXUKRRTQYQIDV-MRXNPFEDSA-N 2 0 313.873 2.005 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106152465 782440464 /nfs/dbraw/zinc/44/04/64/782440464.db2.gz WCTQSHHRUAHLMB-ZJPYXAASSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840653 782982333 /nfs/dbraw/zinc/98/23/33/782982333.db2.gz YUCRKNSJTSSLHG-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106885230 783025294 /nfs/dbraw/zinc/02/52/94/783025294.db2.gz YAANVAKTYYWCMT-HUUCEWRRSA-N 2 0 316.449 2.021 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947617376 783189968 /nfs/dbraw/zinc/18/99/68/783189968.db2.gz XXMFUGICZJWSHM-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC(C)(C)OCC)CC1 ZINC001209074375 776659414 /nfs/dbraw/zinc/65/94/14/776659414.db2.gz AYWRIWVCKFGXTG-UHFFFAOYSA-N 2 0 309.498 2.093 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1C ZINC001104738219 778055850 /nfs/dbraw/zinc/05/58/50/778055850.db2.gz LPXVUUJMAYLGEO-IXDOHACOSA-N 2 0 318.465 2.485 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813771 779355656 /nfs/dbraw/zinc/35/56/56/779355656.db2.gz YOMCBNVKQPAYME-WNRNVDISSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593319 779368711 /nfs/dbraw/zinc/36/87/11/779368711.db2.gz BCQNYUDCIHWZSF-GVDBMIGSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993492 779620595 /nfs/dbraw/zinc/62/05/95/779620595.db2.gz QCXMBVQLHDVCGE-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000985519298 779884518 /nfs/dbraw/zinc/88/45/18/779884518.db2.gz UBQBKOUXTGMLRT-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336819 779988270 /nfs/dbraw/zinc/98/82/70/779988270.db2.gz NLDUXPFSYSHAHO-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001088340980 779993883 /nfs/dbraw/zinc/99/38/83/779993883.db2.gz UAHZRMPSEMIAAR-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001088369258 780030622 /nfs/dbraw/zinc/03/06/22/780030622.db2.gz FAWYWKLPQPJJFK-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001088393644 780065979 /nfs/dbraw/zinc/06/59/79/780065979.db2.gz KKGQRIQLNAWSFY-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001088407867 780080669 /nfs/dbraw/zinc/08/06/69/780080669.db2.gz HJIVBJSTIVSWID-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105578776 780776238 /nfs/dbraw/zinc/77/62/38/780776238.db2.gz GUKZFDNXMVVRBY-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168334779 780851255 /nfs/dbraw/zinc/85/12/55/780851255.db2.gz WTTVEYDRCHOXIP-QQFBHYJXSA-N 2 0 309.454 2.236 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101037775 780960668 /nfs/dbraw/zinc/96/06/68/780960668.db2.gz WSAKIPOONIOKEO-ABHNRTSZSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246848 781181311 /nfs/dbraw/zinc/18/13/11/781181311.db2.gz MRNDWMDZWKXUEL-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001091110897 790911859 /nfs/dbraw/zinc/91/18/59/790911859.db2.gz ZRZVATHLTDNICC-UHFFFAOYSA-N 2 0 312.417 2.317 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001085284715 783619494 /nfs/dbraw/zinc/61/94/94/783619494.db2.gz IVXOLZKGDJQRDP-ZACQAIPSSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639040 783914839 /nfs/dbraw/zinc/91/48/39/783914839.db2.gz GVXAQWPPHWBXAV-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936333 784659745 /nfs/dbraw/zinc/65/97/45/784659745.db2.gz DULSTFZMHJYOAD-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008751162 785294117 /nfs/dbraw/zinc/29/41/17/785294117.db2.gz ZARATFKEWRJPLH-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108703782 785494309 /nfs/dbraw/zinc/49/43/09/785494309.db2.gz VKSPBYKKCHYODV-JYJNAYRXSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803376 785541794 /nfs/dbraw/zinc/54/17/94/785541794.db2.gz BXBVBYWLVQXZRP-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108803648 785548066 /nfs/dbraw/zinc/54/80/66/785548066.db2.gz DUWURBVIXSLVJM-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2nccn21 ZINC001171248400 791123547 /nfs/dbraw/zinc/12/35/47/791123547.db2.gz UJBASUXJWDSKLU-LSDHHAIUSA-N 2 0 304.438 2.211 20 30 DEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410538 785856814 /nfs/dbraw/zinc/85/68/14/785856814.db2.gz IMKVQGHHAXPGOM-IKGGRYGDSA-N 2 0 305.466 2.158 20 30 DEEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001109857784 786086500 /nfs/dbraw/zinc/08/65/00/786086500.db2.gz BIKNWRZNEHSTBZ-SQNIBIBYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578735 786163416 /nfs/dbraw/zinc/16/34/16/786163416.db2.gz DMGSOPXKRMUUKZ-LNLFQRSKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001113183227 786433415 /nfs/dbraw/zinc/43/34/15/786433415.db2.gz JYXQKYXFXFZQRB-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001113403038 786569556 /nfs/dbraw/zinc/56/95/56/786569556.db2.gz PTDHMYHDOMUCTL-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001113419434 786583503 /nfs/dbraw/zinc/58/35/03/786583503.db2.gz RFIWFJIQFXZKAF-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014430816 786583615 /nfs/dbraw/zinc/58/36/15/786583615.db2.gz HHTJCLNQHXQKMR-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731178 786730309 /nfs/dbraw/zinc/73/03/09/786730309.db2.gz ZNVYYYWKUZJBFO-NVXWUHKLSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420059 788061640 /nfs/dbraw/zinc/06/16/40/788061640.db2.gz MGBIGZHGFXEVKF-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132937039 788231665 /nfs/dbraw/zinc/23/16/65/788231665.db2.gz FVKZDHJTQYXTGV-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001133068822 788273041 /nfs/dbraw/zinc/27/30/41/788273041.db2.gz LPOMIBDTFIQNSC-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133071639 788273648 /nfs/dbraw/zinc/27/36/48/788273648.db2.gz ACEHIPWEDWIMRW-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133084481 788276954 /nfs/dbraw/zinc/27/69/54/788276954.db2.gz STSBWDZDSWYNEX-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133262109 788338690 /nfs/dbraw/zinc/33/86/90/788338690.db2.gz GRDSAGVPRDLLJT-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345581 788375458 /nfs/dbraw/zinc/37/54/58/788375458.db2.gz DVXOUZGFKLHHFR-ZFWWWQNUSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772724 789074063 /nfs/dbraw/zinc/07/40/63/789074063.db2.gz HFHUNYSTUFFEEH-CHWSQXEVSA-N 2 0 303.878 2.342 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098096992 789114618 /nfs/dbraw/zinc/11/46/18/789114618.db2.gz OWBLBJCUXZMUQC-KURKYZTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098097073 789118220 /nfs/dbraw/zinc/11/82/20/789118220.db2.gz TXIRLZBHIHEFPU-ZACQAIPSSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098099654 789226885 /nfs/dbraw/zinc/22/68/85/789226885.db2.gz QRVVJNUIKLEGNR-ZACQAIPSSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071871192 789951306 /nfs/dbraw/zinc/95/13/06/789951306.db2.gz GNHFXKDQULXWCX-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001146613964 791323983 /nfs/dbraw/zinc/32/39/83/791323983.db2.gz WBBNOZYZYHLIGV-DLBZAZTESA-N 2 0 319.493 2.171 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146625549 791325555 /nfs/dbraw/zinc/32/55/55/791325555.db2.gz YUOWATLDQQVWKM-LSDHHAIUSA-N 2 0 303.450 2.421 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147410752 791535332 /nfs/dbraw/zinc/53/53/32/791535332.db2.gz UVOOZTKIOJLTPS-GOSISDBHSA-N 2 0 303.450 2.135 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147459558 791540726 /nfs/dbraw/zinc/54/07/26/791540726.db2.gz PFIVJLVTLJAFNY-QGZVFWFLSA-N 2 0 303.450 2.351 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147657909 791590768 /nfs/dbraw/zinc/59/07/68/791590768.db2.gz HCUXTCAARLVLMJ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952747 791862593 /nfs/dbraw/zinc/86/25/93/791862593.db2.gz PHPODHTVYUGRHY-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071211 791928712 /nfs/dbraw/zinc/92/87/12/791928712.db2.gz LPYSCBGGBFHYJR-MJGOQNOKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099544726 792236474 /nfs/dbraw/zinc/23/64/74/792236474.db2.gz UGPLKCFHGSMCHL-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001100374512 792620514 /nfs/dbraw/zinc/62/05/14/792620514.db2.gz OSJIJHXWAFEJCZ-UHFFFAOYSA-N 2 0 321.490 2.484 20 30 DEEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986585 792957517 /nfs/dbraw/zinc/95/75/17/792957517.db2.gz VRJPQJYJZUZVDQ-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171647448 793158118 /nfs/dbraw/zinc/15/81/18/793158118.db2.gz VXIRHSWTLFCIQL-ROUUACIJSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461597 793168482 /nfs/dbraw/zinc/16/84/82/793168482.db2.gz KEFILOZKAZVGKK-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090838 793502024 /nfs/dbraw/zinc/50/20/24/793502024.db2.gz GZKDDJPECHGJLQ-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357733 793584970 /nfs/dbraw/zinc/58/49/70/793584970.db2.gz HOLTUJYEQIXZKO-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368132 793587173 /nfs/dbraw/zinc/58/71/73/793587173.db2.gz GJNKGLMBAVXCQX-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599850 793669447 /nfs/dbraw/zinc/66/94/47/793669447.db2.gz AUKGINYHLJDQCU-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCOC1CCC([NH+]2CCN(CC[NH+](CC)CC)CC2)CC1 ZINC001173319562 793690762 /nfs/dbraw/zinc/69/07/62/793690762.db2.gz MPOBZQZOQZZSEH-UHFFFAOYSA-N 2 0 323.525 2.460 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001174882789 794083128 /nfs/dbraw/zinc/08/31/28/794083128.db2.gz XHTLQFHYWDXFAB-IAGOWNOFSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042994 794127712 /nfs/dbraw/zinc/12/77/12/794127712.db2.gz YYSQNLDODJYTLJ-AWEZNQCLSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184212 794369556 /nfs/dbraw/zinc/36/95/56/794369556.db2.gz JGIWVIKCFJJAKZ-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178688508 794975745 /nfs/dbraw/zinc/97/57/45/794975745.db2.gz KRWGQKKZFCGOHY-GOSISDBHSA-N 2 0 321.509 2.254 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947266 795036562 /nfs/dbraw/zinc/03/65/62/795036562.db2.gz NSMNQNMQEWEKTA-UHFFFAOYSA-N 2 0 300.406 2.400 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001179899573 795193586 /nfs/dbraw/zinc/19/35/86/795193586.db2.gz TXBNMSZNBGQJKO-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180372543 795292709 /nfs/dbraw/zinc/29/27/09/795292709.db2.gz ARYMNYCQILLIJB-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC)CCCCC2)CC1 ZINC001120196501 795420360 /nfs/dbraw/zinc/42/03/60/795420360.db2.gz HOMWTUXIZFTIKN-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP CC(C)C[N@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001120503701 795473778 /nfs/dbraw/zinc/47/37/78/795473778.db2.gz XAXVLYZQDIASHO-UHFFFAOYSA-N 2 0 316.449 2.454 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181441528 795479694 /nfs/dbraw/zinc/47/96/94/795479694.db2.gz QCSPCFSTKOITCR-JFIYKMOQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181895730 795558476 /nfs/dbraw/zinc/55/84/76/795558476.db2.gz DVDVNJYBJUNGFS-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121767534 795684955 /nfs/dbraw/zinc/68/49/55/795684955.db2.gz GIYKBZASUUKWDW-FIXVGMIGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001121773116 795685583 /nfs/dbraw/zinc/68/55/83/795685583.db2.gz OIQVORMCZBIGDE-KZIPQDEESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001121922279 795704437 /nfs/dbraw/zinc/70/44/37/795704437.db2.gz YPNVWVRFSYBHPA-QGZVFWFLSA-N 2 0 319.449 2.273 20 30 DEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001121924170 795705215 /nfs/dbraw/zinc/70/52/15/795705215.db2.gz PGHGLEXYGVBPPN-APUKJBRXSA-N 2 0 319.493 2.003 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001121974240 795711429 /nfs/dbraw/zinc/71/14/29/795711429.db2.gz GZWVGAZPGVCRFA-SJORKVTESA-N 2 0 319.449 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001182637380 795717217 /nfs/dbraw/zinc/71/72/17/795717217.db2.gz BUQFPJYQIMVCEU-IVMMDQJWSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184555843 796083781 /nfs/dbraw/zinc/08/37/81/796083781.db2.gz MIPFZJCQLIJQPM-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184559582 796084504 /nfs/dbraw/zinc/08/45/04/796084504.db2.gz MTAPTFTVHBEFSC-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185053781 796171090 /nfs/dbraw/zinc/17/10/90/796171090.db2.gz VIXZOBFTRAWVCD-SJORKVTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185260654 796224699 /nfs/dbraw/zinc/22/46/99/796224699.db2.gz MCDMFKVQWHKXAP-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185379261 796244484 /nfs/dbraw/zinc/24/44/84/796244484.db2.gz AZWRKRQYFYSNQU-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203029612 796516017 /nfs/dbraw/zinc/51/60/17/796516017.db2.gz UKWDSEGSPTVBLB-HUUCEWRRSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139093 796630660 /nfs/dbraw/zinc/63/06/60/796630660.db2.gz HYKYZFVYBUIACB-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP CSc1nc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ccc1C#N ZINC001141934138 796699498 /nfs/dbraw/zinc/69/94/98/796699498.db2.gz FLGGGNPGKMNSMR-KGLIPLIRSA-N 2 0 302.447 2.059 20 30 DEEDRP C=C(C)Cc1ccc(C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])cc1 ZINC001190238865 796965662 /nfs/dbraw/zinc/96/56/62/796965662.db2.gz HVXKNHOPXQLYQZ-UHFFFAOYSA-N 2 0 316.449 2.483 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116277 797466154 /nfs/dbraw/zinc/46/61/54/797466154.db2.gz FKVQKCUUYNHHAR-CYBMUJFWSA-N 2 0 300.406 2.269 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455462 797538231 /nfs/dbraw/zinc/53/82/31/797538231.db2.gz RJIFEJXUPPWQBC-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193488171 797574089 /nfs/dbraw/zinc/57/40/89/797574089.db2.gz LQGRCIXQXJOAJK-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001156318684 797973630 /nfs/dbraw/zinc/97/36/30/797973630.db2.gz FLBJRMNQFBQCNO-SJLPKXTDSA-N 2 0 315.461 2.139 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138366 798148531 /nfs/dbraw/zinc/14/85/31/798148531.db2.gz XFRHMMHLLHUNMC-MRXNPFEDSA-N 2 0 315.461 2.212 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477217 798193455 /nfs/dbraw/zinc/19/34/55/798193455.db2.gz DJSNEBKZESHKGS-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198098182 798280231 /nfs/dbraw/zinc/28/02/31/798280231.db2.gz QISRZOSKRVTGPE-KRWDZBQOSA-N 2 0 309.498 2.443 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973859 798318667 /nfs/dbraw/zinc/31/86/67/798318667.db2.gz UKZPGSOKADCMDC-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203902238 798320743 /nfs/dbraw/zinc/32/07/43/798320743.db2.gz DQRUOGSOQFCHFD-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097373 798341463 /nfs/dbraw/zinc/34/14/63/798341463.db2.gz ANLOZRLAICHJJS-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1CNc1nccc(C2CC[NH2+]CC2)n1 ZINC001160953484 798769235 /nfs/dbraw/zinc/76/92/35/798769235.db2.gz BVQADPXDDRGCDF-HNNXBMFYSA-N 2 0 301.438 2.006 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553526 798883289 /nfs/dbraw/zinc/88/32/89/798883289.db2.gz CSIBZXMBRAAIQU-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161645337 798902451 /nfs/dbraw/zinc/90/24/51/798902451.db2.gz DBYASAROXUWYSF-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161698875 798915630 /nfs/dbraw/zinc/91/56/30/798915630.db2.gz FGPJTYIGPIYDPK-QGZVFWFLSA-N 2 0 305.466 2.043 20 30 DEEDRP 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 798969579 /nfs/dbraw/zinc/96/95/79/798969579.db2.gz WAJXZUMHMMONHK-NCOADZHNSA-N 2 0 307.482 2.260 20 30 DEEDRP C[Si](C)(C)C#Cc1cccnc1NCCC[NH2+]CCCC[NH3+] ZINC001162292973 799052359 /nfs/dbraw/zinc/05/23/59/799052359.db2.gz UPFWWXRTMKDRKV-UHFFFAOYSA-N 2 0 318.541 2.441 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165485570 799736886 /nfs/dbraw/zinc/73/68/86/799736886.db2.gz ZCDZAWWDXIHKRO-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728672 799766766 /nfs/dbraw/zinc/76/67/66/799766766.db2.gz QWRSKSWPEXHHGN-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165728402 799766870 /nfs/dbraw/zinc/76/68/70/799766870.db2.gz QWRSKSWPEXHHGN-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926716 799796840 /nfs/dbraw/zinc/79/68/40/799796840.db2.gz ADEOUDVRXGKYFJ-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166380737 799865008 /nfs/dbraw/zinc/86/50/08/799865008.db2.gz IJIWSRAMBFCOAI-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687506 799922349 /nfs/dbraw/zinc/92/23/49/799922349.db2.gz UIAXKKQWJSSTKX-KRWDZBQOSA-N 2 0 313.461 2.261 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166750595 799940941 /nfs/dbraw/zinc/94/09/41/799940941.db2.gz IIHUCMFEPUACGU-UHFFFAOYSA-N 2 0 317.477 2.223 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166842026 799962229 /nfs/dbraw/zinc/96/22/29/799962229.db2.gz HXNHZDQYCGYTQG-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203514888 800066837 /nfs/dbraw/zinc/06/68/37/800066837.db2.gz PHLTXYGIDYAYIY-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203578226 800083879 /nfs/dbraw/zinc/08/38/79/800083879.db2.gz VSBGYCBLABGBDI-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730483 800113015 /nfs/dbraw/zinc/11/30/15/800113015.db2.gz LJWMWVLNNQTPAC-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204793843 800258109 /nfs/dbraw/zinc/25/81/09/800258109.db2.gz PHDFAJYUDGWVMW-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628923 800568314 /nfs/dbraw/zinc/56/83/14/800568314.db2.gz YWHJFROGMQOCCL-SFHVURJKSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206947902 800638706 /nfs/dbraw/zinc/63/87/06/800638706.db2.gz NZSDIXXSKKMHAS-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684021 800806769 /nfs/dbraw/zinc/80/67/69/800806769.db2.gz JSEUJEWQYUMTLX-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208473786 800991017 /nfs/dbraw/zinc/99/10/17/800991017.db2.gz DXSGGPCFABECFL-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229716958 801309690 /nfs/dbraw/zinc/30/96/90/801309690.db2.gz MZRAANNGMZMRHF-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210594714 801429111 /nfs/dbraw/zinc/42/91/11/801429111.db2.gz OHCRWGUWHJJQGM-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592201 801431795 /nfs/dbraw/zinc/43/17/95/801431795.db2.gz UVLYBDUQEJXALO-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612504 801436834 /nfs/dbraw/zinc/43/68/34/801436834.db2.gz BVLYIDJWODIBPR-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211072662 801508557 /nfs/dbraw/zinc/50/85/57/801508557.db2.gz UPOXUMKSIWTPSO-IRXDYDNUSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262323 801539267 /nfs/dbraw/zinc/53/92/67/801539267.db2.gz OGKTYJVQKKTKTK-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444341 801567197 /nfs/dbraw/zinc/56/71/97/801567197.db2.gz VTHIUGDUYJIOJZ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214755072 801757619 /nfs/dbraw/zinc/75/76/19/801757619.db2.gz QOCOCEQBGHKGLG-OWCLPIDISA-N 2 0 313.461 2.069 20 30 DEEDRP COc1cccc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c1C#N ZINC001218977327 802267927 /nfs/dbraw/zinc/26/79/27/802267927.db2.gz ADCTWMRJJGYWTB-AWEZNQCLSA-N 2 0 318.421 2.001 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817528 802617971 /nfs/dbraw/zinc/61/79/71/802617971.db2.gz WSDVKFDAMGSYHS-IAGOWNOFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707260 802731524 /nfs/dbraw/zinc/73/15/24/802731524.db2.gz BFWPSJJHFDUGRK-TVFCKZIOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891551 802747858 /nfs/dbraw/zinc/74/78/58/802747858.db2.gz DWGBJMLGHBEOKE-BPQIPLTHSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001222976332 802754391 /nfs/dbraw/zinc/75/43/91/802754391.db2.gz LPWSDMUGVSETNA-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223249894 802774974 /nfs/dbraw/zinc/77/49/74/802774974.db2.gz QOWRVAUBMHZSLO-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001223938164 802824453 /nfs/dbraw/zinc/82/44/53/802824453.db2.gz RJFRDFYWRJLKAU-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223962841 802825696 /nfs/dbraw/zinc/82/56/96/802825696.db2.gz WIOUBHUYXRALAM-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224260938 802852491 /nfs/dbraw/zinc/85/24/91/802852491.db2.gz NMXBAQSCTRIXKW-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224558846 802881917 /nfs/dbraw/zinc/88/19/17/802881917.db2.gz IUXDXXBREREIRG-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227817924 803284207 /nfs/dbraw/zinc/28/42/07/803284207.db2.gz PDULCHPGRPLUHN-YOEHRIQHSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001228096538 803319775 /nfs/dbraw/zinc/31/97/75/803319775.db2.gz PBKUDHWTIOIUOH-UHFFFAOYSA-N 2 0 316.449 2.065 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001228156023 803326301 /nfs/dbraw/zinc/32/63/01/803326301.db2.gz CMWDLDDDJJSLIW-UHFFFAOYSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415385 803356865 /nfs/dbraw/zinc/35/68/65/803356865.db2.gz LIRAESVSRUEFIK-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001330935378 1149338774 /nfs/dbraw/zinc/33/87/74/1149338774.db2.gz NYERJSDDCWSHFY-MRXNPFEDSA-N 2 0 320.481 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001351165813 1151481473 /nfs/dbraw/zinc/48/14/73/1151481473.db2.gz QJVIGZWQLWWEGT-LZLYRXPVSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106615 1058495695 /nfs/dbraw/zinc/49/56/95/1058495695.db2.gz IHIYZRRNTUWZHJ-SZMVWBNQSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001501051380 1059235298 /nfs/dbraw/zinc/23/52/98/1059235298.db2.gz VNWZVURIZOYTGB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001505660720 1060831771 /nfs/dbraw/zinc/83/17/71/1060831771.db2.gz NYMJNBHRPKDPJJ-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001505791981 1060969925 /nfs/dbraw/zinc/96/99/25/1060969925.db2.gz UJQPJYOJGWVCOX-UHFFFAOYSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001479251398 1061329832 /nfs/dbraw/zinc/32/98/32/1061329832.db2.gz FZXVTWIPHIDVHC-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001479369231 1061419299 /nfs/dbraw/zinc/41/92/99/1061419299.db2.gz PPGYQKKRUTWOMV-UOVPBQLFSA-N 2 0 319.493 2.167 20 30 DEEDRP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001479791771 1061774969 /nfs/dbraw/zinc/77/49/69/1061774969.db2.gz SGMOYRWADOQCIZ-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001479843500 1061890143 /nfs/dbraw/zinc/89/01/43/1061890143.db2.gz GDZKAXOFHLBRNI-HNNXBMFYSA-N 2 0 315.889 2.440 20 30 DEEDRP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001506489099 1062035728 /nfs/dbraw/zinc/03/57/28/1062035728.db2.gz OHYQXZFXOCNCAQ-MSOLQXFVSA-N 2 0 321.509 2.347 20 30 DEEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)CC1CC[NH+](C)CC1 ZINC001506548725 1062113850 /nfs/dbraw/zinc/11/38/50/1062113850.db2.gz KVXVTPHMPSDBHB-KRWDZBQOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480088546 1062307306 /nfs/dbraw/zinc/30/73/06/1062307306.db2.gz JDNDXVNRAGAPAC-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001506864302 1062448850 /nfs/dbraw/zinc/44/88/50/1062448850.db2.gz HYMAHIVDWLASOL-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001480255164 1062538577 /nfs/dbraw/zinc/53/85/77/1062538577.db2.gz QRIMJTHTSTZOQY-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001506978459 1062623599 /nfs/dbraw/zinc/62/35/99/1062623599.db2.gz OULIAWJIBOYOBT-UHFFFAOYSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001507106584 1062842461 /nfs/dbraw/zinc/84/24/61/1062842461.db2.gz MFVAQAPKOHNEJW-CYBMUJFWSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508231295 1063624027 /nfs/dbraw/zinc/62/40/27/1063624027.db2.gz XSMDMLRUCDGFQD-GOSISDBHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494320373 1064211873 /nfs/dbraw/zinc/21/18/73/1064211873.db2.gz YFCNZGNCCVMDLE-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567702922 1064362391 /nfs/dbraw/zinc/36/23/91/1064362391.db2.gz NMHITMXJWPSTJG-INIZCTEOSA-N 2 0 324.428 2.108 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567729806 1064380640 /nfs/dbraw/zinc/38/06/40/1064380640.db2.gz OITYDVJHWRRHOY-YESZJQIVSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567775242 1064414700 /nfs/dbraw/zinc/41/47/00/1064414700.db2.gz YPTLTVOXNCWYGX-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001495188368 1064751810 /nfs/dbraw/zinc/75/18/10/1064751810.db2.gz OCFFVUNCCRTNQA-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001568357928 1064801919 /nfs/dbraw/zinc/80/19/19/1064801919.db2.gz NLIFMBPUWLBAEF-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001568368249 1064811416 /nfs/dbraw/zinc/81/14/16/1064811416.db2.gz FDHOSGANKWJTCK-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001568466119 1064890747 /nfs/dbraw/zinc/89/07/47/1064890747.db2.gz RCEINUBOVBXEIF-SFHVURJKSA-N 2 0 315.461 2.116 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568535574 1064946906 /nfs/dbraw/zinc/94/69/06/1064946906.db2.gz FQRVDRHVOACOAB-HOTGVXAUSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)Cn2ccnc2)CC1 ZINC001495538792 1064972543 /nfs/dbraw/zinc/97/25/43/1064972543.db2.gz GJVLYHMDOQDBDO-INIZCTEOSA-N 2 0 318.465 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569247390 1065392888 /nfs/dbraw/zinc/39/28/88/1065392888.db2.gz NOUDERPQNGYIPI-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCCC1 ZINC001496312539 1065399936 /nfs/dbraw/zinc/39/99/36/1065399936.db2.gz QWRTUVAILARGFA-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001496413435 1065455039 /nfs/dbraw/zinc/45/50/39/1065455039.db2.gz FXBRZPRNVXQKTD-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001569864649 1065775000 /nfs/dbraw/zinc/77/50/00/1065775000.db2.gz FDBRAFFVXUNSQN-QAQDUYKDSA-N 2 0 321.509 2.110 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569984148 1065859504 /nfs/dbraw/zinc/85/95/04/1065859504.db2.gz QGPVDDIVDIRXRP-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001570005140 1065873667 /nfs/dbraw/zinc/87/36/67/1065873667.db2.gz MEGHQKLCNUFAQP-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001570021585 1065886319 /nfs/dbraw/zinc/88/63/19/1065886319.db2.gz HIKHUBBYXZXJSS-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001570255077 1065992223 /nfs/dbraw/zinc/99/22/23/1065992223.db2.gz OVDXBWCMUFJUGQ-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001570265487 1065995353 /nfs/dbraw/zinc/99/53/53/1065995353.db2.gz PDILGJCZJJMLRC-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570274517 1066000413 /nfs/dbraw/zinc/00/04/13/1066000413.db2.gz FHWZWHYNMJGWGV-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497384553 1066065635 /nfs/dbraw/zinc/06/56/35/1066065635.db2.gz YNCCHCDCSHUYJT-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570465235 1066084311 /nfs/dbraw/zinc/08/43/11/1066084311.db2.gz NXCJAZHHQVASDS-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC(C)(C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001632011646 1078377073 /nfs/dbraw/zinc/37/70/73/1078377073.db2.gz LHXOTLOZWBSVBB-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001498379668 1066666287 /nfs/dbraw/zinc/66/62/87/1066666287.db2.gz ATILBOQXRLMNAB-RHSMWYFYSA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001498379667 1066666714 /nfs/dbraw/zinc/66/67/14/1066666714.db2.gz ATILBOQXRLMNAB-PBHICJAKSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498497860 1066746625 /nfs/dbraw/zinc/74/66/25/1066746625.db2.gz RXSFTMZZGSEQPX-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001498905332 1066949731 /nfs/dbraw/zinc/94/97/31/1066949731.db2.gz ZXNFRXDOGNFPFU-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP Cc1cc(C[NH2+]CCCCCN2CC[NH2+]CC2)ccc1C#N ZINC001579601144 1067380815 /nfs/dbraw/zinc/38/08/15/1067380815.db2.gz JSHZCBCBOWCTFR-UHFFFAOYSA-N 2 0 300.450 2.032 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001571492765 1068349133 /nfs/dbraw/zinc/34/91/33/1068349133.db2.gz IMYDYVMJHCJYQE-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001571505729 1068363835 /nfs/dbraw/zinc/36/38/35/1068363835.db2.gz VTXSLRJDEQDACC-FUHWJXTLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001571549626 1068414553 /nfs/dbraw/zinc/41/45/53/1068414553.db2.gz FBXBEWJUYIKAHA-IRXDYDNUSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001267334011 1078772851 /nfs/dbraw/zinc/77/28/51/1078772851.db2.gz UVRGZZQPUDNJJC-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267357865 1078790576 /nfs/dbraw/zinc/79/05/76/1078790576.db2.gz SQZVSYJVPPYPCO-QZTJIDSGSA-N 2 0 315.461 2.492 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267459763 1078868451 /nfs/dbraw/zinc/86/84/51/1078868451.db2.gz MPORELOMBTVAGA-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001521546933 1069251044 /nfs/dbraw/zinc/25/10/44/1069251044.db2.gz OEZWPKPPXLKUEJ-CHWSQXEVSA-N 2 0 305.413 2.178 20 30 DEEDRP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](C)[NH+](C)C ZINC001574835253 1069274096 /nfs/dbraw/zinc/27/40/96/1069274096.db2.gz NHYOHUIZALYEGU-GJZGRUSLSA-N 2 0 320.485 2.055 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267562991 1078996223 /nfs/dbraw/zinc/99/62/23/1078996223.db2.gz PODVRHMACMQZRY-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267588157 1079096638 /nfs/dbraw/zinc/09/66/38/1079096638.db2.gz URAKVBRAEHYLIK-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267595305 1079111683 /nfs/dbraw/zinc/11/16/83/1079111683.db2.gz HISXPJVLVUWCMV-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267595260 1079111920 /nfs/dbraw/zinc/11/19/20/1079111920.db2.gz GYLBERKVSBGWFQ-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001329342361 1148886432 /nfs/dbraw/zinc/88/64/32/1148886432.db2.gz XKIXZELOGAGCFF-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001483959527 1079204500 /nfs/dbraw/zinc/20/45/00/1079204500.db2.gz WYGNCLBLXJGPEE-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](C(C)C)CC1 ZINC001483989405 1079227954 /nfs/dbraw/zinc/22/79/54/1079227954.db2.gz IQXWTQDPWGIQSI-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001483997332 1079231231 /nfs/dbraw/zinc/23/12/31/1079231231.db2.gz WJSRGGWFHMLMRQ-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001565771231 1075186678 /nfs/dbraw/zinc/18/66/78/1075186678.db2.gz HYAQOLHCUZLRKA-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001565824636 1075189827 /nfs/dbraw/zinc/18/98/27/1075189827.db2.gz KWHVJLLEJSDEQW-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001565906879 1075205444 /nfs/dbraw/zinc/20/54/44/1075205444.db2.gz RGQIJGRCNNTAAO-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001565985089 1075213195 /nfs/dbraw/zinc/21/31/95/1075213195.db2.gz UFFUPSYGYNUNGX-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001566027789 1075218329 /nfs/dbraw/zinc/21/83/29/1075218329.db2.gz ZICTUFWHTLDQAQ-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001566049372 1075220979 /nfs/dbraw/zinc/22/09/79/1075220979.db2.gz AJRMOPYGJPZSKI-IKGGRYGDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001566490800 1075259305 /nfs/dbraw/zinc/25/93/05/1075259305.db2.gz CYOGDQWTGFUJEQ-KRWDZBQOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267697671 1079385082 /nfs/dbraw/zinc/38/50/82/1079385082.db2.gz TYSSJCCURUSZSM-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001566739282 1075330667 /nfs/dbraw/zinc/33/06/67/1075330667.db2.gz WRFNGSQPTBZRJI-MRXNPFEDSA-N 2 0 324.428 2.060 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001566813830 1075351197 /nfs/dbraw/zinc/35/11/97/1075351197.db2.gz PHQIYMUSAWQHKN-QBPKDAKJSA-N 2 0 307.482 2.452 20 30 DEEDRP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001267729810 1079421785 /nfs/dbraw/zinc/42/17/85/1079421785.db2.gz GVHBFVQVZZJTIP-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001496349273 1079458606 /nfs/dbraw/zinc/45/86/06/1079458606.db2.gz CMLKSIXXKWDHLJ-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCCC)C2CC2)CC1 ZINC001267864572 1079552028 /nfs/dbraw/zinc/55/20/28/1079552028.db2.gz GSWVAJBPDGUPPU-IBGZPJMESA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484399706 1079591540 /nfs/dbraw/zinc/59/15/40/1079591540.db2.gz SPEKQZGBMAUHID-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001484901591 1079844827 /nfs/dbraw/zinc/84/48/27/1079844827.db2.gz GMWMRPJZBBRIFB-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001671428748 1080105715 /nfs/dbraw/zinc/10/57/15/1080105715.db2.gz KKQKJNKAAHUWRI-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001656624594 1080107520 /nfs/dbraw/zinc/10/75/20/1080107520.db2.gz CEBIYJQYHHPNLX-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001656653183 1080110189 /nfs/dbraw/zinc/11/01/89/1080110189.db2.gz WHOCMRUURDJGAF-KBAYOESNSA-N 2 0 319.493 2.262 20 30 DEEDRP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001268196851 1080185543 /nfs/dbraw/zinc/18/55/43/1080185543.db2.gz GBVJVUFIRGCPDR-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001485434127 1080205114 /nfs/dbraw/zinc/20/51/14/1080205114.db2.gz JXXHHDKOCUOBAO-MSOLQXFVSA-N 2 0 321.509 2.203 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001485658362 1080349820 /nfs/dbraw/zinc/34/98/20/1080349820.db2.gz SFDJAPGYLUMQDQ-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001485702571 1080384054 /nfs/dbraw/zinc/38/40/54/1080384054.db2.gz WTNUUILRJZDOHN-QBPKDAKJSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001660833819 1080404883 /nfs/dbraw/zinc/40/48/83/1080404883.db2.gz VDLVZGRUSMUPBM-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001485761735 1080418002 /nfs/dbraw/zinc/41/80/02/1080418002.db2.gz ZPLAAVRBQNTSQA-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001661235833 1080460385 /nfs/dbraw/zinc/46/03/85/1080460385.db2.gz PPDYHPYKWUDKJM-SFHVURJKSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001272715297 1080481575 /nfs/dbraw/zinc/48/15/75/1080481575.db2.gz ZRBGTMVKNGWZPD-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001661921990 1080545315 /nfs/dbraw/zinc/54/53/15/1080545315.db2.gz RZJNYFFVHUWXJL-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001673406749 1080658998 /nfs/dbraw/zinc/65/89/98/1080658998.db2.gz IVPXCKZXGRRBJD-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001663120240 1080706525 /nfs/dbraw/zinc/70/65/25/1080706525.db2.gz RQLXWCFKWUERIF-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001663761102 1080814413 /nfs/dbraw/zinc/81/44/13/1080814413.db2.gz HXPLAMJRJQMDCF-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001482158856 1080868310 /nfs/dbraw/zinc/86/83/10/1080868310.db2.gz IDUAVRYMWFNICA-AEFFLSMTSA-N 2 0 315.461 2.045 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001664599523 1080931851 /nfs/dbraw/zinc/93/18/51/1080931851.db2.gz SHEMCDWOYPDXOW-WMZOPIPTSA-N 2 0 315.461 2.351 20 30 DEEDRP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001664876439 1080974510 /nfs/dbraw/zinc/97/45/10/1080974510.db2.gz WQMRWYNSIDNKQU-KRWDZBQOSA-N 2 0 309.498 2.319 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001665304927 1081012195 /nfs/dbraw/zinc/01/21/95/1081012195.db2.gz AWTXOUAFUPSMPY-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001666152564 1081128542 /nfs/dbraw/zinc/12/85/42/1081128542.db2.gz QRLGNPCWRBLFAX-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001666323288 1081143959 /nfs/dbraw/zinc/14/39/59/1081143959.db2.gz JOTJPPXQEZYEAF-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001667028066 1081203300 /nfs/dbraw/zinc/20/33/00/1081203300.db2.gz DLQJMYBQGMCUHC-NVXWUHKLSA-N 2 0 303.450 2.302 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269356561 1081226266 /nfs/dbraw/zinc/22/62/66/1081226266.db2.gz RMBNTEDCUWDEEA-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001269540975 1081283493 /nfs/dbraw/zinc/28/34/93/1081283493.db2.gz SJJXGKFNBVDURM-UHFFFAOYSA-N 2 0 301.434 2.176 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001482235673 1081321296 /nfs/dbraw/zinc/32/12/96/1081321296.db2.gz ONHNPQDPLDMTCI-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCN1CC(N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501087 1081354429 /nfs/dbraw/zinc/35/44/29/1081354429.db2.gz OMWOQRNHGHJDPR-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCN1CC(N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501088 1081355052 /nfs/dbraw/zinc/35/50/52/1081355052.db2.gz OMWOQRNHGHJDPR-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001669208784 1081438764 /nfs/dbraw/zinc/43/87/64/1081438764.db2.gz VXCIHAGDATVQKW-MBVDDHJVSA-N 2 0 313.873 2.121 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001671491612 1081519470 /nfs/dbraw/zinc/51/94/70/1081519470.db2.gz DZASSNLGZCFLLL-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCC1 ZINC001671555390 1081523432 /nfs/dbraw/zinc/52/34/32/1081523432.db2.gz ZCIULVRCIXFSIG-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001482351644 1081751869 /nfs/dbraw/zinc/75/18/69/1081751869.db2.gz DYXMAZDNSRFIBW-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001674032920 1081830386 /nfs/dbraw/zinc/83/03/86/1081830386.db2.gz BTAKXULBDAHETE-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001674457811 1081874677 /nfs/dbraw/zinc/87/46/77/1081874677.db2.gz NRHVNKVLMAAJQK-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001266314277 1081965604 /nfs/dbraw/zinc/96/56/04/1081965604.db2.gz VGOYFWJBEGCOSL-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001266314278 1081965787 /nfs/dbraw/zinc/96/57/87/1081965787.db2.gz VGOYFWJBEGCOSL-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCCC1 ZINC001271347213 1082017094 /nfs/dbraw/zinc/01/70/94/1082017094.db2.gz LCWOPCWTKIJODC-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001266493743 1082073585 /nfs/dbraw/zinc/07/35/85/1082073585.db2.gz CTBGWXLAGHUQLQ-IYBDPMFKSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271653937 1082100963 /nfs/dbraw/zinc/10/09/63/1082100963.db2.gz AQZZCQKXAREHLT-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001271711571 1082115865 /nfs/dbraw/zinc/11/58/65/1082115865.db2.gz JMZVRUOFLOUUAE-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001482495844 1082120858 /nfs/dbraw/zinc/12/08/58/1082120858.db2.gz SWHLRFKYIVKTST-IAGOWNOFSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001271778944 1082152823 /nfs/dbraw/zinc/15/28/23/1082152823.db2.gz QBNDPLVIVSHLTC-SFHVURJKSA-N 2 0 321.509 2.156 20 30 DEEDRP C=C(C)C[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001271789942 1082155150 /nfs/dbraw/zinc/15/51/50/1082155150.db2.gz DNTQXONZEAPHFT-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001482533684 1082169642 /nfs/dbraw/zinc/16/96/42/1082169642.db2.gz ZRFYSCWURXHDIP-SJORKVTESA-N 2 0 307.482 2.025 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266807005 1082359562 /nfs/dbraw/zinc/35/95/62/1082359562.db2.gz BFFHJFMSZLMWKB-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482681577 1082475760 /nfs/dbraw/zinc/47/57/60/1082475760.db2.gz JWTHMDTXFQTTOB-DOTOQJQBSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211311070 1083554745 /nfs/dbraw/zinc/55/47/45/1083554745.db2.gz YXZPJWXOLFAZFB-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001272762614 1083958080 /nfs/dbraw/zinc/95/80/80/1083958080.db2.gz BCARNWVPWSCTAQ-BRSBDYLESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491122399 1084088466 /nfs/dbraw/zinc/08/84/66/1084088466.db2.gz IYNRXUHMPAEQMD-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2cc[nH+]cc2)C3)cc1C#N ZINC001277695259 1084099613 /nfs/dbraw/zinc/09/96/13/1084099613.db2.gz XNTMBZDJRPGQJZ-QAPCUYQASA-N 2 0 307.401 2.002 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001491173806 1084129276 /nfs/dbraw/zinc/12/92/76/1084129276.db2.gz UJMZHRUHNVDCPP-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001491260571 1084188432 /nfs/dbraw/zinc/18/84/32/1084188432.db2.gz ROQJNEGHUGNIQH-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491281832 1084204638 /nfs/dbraw/zinc/20/46/38/1084204638.db2.gz LQKPKNNTKAFTEL-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001078682808 1084796325 /nfs/dbraw/zinc/79/63/25/1084796325.db2.gz IKOFENXPQCOFNY-HOTGVXAUSA-N 2 0 310.401 2.151 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001494152262 1085288311 /nfs/dbraw/zinc/28/83/11/1085288311.db2.gz BHQOVLQMOUMUQG-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)c(F)c1 ZINC001486525438 1085408279 /nfs/dbraw/zinc/40/82/79/1085408279.db2.gz KTJBRBFDWPZNLJ-MRXNPFEDSA-N 2 0 307.413 2.058 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603053 1088450314 /nfs/dbraw/zinc/45/03/14/1088450314.db2.gz MNOAWIOWGGSEDQ-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554613 1089062245 /nfs/dbraw/zinc/06/22/45/1089062245.db2.gz XXKQFMGYYLPMBM-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 1090599506 /nfs/dbraw/zinc/59/95/06/1090599506.db2.gz XWPONLITMAPBIX-IXDOHACOSA-N 2 0 307.482 2.072 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001085197953 1090954515 /nfs/dbraw/zinc/95/45/15/1090954515.db2.gz ULKXVRCBOPZDBP-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001274382052 1091216836 /nfs/dbraw/zinc/21/68/36/1091216836.db2.gz INTQOXOTTVZMOC-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001275114734 1091566268 /nfs/dbraw/zinc/56/62/68/1091566268.db2.gz KQUDPIVVTWAFLS-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001273487957 1091878632 /nfs/dbraw/zinc/87/86/32/1091878632.db2.gz XHIZXTMHCWIFRD-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001488689265 1092688309 /nfs/dbraw/zinc/68/83/09/1092688309.db2.gz KVZZWQBIVMJJDT-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001488916716 1092815152 /nfs/dbraw/zinc/81/51/52/1092815152.db2.gz CFIGAPVQKNGBQU-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001488993084 1092871104 /nfs/dbraw/zinc/87/11/04/1092871104.db2.gz VXVXOPSTKMTYJP-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490455366 1093392606 /nfs/dbraw/zinc/39/26/06/1093392606.db2.gz YJVKQIDNHCYUDH-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001490595639 1093435765 /nfs/dbraw/zinc/43/57/65/1093435765.db2.gz PIDKWIWTYKRYNX-CVEARBPZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001490599569 1093437110 /nfs/dbraw/zinc/43/71/10/1093437110.db2.gz RHQVYGRXJOYRCV-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001278254037 1138859757 /nfs/dbraw/zinc/85/97/57/1138859757.db2.gz YZAMYLZRUJJXIJ-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP N#Cc1cc(-c2ccc3c(c2)COC32C[NH2+]C2)cc(C2C[NH2+]C2)c1 ZINC001240361345 1139348821 /nfs/dbraw/zinc/34/88/21/1139348821.db2.gz XGMVQTRMICYHGM-UHFFFAOYSA-N 2 0 317.392 2.241 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001318482206 1140346402 /nfs/dbraw/zinc/34/64/02/1140346402.db2.gz DZVROFXQSFWMGF-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C[C@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@@H]1C ZINC001318744061 1140398761 /nfs/dbraw/zinc/39/87/61/1140398761.db2.gz JEZDBJPPQKJGII-MAUKXSAKSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001318806095 1140424285 /nfs/dbraw/zinc/42/42/85/1140424285.db2.gz REDBUHCLNGPOOU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001318804426 1140424637 /nfs/dbraw/zinc/42/46/37/1140424637.db2.gz JCPQQQSYABYGHZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001319617421 1140625306 /nfs/dbraw/zinc/62/53/06/1140625306.db2.gz BLSSTUGLASPNIF-SJLPKXTDSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001319915522 1140802989 /nfs/dbraw/zinc/80/29/89/1140802989.db2.gz KRVBPLUDYQRCIF-OAHLLOKOSA-N 2 0 321.490 2.177 20 30 DEEDRP C=CCCC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001322565784 1141630721 /nfs/dbraw/zinc/63/07/21/1141630721.db2.gz HYLUYEGSVOIGQB-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001323668729 1141875420 /nfs/dbraw/zinc/87/54/20/1141875420.db2.gz BWXZFQNCSHSPGI-ALOPSCKCSA-N 2 0 307.482 2.404 20 30 DEEDRP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001323930438 1141902887 /nfs/dbraw/zinc/90/28/87/1141902887.db2.gz HHJFMWLSMUAHSF-GOSISDBHSA-N 2 0 321.509 2.441 20 30 DEEDRP C#C[C@@](C)(CC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254050378 1143030562 /nfs/dbraw/zinc/03/05/62/1143030562.db2.gz KYOZYNFJYXUBHU-SFHVURJKSA-N 2 0 300.446 2.405 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCSCC2)CC1 ZINC001255097277 1143404897 /nfs/dbraw/zinc/40/48/97/1143404897.db2.gz ZCSJVTAVOOCIKD-UHFFFAOYSA-N 2 0 309.523 2.174 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001340882340 1143479013 /nfs/dbraw/zinc/47/90/13/1143479013.db2.gz XTAYWBDDYOJBGR-NXHRZFHOSA-N 2 0 315.461 2.449 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001341701324 1143673538 /nfs/dbraw/zinc/67/35/38/1143673538.db2.gz OIROUBYLPGJXJZ-ROUUACIJSA-N 2 0 315.461 2.451 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256627132 1143858294 /nfs/dbraw/zinc/85/82/94/1143858294.db2.gz ZSGYRZKXJBLRGB-JKHFOPOESA-N 2 0 320.477 2.438 20 30 DEEDRP N#Cc1ccc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)cc1F ZINC001256686369 1143862520 /nfs/dbraw/zinc/86/25/20/1143862520.db2.gz ODFMYKCQEDUHSW-UHFFFAOYSA-N 2 0 317.408 2.430 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001278963395 1143866548 /nfs/dbraw/zinc/86/65/48/1143866548.db2.gz ALEFRILWNFSDBH-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001258729461 1144036248 /nfs/dbraw/zinc/03/62/48/1144036248.db2.gz VIAXDWBFXRWYEF-MRXNPFEDSA-N 2 0 317.477 2.165 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+]C2CC[NH+](CCC)CC2)CC1 ZINC001258770714 1144040258 /nfs/dbraw/zinc/04/02/58/1144040258.db2.gz NJLABQBALYCONI-UHFFFAOYSA-N 2 0 323.481 2.485 20 30 DEEDRP C#CCCN1CCC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C1=O ZINC001258902482 1144052819 /nfs/dbraw/zinc/05/28/19/1144052819.db2.gz DDBQUAFIDONZFT-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263170021 1144359517 /nfs/dbraw/zinc/35/95/17/1144359517.db2.gz FPMLOXZPCWWMLV-QZTJIDSGSA-N 2 0 315.461 2.308 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805568 1144396835 /nfs/dbraw/zinc/39/68/35/1144396835.db2.gz RCRISJIDYZMTAM-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001264030606 1144444458 /nfs/dbraw/zinc/44/44/58/1144444458.db2.gz UEDXTOUHUQRWHE-HYVNUMGLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001264184683 1144500090 /nfs/dbraw/zinc/50/00/90/1144500090.db2.gz YCAZSCQWBVLMKQ-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001264408553 1144531699 /nfs/dbraw/zinc/53/16/99/1144531699.db2.gz LNKUVSGCRQBEAX-WCXIOVBPSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001265366157 1144698792 /nfs/dbraw/zinc/69/87/92/1144698792.db2.gz JESRYGOBKLODSY-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001265526385 1144709070 /nfs/dbraw/zinc/70/90/70/1144709070.db2.gz ZNQZZEIGRCYCGS-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001265543618 1144710688 /nfs/dbraw/zinc/71/06/88/1144710688.db2.gz OEZVBORFMLMYRY-HLLBOEOZSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265696835 1144730223 /nfs/dbraw/zinc/73/02/23/1144730223.db2.gz KIZICMVFXGNTJG-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266072535 1144802773 /nfs/dbraw/zinc/80/27/73/1144802773.db2.gz WUAFHIVPQLMEPT-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266099372 1144805315 /nfs/dbraw/zinc/80/53/15/1144805315.db2.gz FDIXOXALSNPMJP-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 1144821700 /nfs/dbraw/zinc/82/17/00/1144821700.db2.gz RZXQPOSTUHCFCW-XWTMOSNGSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001280374199 1144837263 /nfs/dbraw/zinc/83/72/63/1144837263.db2.gz OHRCKBKMIFEPRO-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001281969959 1144925496 /nfs/dbraw/zinc/92/54/96/1144925496.db2.gz XTLJMCKHYWWGRS-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001282161064 1145003444 /nfs/dbraw/zinc/00/34/44/1145003444.db2.gz ODFFHIKEPGZTJA-QWHCGFSZSA-N 2 0 300.406 2.315 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001282274721 1145028486 /nfs/dbraw/zinc/02/84/86/1145028486.db2.gz MYTADMXQKZEERA-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001283557254 1145519087 /nfs/dbraw/zinc/51/90/87/1145519087.db2.gz OTGIMBVZFMRLDF-IAGOWNOFSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001284131551 1145805219 /nfs/dbraw/zinc/80/52/19/1145805219.db2.gz QSHLQVVKLAJJSI-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001284819049 1145925930 /nfs/dbraw/zinc/92/59/30/1145925930.db2.gz RDDAHQZFHAPYBV-ABHNRTSZSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491857454 1146922722 /nfs/dbraw/zinc/92/27/22/1146922722.db2.gz SLMUPSGFIUPJEA-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491878082 1146946564 /nfs/dbraw/zinc/94/65/64/1146946564.db2.gz RHOYLPROIPQFTH-CVEARBPZSA-N 2 0 319.493 2.290 20 30 DEEDRP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491947871 1147013768 /nfs/dbraw/zinc/01/37/68/1147013768.db2.gz YMFLMAQZWPKEAC-IAGOWNOFSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001491950468 1147015574 /nfs/dbraw/zinc/01/55/74/1147015574.db2.gz AOHLYSYOOPMDRZ-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001366333593 1147220174 /nfs/dbraw/zinc/22/01/74/1147220174.db2.gz KNVJHCPTHLMRBL-IUODEOHRSA-N 2 0 319.852 2.046 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317205023 1147274885 /nfs/dbraw/zinc/27/48/85/1147274885.db2.gz OTKLNPDYFPJMNU-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316997426 1147646543 /nfs/dbraw/zinc/64/65/43/1147646543.db2.gz FIJJTTOFWMGGOU-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317502937 1147716577 /nfs/dbraw/zinc/71/65/77/1147716577.db2.gz VJXHBAIVCLRUFD-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317721014 1147746971 /nfs/dbraw/zinc/74/69/71/1147746971.db2.gz QTGDFYUUHUWOQC-QZTJIDSGSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317781412 1147751523 /nfs/dbraw/zinc/75/15/23/1147751523.db2.gz CSNQSAAAHGUDAD-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001325945812 1148023176 /nfs/dbraw/zinc/02/31/76/1148023176.db2.gz JDOAPEGYKMGRPZ-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001325955957 1148024793 /nfs/dbraw/zinc/02/47/93/1148024793.db2.gz NRXIAVMJNUXEJB-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001368194445 1148317564 /nfs/dbraw/zinc/31/75/64/1148317564.db2.gz HUQUDYGQEOOLGI-MRXNPFEDSA-N 2 0 315.889 2.299 20 30 DEEDRP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000181690197 199339521 /nfs/dbraw/zinc/33/95/21/199339521.db2.gz ALRYGAMHUKJDSE-HZPDHXFCSA-N 2 0 300.450 2.092 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C)cc2C[NH+](C)C)CC1 ZINC000072841190 354924468 /nfs/dbraw/zinc/92/44/68/354924468.db2.gz CYVPVTFIRDJFGV-UHFFFAOYSA-N 2 0 313.445 2.340 20 30 DEEDRP CC(C)C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000083030697 355461527 /nfs/dbraw/zinc/46/15/27/355461527.db2.gz JQFYNMALBNZCKS-ZBFHGGJFSA-N 2 0 318.465 2.391 20 30 DEEDRP CC[NH+](CC)CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083029659 355461860 /nfs/dbraw/zinc/46/18/60/355461860.db2.gz XDROEHINJRXYDL-HNNXBMFYSA-N 2 0 304.438 2.146 20 30 DEEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000180998770 199238526 /nfs/dbraw/zinc/23/85/26/199238526.db2.gz QNMHNCWHJBCZPQ-HXUWFJFHSA-N 2 0 321.424 2.415 20 30 DEEDRP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000291663578 404469610 /nfs/dbraw/zinc/46/96/10/404469610.db2.gz FKICVKOUMIUNQQ-HNNXBMFYSA-N 2 0 300.450 2.314 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000601317371 360005176 /nfs/dbraw/zinc/00/51/76/360005176.db2.gz BHSOSMDWCKDVHD-QGZVFWFLSA-N 2 0 322.497 2.199 20 30 DEEDRP COCCC[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602526185 360417529 /nfs/dbraw/zinc/41/75/29/360417529.db2.gz DCAQYQKNEVGODW-MRXNPFEDSA-N 2 0 323.481 2.176 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271908097 209315032 /nfs/dbraw/zinc/31/50/32/209315032.db2.gz CRZDPTPCNWJTQY-HNNXBMFYSA-N 2 0 318.440 2.376 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000085403139 401915694 /nfs/dbraw/zinc/91/56/94/401915694.db2.gz SWOCHVZHAQPPGB-RDJZCZTQSA-N 2 0 322.497 2.009 20 30 DEEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465627 402125600 /nfs/dbraw/zinc/12/56/00/402125600.db2.gz IXFWIFKKFVLSSK-QGZVFWFLSA-N 2 0 300.450 2.468 20 30 DEEDRP COCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000161507344 402389698 /nfs/dbraw/zinc/38/96/98/402389698.db2.gz FVMKERPQUDWYPE-HNNXBMFYSA-N 2 0 318.465 2.112 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC(C)C ZINC000170910893 402540830 /nfs/dbraw/zinc/54/08/30/402540830.db2.gz WXWSMFWAOSKYBT-MRXNPFEDSA-N 2 0 318.465 2.362 20 30 DEEDRP C[NH+]=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CC1 ZINC000171411437 402585634 /nfs/dbraw/zinc/58/56/34/402585634.db2.gz VHTSUENKOGZIPE-UHFFFAOYSA-N 2 0 300.450 2.226 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000171730188 402615642 /nfs/dbraw/zinc/61/56/42/402615642.db2.gz PFTNDMLUHISKSJ-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277179007 403197961 /nfs/dbraw/zinc/19/79/61/403197961.db2.gz CKWAUMYLISZYIX-OAHLLOKOSA-N 2 0 318.465 2.477 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000345747058 403467345 /nfs/dbraw/zinc/46/73/45/403467345.db2.gz AZCDUQLDJQCICF-HZPDHXFCSA-N 2 0 322.497 2.151 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000294027498 403628265 /nfs/dbraw/zinc/62/82/65/403628265.db2.gz HFABJPJUYCSELK-GVDBMIGSSA-N 2 0 307.482 2.319 20 30 DEEDRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1C#N ZINC000362955702 404024460 /nfs/dbraw/zinc/02/44/60/404024460.db2.gz SURSGXKWSUAQKS-UHFFFAOYSA-N 2 0 313.445 2.411 20 30 DEEDRP C=CCC[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000356064723 404389815 /nfs/dbraw/zinc/38/98/15/404389815.db2.gz IPUWEGQSTHGYHQ-HZPDHXFCSA-N 2 0 319.449 2.464 20 30 DEEDRP C=CC[C@H]1[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCC1(C)C ZINC000414760260 404726740 /nfs/dbraw/zinc/72/67/40/404726740.db2.gz QDGAUTAKXWCVIY-JKSUJKDBSA-N 2 0 307.482 2.250 20 30 DEEDRP C=CCOc1ccc(CN2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000353913976 404971902 /nfs/dbraw/zinc/97/19/02/404971902.db2.gz JQEOCEDURYMUPN-UHFFFAOYSA-N 2 0 312.417 2.292 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)C(C)C ZINC000417072801 405027164 /nfs/dbraw/zinc/02/71/64/405027164.db2.gz XHLUIINPPKBLNH-IXDOHACOSA-N 2 0 322.497 2.064 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000424178847 405031329 /nfs/dbraw/zinc/03/13/29/405031329.db2.gz XOJYNBTUAHZVMG-KRWDZBQOSA-N 2 0 320.481 2.122 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)C(C)C ZINC000426417743 405358956 /nfs/dbraw/zinc/35/89/56/405358956.db2.gz CCCJILJLKIALAG-MSOLQXFVSA-N 2 0 319.493 2.428 20 30 DEEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423452584 405809997 /nfs/dbraw/zinc/80/99/97/405809997.db2.gz JWNDPWJLOZCTGL-NUJGCVRESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000562773519 406055743 /nfs/dbraw/zinc/05/57/43/406055743.db2.gz WTWWHRVKYYHZBH-UHFFFAOYSA-N 2 0 300.406 2.062 20 30 DEEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001355067123 1151977516 /nfs/dbraw/zinc/97/75/16/1151977516.db2.gz QJYHJIGNSRANSG-WBVHZDCISA-N 2 0 320.481 2.026 20 30 DEEDRP C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(OCC#N)cc1 ZINC000834849664 649854132 /nfs/dbraw/zinc/85/41/32/649854132.db2.gz DUNFDNLRIKZNHI-RDJZCZTQSA-N 2 0 317.433 2.086 20 30 DEEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563850 424833906 /nfs/dbraw/zinc/83/39/06/424833906.db2.gz AJELFCCTIALPTC-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000650852113 425066511 /nfs/dbraw/zinc/06/65/11/425066511.db2.gz QUULZEKVUDOAGP-UHFFFAOYSA-N 2 0 324.513 2.304 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC(C)(C)C[N@@H+](C)CCC)CC1 ZINC000664019995 425290026 /nfs/dbraw/zinc/29/00/26/425290026.db2.gz PPGLHNBEFCEXSZ-UHFFFAOYSA-N 2 0 310.486 2.056 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C(C)C ZINC000655444351 425567136 /nfs/dbraw/zinc/56/71/36/425567136.db2.gz COUIIBQSWVNYDQ-YQVWRLOYSA-N 2 0 319.493 2.191 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)C(C)C ZINC000417072864 277851222 /nfs/dbraw/zinc/85/12/22/277851222.db2.gz XOODZKWYYVHTPU-MRXNPFEDSA-N 2 0 322.497 2.126 20 30 DEEDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000362032552 278373140 /nfs/dbraw/zinc/37/31/40/278373140.db2.gz NLRZCSUMCAGKGX-CRAIPNDOSA-N 2 0 312.461 2.377 20 30 DEEDRP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCC[NH2+]1 ZINC000576861308 326324754 /nfs/dbraw/zinc/32/47/54/326324754.db2.gz VBUIEFZDFHHHGG-YJNKEBTESA-N 2 0 314.433 2.373 20 30 DEEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001329765324 1148991168 /nfs/dbraw/zinc/99/11/68/1148991168.db2.gz NIMSPWQKYDEDEL-ROUUACIJSA-N 2 0 321.509 2.203 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001378444499 1152331452 /nfs/dbraw/zinc/33/14/52/1152331452.db2.gz NADRFJMXKVTGLE-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001329935712 1149018450 /nfs/dbraw/zinc/01/84/50/1149018450.db2.gz GKZAGPPYTYTMER-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329938235 1149020099 /nfs/dbraw/zinc/02/00/99/1149020099.db2.gz PNIYMEDBRZPDHD-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C[NH+]=C(NCC1(C2CC2)CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261961267 526350830 /nfs/dbraw/zinc/35/08/30/526350830.db2.gz KGJICIYCAKNBTF-CZUORRHYSA-N 2 0 304.482 2.214 20 30 DEEDRP C[NH+]=C(NCc1ccc(C)s1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262014120 526382669 /nfs/dbraw/zinc/38/26/69/526382669.db2.gz XJFOYQIRWIYKDX-NHYWBVRUSA-N 2 0 306.479 2.204 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000267436130 529073821 /nfs/dbraw/zinc/07/38/21/529073821.db2.gz NUWWQIIYHHYSKD-ZIAGYGMSSA-N 2 0 308.495 2.315 20 30 DEEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696938 625393383 /nfs/dbraw/zinc/39/33/83/625393383.db2.gz YZJDZMUUZUVCHC-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763728 625428186 /nfs/dbraw/zinc/42/81/86/625428186.db2.gz ZPHONCYLXIFPSW-MRXNPFEDSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001026505391 625487271 /nfs/dbraw/zinc/48/72/71/625487271.db2.gz BYHBJJUWNSXKAY-GTPINHCMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001026571597 625530952 /nfs/dbraw/zinc/53/09/52/625530952.db2.gz CPUZJUNYDDWYMY-KLAILNCOSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000969458267 622781705 /nfs/dbraw/zinc/78/17/05/622781705.db2.gz NZLJODBJKGNLAV-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970316461 623395772 /nfs/dbraw/zinc/39/57/72/623395772.db2.gz DCLIUJFIXVFPJE-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666390 623922003 /nfs/dbraw/zinc/92/20/03/623922003.db2.gz TVECMKGIJXJAIF-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681672 623951626 /nfs/dbraw/zinc/95/16/26/623951626.db2.gz IOHPJUUFHDBOCH-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202417 624497544 /nfs/dbraw/zinc/49/75/44/624497544.db2.gz YYDITESHPIULKT-HLLBOEOZSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC000998845126 634423295 /nfs/dbraw/zinc/42/32/95/634423295.db2.gz ZNBYZYFSNBTMKY-UHFFFAOYSA-N 2 0 307.463 2.188 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342019 625221046 /nfs/dbraw/zinc/22/10/46/625221046.db2.gz CWPQEBWWXNWJHT-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP 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 625772769 /nfs/dbraw/zinc/77/27/69/625772769.db2.gz FDJHCPBGYOQAAD-XSDHEKCYSA-N 2 0 307.482 2.384 20 30 DEEDRP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024615677 625934833 /nfs/dbraw/zinc/93/48/33/625934833.db2.gz YVUIPMPPDHKLTL-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024615676 625934966 /nfs/dbraw/zinc/93/49/66/625934966.db2.gz YVUIPMPPDHKLTL-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000260189 634828604 /nfs/dbraw/zinc/82/86/04/634828604.db2.gz KWGCFTZYHAXPAQ-NVXWUHKLSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024692570 632924114 /nfs/dbraw/zinc/92/41/14/632924114.db2.gz OYFHFPNRIZETPJ-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024739034 632959567 /nfs/dbraw/zinc/95/95/67/632959567.db2.gz WULNSXOTXXXTRU-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995911914 633141969 /nfs/dbraw/zinc/14/19/69/633141969.db2.gz BQFPGYBFHYQPMT-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996194256 633210347 /nfs/dbraw/zinc/21/03/47/633210347.db2.gz GMTDWAIUUFNROM-HRCADAONSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996299935 633232341 /nfs/dbraw/zinc/23/23/41/633232341.db2.gz HCGYAGWJSVEPGT-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000996526184 633274902 /nfs/dbraw/zinc/27/49/02/633274902.db2.gz ZFJWHSVXTHSFMA-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC000996672360 633345991 /nfs/dbraw/zinc/34/59/91/633345991.db2.gz FRFJCRCTKMGPRY-JKSUJKDBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975045055 633397411 /nfs/dbraw/zinc/39/74/11/633397411.db2.gz YIFUUWMJZFCIHC-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996977055 633551057 /nfs/dbraw/zinc/55/10/57/633551057.db2.gz GQWXWAWIGPAYFG-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997062024 633566385 /nfs/dbraw/zinc/56/63/85/633566385.db2.gz LABHEBQMSNUWJP-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997161596 633658553 /nfs/dbraw/zinc/65/85/53/633658553.db2.gz DRKCBXZZESDZKK-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997433857 633755565 /nfs/dbraw/zinc/75/55/65/633755565.db2.gz KBNCQIASZFLUCZ-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505109 633915303 /nfs/dbraw/zinc/91/53/03/633915303.db2.gz KEJYHKFTJONBBM-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997786551 633975445 /nfs/dbraw/zinc/97/54/45/633975445.db2.gz LOHZFNHCJYGFQB-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175357 634161198 /nfs/dbraw/zinc/16/11/98/634161198.db2.gz BYQSGQGKIJPTIT-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893116 634891594 /nfs/dbraw/zinc/89/15/94/634891594.db2.gz NEXVDWZFBBRBOP-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001000334875 635145346 /nfs/dbraw/zinc/14/53/46/635145346.db2.gz IBAZFMHCXMIYJN-UONOGXRCSA-N 2 0 310.829 2.167 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001000695933 635269251 /nfs/dbraw/zinc/26/92/51/635269251.db2.gz LPADAMHSXNIFCX-DLBZAZTESA-N 2 0 305.466 2.041 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000991609 635383463 /nfs/dbraw/zinc/38/34/63/635383463.db2.gz IQJOIBLMWBTYFI-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001001528025 635522649 /nfs/dbraw/zinc/52/26/49/635522649.db2.gz MMHRGVSGMYIUQA-UHFFFAOYSA-N 2 0 319.493 2.267 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001001569291 635527707 /nfs/dbraw/zinc/52/77/07/635527707.db2.gz JJKYYOPLABKLKE-UHFFFAOYSA-N 2 0 324.428 2.108 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001768843 635551804 /nfs/dbraw/zinc/55/18/04/635551804.db2.gz FYGOZHSMZPLYGP-UHFFFAOYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000981816308 635667713 /nfs/dbraw/zinc/66/77/13/635667713.db2.gz WHXISEVJVKDDPA-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002813021 635805023 /nfs/dbraw/zinc/80/50/23/635805023.db2.gz VWUWNYMBZGBOQZ-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116072 635874824 /nfs/dbraw/zinc/87/48/24/635874824.db2.gz FHRGCOPTJDLWSJ-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982300427 635956999 /nfs/dbraw/zinc/95/69/99/635956999.db2.gz ZIVMQQPSWMRKRC-QRQLOZEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028251700 635960398 /nfs/dbraw/zinc/96/03/98/635960398.db2.gz JWIPVOAXDCOXAT-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001003939360 636091943 /nfs/dbraw/zinc/09/19/43/636091943.db2.gz PDZNVWXTWUAEHS-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004210743 636228984 /nfs/dbraw/zinc/22/89/84/636228984.db2.gz ZZGDOVLVBNFNQO-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579549 636371754 /nfs/dbraw/zinc/37/17/54/636371754.db2.gz GVXBKDKFHHTEJT-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004472312 636464332 /nfs/dbraw/zinc/46/43/32/636464332.db2.gz GGMQXBLNJLEUIO-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631639 636494559 /nfs/dbraw/zinc/49/45/59/636494559.db2.gz RJWTXYKJUDTDKF-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642715 636517353 /nfs/dbraw/zinc/51/73/53/636517353.db2.gz QHVPYDHHTGMQQB-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001005883146 636929408 /nfs/dbraw/zinc/92/94/08/636929408.db2.gz FLVWBRFCWVSMJW-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011648 636951541 /nfs/dbraw/zinc/95/15/41/636951541.db2.gz BQAMWBXVTASTNI-HNNXBMFYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946856845 636955560 /nfs/dbraw/zinc/95/55/60/636955560.db2.gz QXIGXIDBYJAFFT-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCN(C)CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000894640196 637145279 /nfs/dbraw/zinc/14/52/79/637145279.db2.gz YFRPGMIXEWUYLB-UHFFFAOYSA-N 2 0 305.369 2.293 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001006085924 637179708 /nfs/dbraw/zinc/17/97/08/637179708.db2.gz HFYQIXIZQCCQJI-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006117231 637214829 /nfs/dbraw/zinc/21/48/29/637214829.db2.gz UYIISXHYUZHAHM-IRXDYDNUSA-N 2 0 305.466 2.112 20 30 DEEDRP C[C@@H](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000895291722 637891462 /nfs/dbraw/zinc/89/14/62/637891462.db2.gz BYRNYBHSJHWLKF-HNNXBMFYSA-N 2 0 300.450 2.457 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000985734847 639608083 /nfs/dbraw/zinc/60/80/83/639608083.db2.gz MGXQUPSETMBYFR-UHFFFAOYSA-N 2 0 307.482 2.216 20 30 DEEDRP C[C@@H]1CNC(NN=C2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)=[NH+]1 ZINC000841633318 650527248 /nfs/dbraw/zinc/52/72/48/650527248.db2.gz KOGQLUMFCQIXCX-DYVFJYSZSA-N 2 0 311.433 2.279 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000987553394 640219241 /nfs/dbraw/zinc/21/92/41/640219241.db2.gz UORVBRRPQMITOX-WMLDXEAASA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000900655409 642435343 /nfs/dbraw/zinc/43/53/43/642435343.db2.gz IZNHYXCSXHDDDT-INIZCTEOSA-N 2 0 303.450 2.131 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000901233435 642601645 /nfs/dbraw/zinc/60/16/45/642601645.db2.gz LYKUPKIBLFSJAT-DLBZAZTESA-N 2 0 301.434 2.056 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000780353759 642615353 /nfs/dbraw/zinc/61/53/53/642615353.db2.gz GZJMWTPNTOIMHJ-ZWKOTPCHSA-N 2 0 314.429 2.320 20 30 DEEDRP C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C#N)ccn1 ZINC000902801608 643142290 /nfs/dbraw/zinc/14/22/90/643142290.db2.gz CBASVDJVHMENMR-WMLDXEAASA-N 2 0 314.433 2.247 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906598010 644299766 /nfs/dbraw/zinc/29/97/66/644299766.db2.gz SNOVCERDSOJTMK-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CCC[NH+]1CCN(c2ccccc2C=[NH+]N(C)CCOC)CC1 ZINC000794962969 644500272 /nfs/dbraw/zinc/50/02/72/644500272.db2.gz DZPXUTMVAMFLCD-UHFFFAOYSA-N 2 0 318.465 2.131 20 30 DEEDRP C=CCN1CCN(C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)C1=O ZINC000839996976 645632346 /nfs/dbraw/zinc/63/23/46/645632346.db2.gz BVPONMUIEVXWSX-UHFFFAOYSA-N 2 0 322.497 2.311 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775714 646627139 /nfs/dbraw/zinc/62/71/39/646627139.db2.gz PCUPNPNQGDTURM-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991866047 646676019 /nfs/dbraw/zinc/67/60/19/646676019.db2.gz ZFXPDDWQTOUYDE-MJGOQNOKSA-N 2 0 322.412 2.084 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992120365 646861864 /nfs/dbraw/zinc/86/18/64/646861864.db2.gz BMMJVDYTQGTTRM-DWRORGKVSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992288787 646930702 /nfs/dbraw/zinc/93/07/02/646930702.db2.gz SNECTZFVZKUSHO-PKOBYXMFSA-N 2 0 319.493 2.408 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261998973 647161090 /nfs/dbraw/zinc/16/10/90/647161090.db2.gz TWJFNMUCYPMOLP-ZMSDIMECSA-N 2 0 304.482 2.381 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC000992833909 647295914 /nfs/dbraw/zinc/29/59/14/647295914.db2.gz MKKVHFJFMSBOCE-FGTMMUONSA-N 2 0 319.493 2.121 20 30 DEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000818968506 647552555 /nfs/dbraw/zinc/55/25/55/647552555.db2.gz CKFNFHSVSZHTNS-KRWDZBQOSA-N 2 0 301.434 2.444 20 30 DEEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819151979 647595079 /nfs/dbraw/zinc/59/50/79/647595079.db2.gz JPJQVJCYZAKDQC-FUHWJXTLSA-N 2 0 301.434 2.159 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940745765 648933225 /nfs/dbraw/zinc/93/32/25/648933225.db2.gz USQDFRSBGAQXKE-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896817 648964625 /nfs/dbraw/zinc/96/46/25/648964625.db2.gz YPPISLDTGWEUDT-QGZVFWFLSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942173939 649174665 /nfs/dbraw/zinc/17/46/65/649174665.db2.gz SNSJYXRTVHIOCO-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257921 649192070 /nfs/dbraw/zinc/19/20/70/649192070.db2.gz MUWZSIDMMHHLBG-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558226 649244683 /nfs/dbraw/zinc/24/46/83/649244683.db2.gz TZXUZRRAMKOIJJ-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047662 649475263 /nfs/dbraw/zinc/47/52/63/649475263.db2.gz UYPURBAWDIFDQS-MAUKXSAKSA-N 2 0 319.493 2.121 20 30 DEEDRP C[NH+]=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CC1 ZINC000848983207 651570315 /nfs/dbraw/zinc/57/03/15/651570315.db2.gz ZSTXRGFZKVDNRO-UHFFFAOYSA-N 2 0 300.450 2.500 20 30 DEEDRP CCC1(CNC(NC)=[NH+]C)CC[NH+](Cc2ccccc2)CC1 ZINC000848990705 651573189 /nfs/dbraw/zinc/57/31/89/651573189.db2.gz YLOHFRVCONMJSG-UHFFFAOYSA-N 2 0 302.466 2.474 20 30 DEEDRP C[NH+]=C(NCCCC[N@@H+]1CCC[C@H](C)C1)NCc1ccco1 ZINC000848989939 651573193 /nfs/dbraw/zinc/57/31/93/651573193.db2.gz MRZKLWRDGBPPIF-HNNXBMFYSA-N 2 0 306.454 2.457 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304781496 685260577 /nfs/dbraw/zinc/26/05/77/685260577.db2.gz GITKTWUBPKABPB-NVXWUHKLSA-N 2 0 302.466 2.487 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304781499 685260939 /nfs/dbraw/zinc/26/09/39/685260939.db2.gz GITKTWUBPKABPB-WBVHZDCISA-N 2 0 302.466 2.487 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(C)cc1 ZINC000304764027 685261055 /nfs/dbraw/zinc/26/10/55/685261055.db2.gz XLARDARTSLFJBY-HZPDHXFCSA-N 2 0 318.465 2.151 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000156278991 684287653 /nfs/dbraw/zinc/28/76/53/684287653.db2.gz WMZUVNAAPJNIOX-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1Cc2ccccc2C1 ZINC000158317868 684297082 /nfs/dbraw/zinc/29/70/82/684297082.db2.gz TTZIPIJUSVJQFE-SFHVURJKSA-N 2 0 314.477 2.180 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054159800 693867148 /nfs/dbraw/zinc/86/71/48/693867148.db2.gz ODZQCULONLLLPA-GOSISDBHSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000261984625 685200146 /nfs/dbraw/zinc/20/01/46/685200146.db2.gz JIAFMSUFXPXOQA-UHFFFAOYSA-N 2 0 300.450 2.304 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1Cl ZINC000303792886 685235365 /nfs/dbraw/zinc/23/53/65/685235365.db2.gz YUPRZVNYXPAQSM-CQSZACIVSA-N 2 0 308.857 2.271 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NCC[NH+]2CCC(C)CC2)c1 ZINC000303891309 685237555 /nfs/dbraw/zinc/23/75/55/685237555.db2.gz MZWVEGCIBKWRJQ-UHFFFAOYSA-N 2 0 320.437 2.162 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCCC[C@@H]1C ZINC000303907778 685239861 /nfs/dbraw/zinc/23/98/61/685239861.db2.gz XAZBVXHMJLYFRF-DLBZAZTESA-N 3 0 323.529 2.030 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001054929408 694073894 /nfs/dbraw/zinc/07/38/94/694073894.db2.gz FZUJYWBACPODNJ-CRAIPNDOSA-N 2 0 315.461 2.027 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001015972260 687486532 /nfs/dbraw/zinc/48/65/32/687486532.db2.gz IMNONKAADOKZCO-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C[NH2+]CCC1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866661201 687644062 /nfs/dbraw/zinc/64/40/62/687644062.db2.gz PZPQTISZXQLPSX-KRWDZBQOSA-N 2 0 315.417 2.094 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016689427 687683237 /nfs/dbraw/zinc/68/32/37/687683237.db2.gz ZXHYRHRNGJUCPE-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016828055 687712215 /nfs/dbraw/zinc/71/22/15/687712215.db2.gz CEQUQWMCRYYUDY-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860961 687721079 /nfs/dbraw/zinc/72/10/79/687721079.db2.gz LHKDQHMREYLXFX-SJORKVTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001017600374 687921198 /nfs/dbraw/zinc/92/11/98/687921198.db2.gz IMXCAPBZWDFAAQ-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001026496829 688529186 /nfs/dbraw/zinc/52/91/86/688529186.db2.gz XAHGDSSNTUUEHP-XSCHDIRWSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541660 688541414 /nfs/dbraw/zinc/54/14/14/688541414.db2.gz CWLHTHYFXVUKMF-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000872228943 688958268 /nfs/dbraw/zinc/95/82/68/688958268.db2.gz MYPRYTRHWGOKEN-ADKAHSJRSA-N 2 0 301.434 2.444 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129361 689067949 /nfs/dbraw/zinc/06/79/49/689067949.db2.gz WRLRXUFQCHKIAV-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032207368 689082866 /nfs/dbraw/zinc/08/28/66/689082866.db2.gz OGEWKSARVRSGKK-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803890 689265471 /nfs/dbraw/zinc/26/54/71/689265471.db2.gz PMSMTYKOKFFXBA-BZSNNMDCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCCCCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875703802 689678093 /nfs/dbraw/zinc/67/80/93/689678093.db2.gz DRBSKWKGMPPEQT-IAGOWNOFSA-N 2 0 324.513 2.114 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285336 689794554 /nfs/dbraw/zinc/79/45/54/689794554.db2.gz BTAJXABKCKQPJD-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034367186 689825193 /nfs/dbraw/zinc/82/51/93/689825193.db2.gz FJBBVANKOFMBOI-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000876708808 689910885 /nfs/dbraw/zinc/91/08/85/689910885.db2.gz BHJUWFMQETVHLB-KBPBESRZSA-N 2 0 313.804 2.015 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000876722508 689915100 /nfs/dbraw/zinc/91/51/00/689915100.db2.gz WXZJFNXPDRJEKR-LSDHHAIUSA-N 2 0 315.889 2.329 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001034748142 689939867 /nfs/dbraw/zinc/93/98/67/689939867.db2.gz QFCIXZNCLOKVAX-QAQDUYKDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001034754281 689941012 /nfs/dbraw/zinc/94/10/12/689941012.db2.gz YKZFFYRJLLRFEP-VQHPVUNQSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000876913986 689971467 /nfs/dbraw/zinc/97/14/67/689971467.db2.gz AOQUXEYVLAVUPV-SNVBAGLBSA-N 2 0 314.842 2.019 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035227050 690066389 /nfs/dbraw/zinc/06/63/89/690066389.db2.gz NGNLWOFEJVHZED-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035227639 690067094 /nfs/dbraw/zinc/06/70/94/690067094.db2.gz TYMNALCQARWMDK-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000877298854 690070169 /nfs/dbraw/zinc/07/01/69/690070169.db2.gz CXEOQOVSACNHJF-INIZCTEOSA-N 2 0 320.481 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035708613 690157414 /nfs/dbraw/zinc/15/74/14/690157414.db2.gz XUWRXPCVPGEPJL-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035726510 690162486 /nfs/dbraw/zinc/16/24/86/690162486.db2.gz BHBLUESXCMJCDN-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035795678 690178264 /nfs/dbraw/zinc/17/82/64/690178264.db2.gz XOKGKEYTBDJVOX-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035798241 690179070 /nfs/dbraw/zinc/17/90/70/690179070.db2.gz LKHPFPQOFCIKTM-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001036153226 690276740 /nfs/dbraw/zinc/27/67/40/690276740.db2.gz WEWDKJSLOMXCCK-GOEBONIOSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755300 690460336 /nfs/dbraw/zinc/46/03/36/690460336.db2.gz UEJPCLLRLOGEIJ-MAUKXSAKSA-N 2 0 324.428 2.365 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001037981888 690656187 /nfs/dbraw/zinc/65/61/87/690656187.db2.gz HKEYWNRVNJCKAG-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174425 691040162 /nfs/dbraw/zinc/04/01/62/691040162.db2.gz VKVZXVHJTXXJQU-WMZOPIPTSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039285412 691074902 /nfs/dbraw/zinc/07/49/02/691074902.db2.gz NYAYYYLDQQHNEV-ALOPSCKCSA-N 2 0 322.412 2.083 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039386370 691094886 /nfs/dbraw/zinc/09/48/86/691094886.db2.gz LZCLYVJRUMQBOB-CVEARBPZSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039394353 691097038 /nfs/dbraw/zinc/09/70/38/691097038.db2.gz WDDKUPKPEMAIFN-IXDOHACOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406536 691100110 /nfs/dbraw/zinc/10/01/10/691100110.db2.gz XOFPPJAGJFCVBV-WBVHZDCISA-N 2 0 310.401 2.199 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041373798 691368172 /nfs/dbraw/zinc/36/81/72/691368172.db2.gz XSKJRRVEJWJPHN-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433588 691375172 /nfs/dbraw/zinc/37/51/72/691375172.db2.gz ZVVOXVOJKWZUPW-HKUYNNGSSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041475311 691381510 /nfs/dbraw/zinc/38/15/10/691381510.db2.gz KUHHSLJXASIKPC-SFHVURJKSA-N 2 0 310.401 2.058 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598759 691398989 /nfs/dbraw/zinc/39/89/89/691398989.db2.gz CCPKVAGPIOYPMT-LNLFQRSKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644104 691404883 /nfs/dbraw/zinc/40/48/83/691404883.db2.gz AZMTZZNESNNCAS-AEFFLSMTSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256774 691550409 /nfs/dbraw/zinc/55/04/09/691550409.db2.gz ZMMNDJOWDOVDDP-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921229 692052312 /nfs/dbraw/zinc/05/23/12/692052312.db2.gz IEXQIARUIYAKFY-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943343 692059411 /nfs/dbraw/zinc/05/94/11/692059411.db2.gz IICYRHAQIWMJRI-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCn1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)nn1 ZINC000886628096 692138930 /nfs/dbraw/zinc/13/89/30/692138930.db2.gz FRJPQOIMJGWEQA-UHFFFAOYSA-N 2 0 303.454 2.351 20 30 DEEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626879 692242642 /nfs/dbraw/zinc/24/26/42/692242642.db2.gz WBLLSBCETFHWHN-LJQANCHMSA-N 2 0 315.461 2.171 20 30 DEEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001046738879 692279055 /nfs/dbraw/zinc/27/90/55/692279055.db2.gz DHZHKWYRYZYGJS-IBGZPJMESA-N 2 0 322.412 2.090 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049480511 692895878 /nfs/dbraw/zinc/89/58/78/692895878.db2.gz FOZLJWSDBTXADM-BSDSXHPESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568765 692924340 /nfs/dbraw/zinc/92/43/40/692924340.db2.gz WERSTRCQAFESDE-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719840 692975187 /nfs/dbraw/zinc/97/51/87/692975187.db2.gz UIOMYZFTRCGXMT-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051489 693093531 /nfs/dbraw/zinc/09/35/31/693093531.db2.gz ZAVZWPPNIHLPMM-WNRNVDISSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001050068799 693099805 /nfs/dbraw/zinc/09/98/05/693099805.db2.gz JGHAXCFTCVZCDO-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050564627 693207839 /nfs/dbraw/zinc/20/78/39/693207839.db2.gz SOIIVUALTAYDMK-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001050591243 693212923 /nfs/dbraw/zinc/21/29/23/693212923.db2.gz DDUUNRXUNCOBDV-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)CC2)c1 ZINC000925702140 693326868 /nfs/dbraw/zinc/32/68/68/693326868.db2.gz LZLITPOYJWDAFP-RBUKOAKNSA-N 2 0 324.472 2.382 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052712003 693601068 /nfs/dbraw/zinc/60/10/68/693601068.db2.gz CMGDDFGBVSDTFZ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837179 693629268 /nfs/dbraw/zinc/62/92/68/693629268.db2.gz NNFBMXPEAVKJRP-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838023 693629785 /nfs/dbraw/zinc/62/97/85/693629785.db2.gz ZCZVGHKHGYDOPG-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001402896762 1162521940 /nfs/dbraw/zinc/52/19/40/1162521940.db2.gz XWRWEAXXLZMHFO-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001403042575 1162653196 /nfs/dbraw/zinc/65/31/96/1162653196.db2.gz NEPOYEIWHAZFKU-UHFFFAOYSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001403564563 1163006182 /nfs/dbraw/zinc/00/61/82/1163006182.db2.gz GQWHFZXWNGJBKM-GFCCVEGCSA-N 2 0 320.824 2.445 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001376615383 1159603440 /nfs/dbraw/zinc/60/34/40/1159603440.db2.gz KPSPAXMGCQSBNS-SHTZXODSSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001406981921 1164901462 /nfs/dbraw/zinc/90/14/62/1164901462.db2.gz RGHSVUYQMNOMAD-UHFFFAOYSA-N 2 0 321.852 2.353 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001419375615 1168430546 /nfs/dbraw/zinc/43/05/46/1168430546.db2.gz OEUQTLLWJRQXIH-HDJSIYSDSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001437921901 1180081190 /nfs/dbraw/zinc/08/11/90/1180081190.db2.gz HWOGYXPEDGGYIV-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001441096006 1181846415 /nfs/dbraw/zinc/84/64/15/1181846415.db2.gz ZLPFRXRPRXVELB-CABCVRRESA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001441350577 1181952959 /nfs/dbraw/zinc/95/29/59/1181952959.db2.gz HNBLIOSEFHJZBE-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001122210692 782477945 /nfs/dbraw/zinc/47/79/45/782477945.db2.gz OXPAWYPIVFVLFO-DOTOQJQBSA-N 2 0 307.482 2.298 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106353630 782667915 /nfs/dbraw/zinc/66/79/15/782667915.db2.gz AQMSBGMQBHPLOW-UKRRQHHQSA-N 2 0 312.417 2.126 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336816 782785445 /nfs/dbraw/zinc/78/54/45/782785445.db2.gz YIXSYQSPQNQEFN-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C3([NH3+])CC3)cc2)cc1 ZINC001170985650 790380767 /nfs/dbraw/zinc/38/07/67/790380767.db2.gz VCPMGOUOPXGBIK-UHFFFAOYSA-N 2 0 309.369 2.458 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001136601911 790397879 /nfs/dbraw/zinc/39/78/79/790397879.db2.gz NTHTXNQLCYQKKT-UHFFFAOYSA-N 2 0 303.450 2.215 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035184 790406553 /nfs/dbraw/zinc/40/65/53/790406553.db2.gz AOXZVFPJTGTXBH-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001073035817 790409354 /nfs/dbraw/zinc/40/93/54/790409354.db2.gz VFAAEOPXSYMSBU-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237087 776789820 /nfs/dbraw/zinc/78/98/20/776789820.db2.gz UIDFSBNITADCOO-CVEARBPZSA-N 2 0 307.482 2.026 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385934 776979971 /nfs/dbraw/zinc/97/99/71/776979971.db2.gz ZILUBBOYODMLRV-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104376373 777174940 /nfs/dbraw/zinc/17/49/40/777174940.db2.gz BQDZIMBCQJYJKZ-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522087 777695673 /nfs/dbraw/zinc/69/56/73/777695673.db2.gz DWQGCWGIAVWYAL-HKUYNNGSSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529855 778608328 /nfs/dbraw/zinc/60/83/28/778608328.db2.gz RRMAILMFYZWJMJ-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749294 779434663 /nfs/dbraw/zinc/43/46/63/779434663.db2.gz DBFGVNUYDBVWIB-KSZLIROESA-N 2 0 319.493 2.242 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170481 779746969 /nfs/dbraw/zinc/74/69/69/779746969.db2.gz STPHSVISEYTJCU-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311837 779935894 /nfs/dbraw/zinc/93/58/94/779935894.db2.gz IEAMJRKVRIJRHJ-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876415 780048349 /nfs/dbraw/zinc/04/83/49/780048349.db2.gz PUIDIRLNOLFLEY-OKZBNKHCSA-N 2 0 319.493 2.073 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCC)C2)CC1 ZINC001088430368 780115021 /nfs/dbraw/zinc/11/50/21/780115021.db2.gz NPKXFLROUFSBPT-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561749 780764749 /nfs/dbraw/zinc/76/47/49/780764749.db2.gz QYUKBUOVVZMHFF-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)[C@@H](C)C2)CC1 ZINC000948069523 783310876 /nfs/dbraw/zinc/31/08/76/783310876.db2.gz IGUWHHNCPUSZIU-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905482 783334958 /nfs/dbraw/zinc/33/49/58/783334958.db2.gz SBNMCZPKOXTNLF-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090404 783881012 /nfs/dbraw/zinc/88/10/12/783881012.db2.gz TYSJRWMITIOIJU-KDOFPFPSSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707117 784097625 /nfs/dbraw/zinc/09/76/25/784097625.db2.gz CPCWOWFIFQNWOO-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417834 784374429 /nfs/dbraw/zinc/37/44/29/784374429.db2.gz GVBMONNIXMCNIL-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086216815 784497241 /nfs/dbraw/zinc/49/72/41/784497241.db2.gz AMAPFDCZYVCXHP-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086243706 784516995 /nfs/dbraw/zinc/51/69/95/784516995.db2.gz XPTALRSJEQLRCR-WOVMCDHWSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968855781 784620504 /nfs/dbraw/zinc/62/05/04/784620504.db2.gz AHHZILIVDMBILG-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007956916 785059128 /nfs/dbraw/zinc/05/91/28/785059128.db2.gz ZNVAVWSNAKOUAV-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008064459 785095105 /nfs/dbraw/zinc/09/51/05/785095105.db2.gz VQTIFEHAUCKIBP-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171237540 791088672 /nfs/dbraw/zinc/08/86/72/791088672.db2.gz QSQLXEVGUZNRKF-IRXDYDNUSA-N 2 0 309.498 2.415 20 30 DEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CCCC2(C1)OCCO2 ZINC001169937658 785426822 /nfs/dbraw/zinc/42/68/22/785426822.db2.gz YFARKTXUSNKHHA-KRWDZBQOSA-N 2 0 317.433 2.339 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108734435 785514866 /nfs/dbraw/zinc/51/48/66/785514866.db2.gz SQGQQDPAMPPUTA-ULQDDVLXSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247581 791122234 /nfs/dbraw/zinc/12/22/34/791122234.db2.gz MKYSYJCVSCUEQI-HIFRSBDPSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821531 785561862 /nfs/dbraw/zinc/56/18/62/785561862.db2.gz OFBLLGVFARAOQJ-BBWFWOEESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109417473 785862267 /nfs/dbraw/zinc/86/22/67/785862267.db2.gz CYFNPQSRXFRNRI-NCOADZHNSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001112864840 786261051 /nfs/dbraw/zinc/26/10/51/786261051.db2.gz GAHUGIUOJFZVCD-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001113348582 786540314 /nfs/dbraw/zinc/54/03/14/786540314.db2.gz SPPLHCXLPLLXHK-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001113419435 786583252 /nfs/dbraw/zinc/58/32/52/786583252.db2.gz RFIWFJIQFXZKAF-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014438475 786586448 /nfs/dbraw/zinc/58/64/48/786586448.db2.gz TWJWRULODADVGA-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219129 788024782 /nfs/dbraw/zinc/02/47/82/788024782.db2.gz UOWLYXSFCFKZEV-ZJPYXAASSA-N 2 0 317.477 2.301 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790563 788194770 /nfs/dbraw/zinc/19/47/70/788194770.db2.gz IGSXPIVTPOWGHV-KRWDZBQOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121963 788287933 /nfs/dbraw/zinc/28/79/33/788287933.db2.gz MUTDIHIDDNYOBF-SJORKVTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133161725 788303453 /nfs/dbraw/zinc/30/34/53/788303453.db2.gz ADUOMBBJLVWNLP-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133176990 788307209 /nfs/dbraw/zinc/30/72/09/788307209.db2.gz BTMPPEHHSZNKOV-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133245448 788331903 /nfs/dbraw/zinc/33/19/03/788331903.db2.gz FCQJETUUGFZNJJ-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275140 788346184 /nfs/dbraw/zinc/34/61/84/788346184.db2.gz PYDFZMGELREGFD-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852461 788396446 /nfs/dbraw/zinc/39/64/46/788396446.db2.gz FWVRUSUGNJNYSL-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784264 789082974 /nfs/dbraw/zinc/08/29/74/789082974.db2.gz SAIHQJHEXOKIFQ-HZPDHXFCSA-N 2 0 318.465 2.357 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892082 789124475 /nfs/dbraw/zinc/12/44/75/789124475.db2.gz JUYSCTYZXGZYHX-UONOGXRCSA-N 2 0 300.406 2.397 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135297552 789276959 /nfs/dbraw/zinc/27/69/59/789276959.db2.gz DMKKSIJYVCHJNW-KBPBESRZSA-N 2 0 307.438 2.404 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675969 789442800 /nfs/dbraw/zinc/44/28/00/789442800.db2.gz OFKCFQQYYTVDOA-HOTGVXAUSA-N 2 0 315.461 2.258 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507827 789747983 /nfs/dbraw/zinc/74/79/83/789747983.db2.gz CGGLHWBHYRTJKC-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072811807 790256712 /nfs/dbraw/zinc/25/67/12/790256712.db2.gz HMSWNAPVLGFVHX-QGZVFWFLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001074653129 791259965 /nfs/dbraw/zinc/25/99/65/791259965.db2.gz ZSGCTRUYEFJILP-JZXOWHBKSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001074767432 791289093 /nfs/dbraw/zinc/28/90/93/791289093.db2.gz XUQCRATXWUALOG-BHYGNILZSA-N 2 0 305.466 2.016 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583749 791310289 /nfs/dbraw/zinc/31/02/89/791310289.db2.gz PAGQFXWAJWANQG-HOTGVXAUSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147429524 791529615 /nfs/dbraw/zinc/52/96/15/791529615.db2.gz SOJHMUSBVPRRGE-GOSISDBHSA-N 2 0 303.450 2.135 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907876 791846215 /nfs/dbraw/zinc/84/62/15/791846215.db2.gz GERCJXKYCZXAJH-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098873289 791971815 /nfs/dbraw/zinc/97/18/15/791971815.db2.gz LSRJVBCWHBNUMK-LNLFQRSKSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098923315 791985607 /nfs/dbraw/zinc/98/56/07/791985607.db2.gz IDKDZRHPDXCGMP-LPHOPBHVSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535947 792710434 /nfs/dbraw/zinc/71/04/34/792710434.db2.gz COECQDXRQQHASC-VJFUWPCTSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171539371 793113499 /nfs/dbraw/zinc/11/34/99/793113499.db2.gz TZRUBCGLUANCKT-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418365 793150029 /nfs/dbraw/zinc/15/00/29/793150029.db2.gz OLKJGSDIWJEMAI-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171647446 793157896 /nfs/dbraw/zinc/15/78/96/793157896.db2.gz VXIRHSWTLFCIQL-MSOLQXFVSA-N 2 0 321.509 2.395 20 30 DEEDRP C[C@@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171739280 793206384 /nfs/dbraw/zinc/20/63/84/793206384.db2.gz BIKUUQOOSFGABQ-AEFFLSMTSA-N 2 0 312.461 2.227 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475382 793626311 /nfs/dbraw/zinc/62/63/11/793626311.db2.gz LZJILPBAKSITQE-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP CCOC(=O)CC1([NH3+])CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173592312 793773986 /nfs/dbraw/zinc/77/39/86/793773986.db2.gz MQGWMYVFGASMIX-UHFFFAOYSA-N 2 0 307.438 2.205 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001103004842 793876846 /nfs/dbraw/zinc/87/68/46/793876846.db2.gz ARZXCLSYIKLKBP-ZJPYXAASSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612479 794159716 /nfs/dbraw/zinc/15/97/16/794159716.db2.gz FKSYFIBQYIESSD-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655002 794179253 /nfs/dbraw/zinc/17/92/53/794179253.db2.gz LCMIUVDFWZPOPU-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001111870928 794508108 /nfs/dbraw/zinc/50/81/08/794508108.db2.gz SVXKWFWAADKUID-AOIWGVFYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111985003 794540913 /nfs/dbraw/zinc/54/09/13/794540913.db2.gz YRUOKNCVGAMBTD-AOIWGVFYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004411 794543126 /nfs/dbraw/zinc/54/31/26/794543126.db2.gz APCBLWFZDHSWKX-WMZOPIPTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401544 794624036 /nfs/dbraw/zinc/62/40/36/794624036.db2.gz KSRQTXUYVQSRCI-LPHOPBHVSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001177339530 794642941 /nfs/dbraw/zinc/64/29/41/794642941.db2.gz JODATPZEMFHDMU-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450463 794777566 /nfs/dbraw/zinc/77/75/66/794777566.db2.gz BDSLREPAZPNAHO-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178634489 794961877 /nfs/dbraw/zinc/96/18/77/794961877.db2.gz WXBDUQCUDSHIBE-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001178693188 794977752 /nfs/dbraw/zinc/97/77/52/794977752.db2.gz KIRGGXQZZPOUPD-QGZVFWFLSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204468 795256195 /nfs/dbraw/zinc/25/61/95/795256195.db2.gz TVOKRUJHUILHLA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCC1 ZINC001180357247 795281220 /nfs/dbraw/zinc/28/12/20/795281220.db2.gz QDAMMTKPUKNCLN-UHFFFAOYSA-N 2 0 307.482 2.152 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208216 795421866 /nfs/dbraw/zinc/42/18/66/795421866.db2.gz VUOMUIVRJSZBFN-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421866 795455849 /nfs/dbraw/zinc/45/58/49/795455849.db2.gz FPDZZZIGEWWYQP-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422667 795456245 /nfs/dbraw/zinc/45/62/45/795456245.db2.gz NXMBYBXFOFOVAA-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448879 795461880 /nfs/dbraw/zinc/46/18/80/795461880.db2.gz HYEZEMJVDOBXPF-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120835074 795540118 /nfs/dbraw/zinc/54/01/18/795540118.db2.gz VIQXQKAMNDTETH-HVEGKCCWSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761730 795683892 /nfs/dbraw/zinc/68/38/92/795683892.db2.gz NOCQFVHBULZOFE-LMBQMVEXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])C2CCCCCC2)CC1 ZINC001121920994 795704047 /nfs/dbraw/zinc/70/40/47/795704047.db2.gz NCJPNUHKQCGJLX-KRWDZBQOSA-N 2 0 307.482 2.298 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001182598306 795709072 /nfs/dbraw/zinc/70/90/72/795709072.db2.gz AJTLBAPMKNGZQA-ZHALLVOQSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122021709 795717724 /nfs/dbraw/zinc/71/77/24/795717724.db2.gz DFWLNTFBCYMOEL-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001182910908 795779275 /nfs/dbraw/zinc/77/92/75/795779275.db2.gz QKHKAMLJLUISDV-ZIFCJYIRSA-N 2 0 321.509 2.060 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229583 795828817 /nfs/dbraw/zinc/82/88/17/795828817.db2.gz NLMSZCNGQVODFU-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001183495620 795881811 /nfs/dbraw/zinc/88/18/11/795881811.db2.gz BIBWTQZWYOXKLT-CVEARBPZSA-N 2 0 304.438 2.237 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576544 795925608 /nfs/dbraw/zinc/92/56/08/795925608.db2.gz FXIQACKLGOWPDD-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001138121862 796166155 /nfs/dbraw/zinc/16/61/55/796166155.db2.gz OEJHWMZUCFQYDY-SFHVURJKSA-N 2 0 315.461 2.227 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185260650 796224656 /nfs/dbraw/zinc/22/46/56/796224656.db2.gz MCDMFKVQWHKXAP-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188099132 796626870 /nfs/dbraw/zinc/62/68/70/796626870.db2.gz IBBPYAIIZCZXFI-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454176 796834033 /nfs/dbraw/zinc/83/40/33/796834033.db2.gz SDJCHNAKKQNCFF-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190491574 797019999 /nfs/dbraw/zinc/01/99/99/797019999.db2.gz IQUWTLFYMDJPNY-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001151891694 797113031 /nfs/dbraw/zinc/11/30/31/797113031.db2.gz JBSSAAFBZHJECE-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001192293293 797355411 /nfs/dbraw/zinc/35/54/11/797355411.db2.gz HMHOGTQXOUWBBZ-CABCVRRESA-N 2 0 316.449 2.329 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071321 797673508 /nfs/dbraw/zinc/67/35/08/797673508.db2.gz FSEJMANABJWIAB-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275732 797697559 /nfs/dbraw/zinc/69/75/59/797697559.db2.gz XOENUWHJHFOYQJ-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155622378 797807902 /nfs/dbraw/zinc/80/79/02/797807902.db2.gz VDDBTNMBGVQRBC-IAGOWNOFSA-N 2 0 307.482 2.099 20 30 DEEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCCCCC ZINC001155878149 797872881 /nfs/dbraw/zinc/87/28/81/797872881.db2.gz VVZCWEKOLIHVKJ-QGZVFWFLSA-N 2 0 309.498 2.348 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158473385 798412482 /nfs/dbraw/zinc/41/24/82/798412482.db2.gz KRWDJRFNAQLSRL-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751589 798463214 /nfs/dbraw/zinc/46/32/14/798463214.db2.gz ZFKPADKDGKFIKM-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP N#Cc1c(Cl)c2ccc(F)cc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159789978 798608573 /nfs/dbraw/zinc/60/85/73/798608573.db2.gz ZGONDBBPGSOOJR-GFCCVEGCSA-N 2 0 307.760 2.335 20 30 DEEDRP N#Cc1c[nH]c2nc(-n3cc(CC[NH3+])c4c[nH+]ccc43)ccc12 ZINC001160950666 798768928 /nfs/dbraw/zinc/76/89/28/798768928.db2.gz PELYVIKIXKOIHH-UHFFFAOYSA-N 2 0 302.341 2.275 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569106 798781715 /nfs/dbraw/zinc/78/17/15/798781715.db2.gz CQYLEKJWROSERZ-XDNAFOTISA-N 2 0 317.477 2.016 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201818584 798800542 /nfs/dbraw/zinc/80/05/42/798800542.db2.gz QPOUJXDGJJTGQM-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161397986 798846635 /nfs/dbraw/zinc/84/66/35/798846635.db2.gz LVKUHBHJHYPJJE-QGZVFWFLSA-N 2 0 317.477 2.023 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161563963 798886740 /nfs/dbraw/zinc/88/67/40/798886740.db2.gz MPFQDLGXKWTODK-UHFFFAOYSA-N 2 0 300.406 2.318 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001202473292 798907999 /nfs/dbraw/zinc/90/79/99/798907999.db2.gz HKQULFCWDAPDJF-OAHLLOKOSA-N 2 0 315.889 2.440 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893302 798961416 /nfs/dbraw/zinc/96/14/16/798961416.db2.gz BNNWNIGPOBTGEP-UHFFFAOYSA-N 2 0 317.477 2.024 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165718285 799764936 /nfs/dbraw/zinc/76/49/36/799764936.db2.gz HKNDGZLRWNXURJ-UHFFFAOYSA-N 2 0 319.493 2.315 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165763753 799772012 /nfs/dbraw/zinc/77/20/12/799772012.db2.gz FNYJJXUBRUFRFO-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165920072 799794314 /nfs/dbraw/zinc/79/43/14/799794314.db2.gz OOPITBYNYMJYAF-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420788 800044216 /nfs/dbraw/zinc/04/42/16/800044216.db2.gz XDVYDXQMZXQFEM-CABCVRRESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853279 800133501 /nfs/dbraw/zinc/13/35/01/800133501.db2.gz PPBFIJJILQKMBC-IYBDPMFKSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587732 800559729 /nfs/dbraw/zinc/55/97/29/800559729.db2.gz OZQOYRGFPLWMJY-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952364 800640247 /nfs/dbraw/zinc/64/02/47/800640247.db2.gz LWDBANCIWSQTKM-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263510 800718414 /nfs/dbraw/zinc/71/84/14/800718414.db2.gz URTJBXNNUMKDMA-OWCLPIDISA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263509 800719102 /nfs/dbraw/zinc/71/91/02/800719102.db2.gz URTJBXNNUMKDMA-BZUAXINKSA-N 2 0 313.461 2.069 20 30 DEEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396997 800743540 /nfs/dbraw/zinc/74/35/40/800743540.db2.gz BJZYPVPDPTVTGH-MSOLQXFVSA-N 2 0 308.466 2.154 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261182 800942963 /nfs/dbraw/zinc/94/29/63/800942963.db2.gz KGGSEQQYDMGSBZ-CVEARBPZSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208279257 800945047 /nfs/dbraw/zinc/94/50/47/800945047.db2.gz LTCTYHPVRSIVEG-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208609825 801031917 /nfs/dbraw/zinc/03/19/17/801031917.db2.gz NFRDJYXVQQSYMB-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250357 801158830 /nfs/dbraw/zinc/15/88/30/801158830.db2.gz DDNDZYRDLQZMGB-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCCC[NH+]1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001209267202 801162090 /nfs/dbraw/zinc/16/20/90/801162090.db2.gz MLIMOEZVFCSUBA-UHFFFAOYSA-N 2 0 300.450 2.264 20 30 DEEDRP C#CCOc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210267240 801365663 /nfs/dbraw/zinc/36/56/63/801365663.db2.gz XQPILQMCMKJMRX-UHFFFAOYSA-N 2 0 308.385 2.247 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210282677 801368195 /nfs/dbraw/zinc/36/81/95/801368195.db2.gz IXETYCUZOBLROX-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230280478 801380675 /nfs/dbraw/zinc/38/06/75/801380675.db2.gz YVZPHYCYBMTCMY-ZIAGYGMSSA-N 2 0 301.862 2.096 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211072659 801508451 /nfs/dbraw/zinc/50/84/51/801508451.db2.gz UPOXUMKSIWTPSO-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211146552 801517683 /nfs/dbraw/zinc/51/76/83/801517683.db2.gz DEMBIXWVPGGMSR-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211256545 801537940 /nfs/dbraw/zinc/53/79/40/801537940.db2.gz IJCGZGJMVPMKJA-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533569 802201384 /nfs/dbraw/zinc/20/13/84/802201384.db2.gz POMSADKUPSRFAS-RYUDHWBXSA-N 2 0 322.478 2.361 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234644361 802439923 /nfs/dbraw/zinc/43/99/23/802439923.db2.gz TXYDXQDAODNQQZ-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221766709 802613632 /nfs/dbraw/zinc/61/36/32/802613632.db2.gz BQALWEZVJARXQU-WNRNVDISSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811631 802617800 /nfs/dbraw/zinc/61/78/00/802617800.db2.gz CUZXOGZSRKKNIY-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489861 802795237 /nfs/dbraw/zinc/79/52/37/802795237.db2.gz ZOECYDANCNAOGE-ZACQAIPSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223533802 802797829 /nfs/dbraw/zinc/79/78/29/802797829.db2.gz PYXNEJUCMVKIDE-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CCc2ncc[nH]2)CC1 ZINC001227138028 803206566 /nfs/dbraw/zinc/20/65/66/803206566.db2.gz GUOIIIFOYXIGDY-CQSZACIVSA-N 2 0 304.438 2.278 20 30 DEEDRP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327995081 1148694917 /nfs/dbraw/zinc/69/49/17/1148694917.db2.gz GKAODZIZGBYWSX-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001328796101 1148836014 /nfs/dbraw/zinc/83/60/14/1148836014.db2.gz GUFWGKGRNUGTBH-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001499858036 1058329045 /nfs/dbraw/zinc/32/90/45/1058329045.db2.gz QQOISNXAOQKLSK-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001500111552 1058498637 /nfs/dbraw/zinc/49/86/37/1058498637.db2.gz QRGZGRUTBNFULK-DOTOQJQBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001501172212 1059347578 /nfs/dbraw/zinc/34/75/78/1059347578.db2.gz RSGCBJBBFDJHQE-FJIDUMEYSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001501396104 1059488276 /nfs/dbraw/zinc/48/82/76/1059488276.db2.gz SRLLIGOTUXXXJB-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502968401 1060407364 /nfs/dbraw/zinc/40/73/64/1060407364.db2.gz MAOMQEUBBAVXQO-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001479369228 1061420517 /nfs/dbraw/zinc/42/05/17/1061420517.db2.gz PPGYQKKRUTWOMV-AHCXZYCDSA-N 2 0 319.493 2.167 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001479561618 1061503730 /nfs/dbraw/zinc/50/37/30/1061503730.db2.gz FQJTYDMSFSEHKX-SQNIBIBYSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001479674653 1061581915 /nfs/dbraw/zinc/58/19/15/1061581915.db2.gz LUCXTMZZLRAMLX-MSOLQXFVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001479968470 1062124712 /nfs/dbraw/zinc/12/47/12/1062124712.db2.gz LIHFKXSLCSAMLQ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001506559023 1062130416 /nfs/dbraw/zinc/13/04/16/1062130416.db2.gz NRSOXYJKDDWILZ-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001480049354 1062241856 /nfs/dbraw/zinc/24/18/56/1062241856.db2.gz BQCAZPPOKGHBNC-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506907817 1062496258 /nfs/dbraw/zinc/49/62/58/1062496258.db2.gz YWJJMSIIXDKKQT-ULQDDVLXSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001480265330 1062566307 /nfs/dbraw/zinc/56/63/07/1062566307.db2.gz IXIGBBWMNWHVKM-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001506960841 1062600707 /nfs/dbraw/zinc/60/07/07/1062600707.db2.gz DFDHTGUQDISHSX-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC=C)C(C)(C)C ZINC001507961977 1063479535 /nfs/dbraw/zinc/47/95/35/1063479535.db2.gz QVNNTMBRVDMJFC-IRXDYDNUSA-N 2 0 319.493 2.171 20 30 DEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001493803449 1063968886 /nfs/dbraw/zinc/96/88/86/1063968886.db2.gz OELSRAAOZOSUDN-UHFFFAOYSA-N 2 0 303.450 2.376 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494159711 1064148421 /nfs/dbraw/zinc/14/84/21/1064148421.db2.gz MICQMKMZLHJHHX-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001494197714 1064169508 /nfs/dbraw/zinc/16/95/08/1064169508.db2.gz IEHHZZZJMZRFMM-KRWDZBQOSA-N 2 0 309.498 2.319 20 30 DEEDRP C=C(C)C[NH2+]CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001567535638 1064240677 /nfs/dbraw/zinc/24/06/77/1064240677.db2.gz HBEWGGYOLCPZRS-UHFFFAOYSA-N 2 0 303.450 2.028 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001567666129 1064328642 /nfs/dbraw/zinc/32/86/42/1064328642.db2.gz SOLKKBXECMTPHH-ROUUACIJSA-N 2 0 315.461 2.351 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567682793 1064338991 /nfs/dbraw/zinc/33/89/91/1064338991.db2.gz PLCSEKXSSPHAMO-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567812232 1064436519 /nfs/dbraw/zinc/43/65/19/1064436519.db2.gz ZMRKSPPXJMAMDK-HNNXBMFYSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001494875555 1064535636 /nfs/dbraw/zinc/53/56/36/1064535636.db2.gz KLDGXRRCXPIWNX-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001568061812 1064626896 /nfs/dbraw/zinc/62/68/96/1064626896.db2.gz PLCGIUDTRLQQJX-MRXNPFEDSA-N 2 0 324.428 2.108 20 30 DEEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001495278339 1064803278 /nfs/dbraw/zinc/80/32/78/1064803278.db2.gz HPLDKOWUWMSFFK-QFBILLFUSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH2+]C[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001495279294 1064803543 /nfs/dbraw/zinc/80/35/43/1064803543.db2.gz BAHHPCPWCPLQHN-GOSISDBHSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001568412278 1064849322 /nfs/dbraw/zinc/84/93/22/1064849322.db2.gz QFKXBEPGMVCPCZ-IAGOWNOFSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001495443741 1064909799 /nfs/dbraw/zinc/90/97/99/1064909799.db2.gz GOZDIGAZMRFXJE-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001495488230 1064940937 /nfs/dbraw/zinc/94/09/37/1064940937.db2.gz LQRMZZGQBNWTDF-SFHVURJKSA-N 2 0 315.461 2.451 20 30 DEEDRP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001495600374 1064996670 /nfs/dbraw/zinc/99/66/70/1064996670.db2.gz YEKLEVWDWZVYMF-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386059 1065481984 /nfs/dbraw/zinc/48/19/84/1065481984.db2.gz IYGASXUBDZCEMX-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001569436386 1065507989 /nfs/dbraw/zinc/50/79/89/1065507989.db2.gz HPXHBNAZPWQMGU-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569440373 1065509292 /nfs/dbraw/zinc/50/92/92/1065509292.db2.gz HMUYXDKCTNSNNU-AJYUKVHDSA-N 2 0 319.493 2.404 20 30 DEEDRP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](C(C)C)CC1 ZINC001569592979 1065612278 /nfs/dbraw/zinc/61/22/78/1065612278.db2.gz JBBHOPSBQFINKE-UHFFFAOYSA-N 2 0 321.509 2.299 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001569609435 1065620198 /nfs/dbraw/zinc/62/01/98/1065620198.db2.gz FVVNGACTNZGZII-DLBZAZTESA-N 2 0 309.498 2.413 20 30 DEEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569715322 1065687608 /nfs/dbraw/zinc/68/76/08/1065687608.db2.gz MOONNQRNJRNFCJ-LJQANCHMSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569726654 1065694034 /nfs/dbraw/zinc/69/40/34/1065694034.db2.gz SMTYZGJZSMBORE-LJQANCHMSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001569802692 1065725673 /nfs/dbraw/zinc/72/56/73/1065725673.db2.gz YWSCEQMESOGBIP-FUHWJXTLSA-N 2 0 315.461 2.134 20 30 DEEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001569801122 1065726318 /nfs/dbraw/zinc/72/63/18/1065726318.db2.gz YQPPUFPGOVQROT-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001496890118 1065780201 /nfs/dbraw/zinc/78/02/01/1065780201.db2.gz JLSOYEJIKVWWRC-IRXDYDNUSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001570011860 1065881652 /nfs/dbraw/zinc/88/16/52/1065881652.db2.gz SOSIMEXVSAMZKX-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570275046 1066001371 /nfs/dbraw/zinc/00/13/71/1066001371.db2.gz OJVNTVGJRKYHIZ-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001497621553 1066193939 /nfs/dbraw/zinc/19/39/39/1066193939.db2.gz QFVOYHYCYXNMFI-PLNGDYQASA-N 2 0 312.417 2.485 20 30 DEEDRP CC(C)(C[NH3+])C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001575315582 1066261745 /nfs/dbraw/zinc/26/17/45/1066261745.db2.gz SERQKNTVGYQRFM-UHFFFAOYSA-N 2 0 314.433 2.194 20 30 DEEDRP C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001576253751 1066536292 /nfs/dbraw/zinc/53/62/92/1066536292.db2.gz ZBTLYOYNBPOKFZ-WMLDXEAASA-N 2 0 323.444 2.436 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001632547991 1078386346 /nfs/dbraw/zinc/38/63/46/1078386346.db2.gz LCAIVCLWQYONTR-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001632827268 1078392017 /nfs/dbraw/zinc/39/20/17/1078392017.db2.gz VMICTVKHAZQITK-FUHWJXTLSA-N 2 0 315.461 2.131 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498497863 1066746676 /nfs/dbraw/zinc/74/66/76/1066746676.db2.gz RXSFTMZZGSEQPX-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001498904457 1066949030 /nfs/dbraw/zinc/94/90/30/1066949030.db2.gz UPQBCNDVFLTUIP-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001483406007 1078513415 /nfs/dbraw/zinc/51/34/15/1078513415.db2.gz PAGODQKUHZTIMX-AEFFLSMTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001483438879 1078533845 /nfs/dbraw/zinc/53/38/45/1078533845.db2.gz VRWREEKZUGQVRR-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP Cn1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC001579964193 1067463476 /nfs/dbraw/zinc/46/34/76/1067463476.db2.gz LFHNRQHXOWUOTE-SJORKVTESA-N 2 0 321.428 2.000 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001483438880 1078534143 /nfs/dbraw/zinc/53/41/43/1078534143.db2.gz VRWREEKZUGQVRR-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC001580079908 1067492068 /nfs/dbraw/zinc/49/20/68/1067492068.db2.gz IPKNECHYXTXGFD-CRYBEJKASA-N 2 0 314.433 2.360 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001267151830 1078616148 /nfs/dbraw/zinc/61/61/48/1078616148.db2.gz VOXXRSQEPIZTPD-FUHWJXTLSA-N 2 0 315.461 2.187 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001570547957 1067998872 /nfs/dbraw/zinc/99/88/72/1067998872.db2.gz IVVFNPCCRMWJQD-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267174064 1078638142 /nfs/dbraw/zinc/63/81/42/1078638142.db2.gz VRUVRFJUNRTDPF-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001570806125 1068122182 /nfs/dbraw/zinc/12/21/82/1068122182.db2.gz VUSCHWDEWSGRQO-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001267191808 1078653940 /nfs/dbraw/zinc/65/39/40/1078653940.db2.gz YZOJGULYHRSKRL-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001267202965 1078662426 /nfs/dbraw/zinc/66/24/26/1078662426.db2.gz AUKFNDHELOIIFT-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267216876 1078672599 /nfs/dbraw/zinc/67/25/99/1078672599.db2.gz SJBFXFCBDPXDOH-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001571373884 1068257712 /nfs/dbraw/zinc/25/77/12/1068257712.db2.gz QJUDRJZCKFLTOG-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001267334009 1078772935 /nfs/dbraw/zinc/77/29/35/1078772935.db2.gz UVRGZZQPUDNJJC-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001267350385 1078785072 /nfs/dbraw/zinc/78/50/72/1078785072.db2.gz DISMUUGSUYEWLM-IRXDYDNUSA-N 2 0 301.434 2.104 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001483698844 1078819735 /nfs/dbraw/zinc/81/97/35/1078819735.db2.gz XHOBGCOEERKJPA-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267546687 1078976956 /nfs/dbraw/zinc/97/69/56/1078976956.db2.gz BYGZGZWKFTZGSN-QGZVFWFLSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483803084 1079130080 /nfs/dbraw/zinc/13/00/80/1079130080.db2.gz ZEWKODPSDBYBHV-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001484126375 1079315250 /nfs/dbraw/zinc/31/52/50/1079315250.db2.gz VVNOWTMREWJNBS-LJQANCHMSA-N 2 0 319.493 2.104 20 30 DEEDRP CCC#C[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC001559480905 1075126537 /nfs/dbraw/zinc/12/65/37/1075126537.db2.gz VLXKMUYUSIADNB-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC#N ZINC001650051515 1079379360 /nfs/dbraw/zinc/37/93/60/1079379360.db2.gz FEAOHQKSZUEYIA-ATLSCFEFSA-N 2 0 301.434 2.007 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566795039 1075347163 /nfs/dbraw/zinc/34/71/63/1075347163.db2.gz QOTLFOFZHQMPJV-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566966330 1075402931 /nfs/dbraw/zinc/40/29/31/1075402931.db2.gz UFNQJXCYUDWBIB-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001566990943 1075409773 /nfs/dbraw/zinc/40/97/73/1075409773.db2.gz BECFUJAOYCERDK-KLAILNCOSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567163818 1075449299 /nfs/dbraw/zinc/44/92/99/1075449299.db2.gz HWXJKHKEPZKZEM-SJORKVTESA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267750141 1079451733 /nfs/dbraw/zinc/45/17/33/1079451733.db2.gz XYXJFKQCIBNVSA-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267811445 1079510508 /nfs/dbraw/zinc/51/05/08/1079510508.db2.gz STDLZWVAAUYCLV-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267811440 1079510598 /nfs/dbraw/zinc/51/05/98/1079510598.db2.gz STDLZWVAAUYCLV-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267898950 1079585359 /nfs/dbraw/zinc/58/53/59/1079585359.db2.gz YEQQXQXYCFXUAF-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001484412055 1079597638 /nfs/dbraw/zinc/59/76/38/1079597638.db2.gz IKXWBGWPESWUED-KSZLIROESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001484527747 1079641358 /nfs/dbraw/zinc/64/13/58/1079641358.db2.gz XXWJXGNDVRMNLS-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001267969626 1079649469 /nfs/dbraw/zinc/64/94/69/1079649469.db2.gz JZWVQCKKDBEKNH-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484551620 1079656661 /nfs/dbraw/zinc/65/66/61/1079656661.db2.gz MSQDSPWGAYUHNV-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001481340288 1079734379 /nfs/dbraw/zinc/73/43/79/1079734379.db2.gz PQYTZVVCLBUDQY-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1cncn1C ZINC001485076604 1079962408 /nfs/dbraw/zinc/96/24/08/1079962408.db2.gz UTOFKBCQRZCXDK-QGZVFWFLSA-N 2 0 318.465 2.242 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001656109946 1080047118 /nfs/dbraw/zinc/04/71/18/1080047118.db2.gz VMPQVIYLCJYAMZ-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001656210128 1080065244 /nfs/dbraw/zinc/06/52/44/1080065244.db2.gz LBTXXIXYAGCPKE-BRWVUGGUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001485230262 1080078739 /nfs/dbraw/zinc/07/87/39/1080078739.db2.gz RPLBJUCQQZGKHU-CABCVRRESA-N 2 0 303.450 2.421 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001656547238 1080101727 /nfs/dbraw/zinc/10/17/27/1080101727.db2.gz XOHZFSKMYKMJJT-IKGGRYGDSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001268173975 1080164375 /nfs/dbraw/zinc/16/43/75/1080164375.db2.gz GOOVSDKAPGCNCF-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001268174486 1080164580 /nfs/dbraw/zinc/16/45/80/1080164580.db2.gz RDMWEIASJPUZBQ-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001268269284 1080249377 /nfs/dbraw/zinc/24/93/77/1080249377.db2.gz LUYUBYRKDKHONN-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001485666585 1080356001 /nfs/dbraw/zinc/35/60/01/1080356001.db2.gz POIVYJVQFVUYSW-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268366615 1080377435 /nfs/dbraw/zinc/37/74/35/1080377435.db2.gz NZMTXSHTICKTPA-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485766166 1080422273 /nfs/dbraw/zinc/42/22/73/1080422273.db2.gz ANEZCSPIUQEBPL-MRXNPFEDSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001661216132 1080457739 /nfs/dbraw/zinc/45/77/39/1080457739.db2.gz KBTSNAONMAUWAC-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001661435339 1080480856 /nfs/dbraw/zinc/48/08/56/1080480856.db2.gz OEZVBORFMLMYRY-BFYDXBDKSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268455006 1080498885 /nfs/dbraw/zinc/49/88/85/1080498885.db2.gz WUYAXSYFEZOXIN-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661724440 1080513059 /nfs/dbraw/zinc/51/30/59/1080513059.db2.gz VNCVORBCIUHUMR-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481879963 1080571539 /nfs/dbraw/zinc/57/15/39/1080571539.db2.gz BHACSADEYANHKA-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001481900297 1080590666 /nfs/dbraw/zinc/59/06/66/1080590666.db2.gz SYUNKLWEFJWQEB-DLBZAZTESA-N 2 0 317.477 2.045 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001662424266 1080608264 /nfs/dbraw/zinc/60/82/64/1080608264.db2.gz KDUSFTJUDQCVBI-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001662838846 1080666639 /nfs/dbraw/zinc/66/66/39/1080666639.db2.gz KMAHNMQUXGQRPV-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001482010892 1080685550 /nfs/dbraw/zinc/68/55/50/1080685550.db2.gz WQUNWQDUGRDOIX-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663548652 1080772946 /nfs/dbraw/zinc/77/29/46/1080772946.db2.gz UYESRBSPXGVNSO-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001664667901 1080939087 /nfs/dbraw/zinc/93/90/87/1080939087.db2.gz SBTBZHOSRICQKT-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001268742411 1080963018 /nfs/dbraw/zinc/96/30/18/1080963018.db2.gz HOUFMRNCOGONQJ-AEFFLSMTSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001664858808 1080972870 /nfs/dbraw/zinc/97/28/70/1080972870.db2.gz LTKKEZBJCIXRGL-SFHVURJKSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001665317861 1081012797 /nfs/dbraw/zinc/01/27/97/1081012797.db2.gz ZAWDTBIUEVRWSP-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001665379228 1081020610 /nfs/dbraw/zinc/02/06/10/1081020610.db2.gz PSYXOMONBJHHLP-ULQDDVLXSA-N 2 0 307.482 2.336 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001665596992 1081044401 /nfs/dbraw/zinc/04/44/01/1081044401.db2.gz AXHNYOQLMYSIRF-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001666425282 1081151675 /nfs/dbraw/zinc/15/16/75/1081151675.db2.gz QGUZVVJNMGBYME-OAHLLOKOSA-N 2 0 319.474 2.027 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCCC)CC2)CC1 ZINC001006446026 1081175634 /nfs/dbraw/zinc/17/56/34/1081175634.db2.gz QZRLMPBYGIYQRK-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001666759823 1081179129 /nfs/dbraw/zinc/17/91/29/1081179129.db2.gz LRFHNGUYGNKMAZ-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001667029066 1081203413 /nfs/dbraw/zinc/20/34/13/1081203413.db2.gz PRHRFDYVDJFFQQ-WMZOPIPTSA-N 2 0 315.461 2.139 20 30 DEEDRP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001269570588 1081293115 /nfs/dbraw/zinc/29/31/15/1081293115.db2.gz NYCHPKXMFKGBKD-FBVQUNGASA-N 2 0 319.493 2.098 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001269588824 1081298868 /nfs/dbraw/zinc/29/88/68/1081298868.db2.gz WBEUPRTXGGYCRL-UHFFFAOYSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001269602082 1081303117 /nfs/dbraw/zinc/30/31/17/1081303117.db2.gz RYJWSSOSKKBQPS-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CCCCCCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001269843990 1081380974 /nfs/dbraw/zinc/38/09/74/1081380974.db2.gz SNEATZURRIJLCK-UHFFFAOYSA-N 2 0 309.498 2.441 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669962096 1081483545 /nfs/dbraw/zinc/48/35/45/1081483545.db2.gz SAMMMTWYSDGXAY-CRAIPNDOSA-N 2 0 324.428 2.154 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001671536211 1081522096 /nfs/dbraw/zinc/52/20/96/1081522096.db2.gz MGMGYUFPVUFWJO-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001482406141 1081797798 /nfs/dbraw/zinc/79/77/98/1081797798.db2.gz NYSVQHQOPFFFIF-MSOLQXFVSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001673993318 1081822571 /nfs/dbraw/zinc/82/25/71/1081822571.db2.gz IWUCYAXPXAAHRU-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001271052397 1081889123 /nfs/dbraw/zinc/88/91/23/1081889123.db2.gz ULHVPBYBCWTLCY-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001674687987 1081905950 /nfs/dbraw/zinc/90/59/50/1081905950.db2.gz XYCIXMVCTZPSBF-OLZOCXBDSA-N 2 0 300.406 2.315 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001482463553 1081925959 /nfs/dbraw/zinc/92/59/59/1081925959.db2.gz ZBFLZVYVXSMZEP-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271286210 1082005974 /nfs/dbraw/zinc/00/59/74/1082005974.db2.gz QZANOSDZOKUJOG-YESZJQIVSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266459824 1082050878 /nfs/dbraw/zinc/05/08/78/1082050878.db2.gz UAGZHNPPRQYPFC-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266464758 1082054213 /nfs/dbraw/zinc/05/42/13/1082054213.db2.gz IBZPPGRGWLFFGN-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266472151 1082060568 /nfs/dbraw/zinc/06/05/68/1082060568.db2.gz DJMLZPFCLPSTKF-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001266663270 1082257473 /nfs/dbraw/zinc/25/74/73/1082257473.db2.gz NFFCPFWZICKKIY-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266693029 1082288765 /nfs/dbraw/zinc/28/87/65/1082288765.db2.gz MFCYFTWQNWNVMC-ZACQAIPSSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266801116 1082354668 /nfs/dbraw/zinc/35/46/68/1082354668.db2.gz JVSCLEZOUKLUQV-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266860213 1082404809 /nfs/dbraw/zinc/40/48/09/1082404809.db2.gz ZUJLGGWDVBSJPM-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001670842414 1082410368 /nfs/dbraw/zinc/41/03/68/1082410368.db2.gz DJCRYGCEKFWRPW-MRXNPFEDSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001266876728 1082425413 /nfs/dbraw/zinc/42/54/13/1082425413.db2.gz OPVFPDSKYAGREB-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482642967 1082431772 /nfs/dbraw/zinc/43/17/72/1082431772.db2.gz ZOJBDZVJZUIDNZ-LSDHHAIUSA-N 2 0 315.889 2.250 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266889008 1082431944 /nfs/dbraw/zinc/43/19/44/1082431944.db2.gz AOCPVEYMPIOXIT-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001409460394 1082902482 /nfs/dbraw/zinc/90/24/82/1082902482.db2.gz ZREJRTASXGLQMP-ZIAGYGMSSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001671138566 1083403331 /nfs/dbraw/zinc/40/33/31/1083403331.db2.gz ZZWYMFFNIAZDNQ-RDJZCZTQSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546525 1083473917 /nfs/dbraw/zinc/47/39/17/1083473917.db2.gz GMESPFWCSHYGID-ZHALLVOQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001276606919 1083511893 /nfs/dbraw/zinc/51/18/93/1083511893.db2.gz CYXOQGJGKQCQKZ-JKSUJKDBSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001272748993 1083626706 /nfs/dbraw/zinc/62/67/06/1083626706.db2.gz VZZDIHNQBWLDMW-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP Cc1cc(N2CC3(C2)CC[N@@H+](Cc2cc(C#N)n(C)c2)C3)cc[nH+]1 ZINC001277065065 1083756244 /nfs/dbraw/zinc/75/62/44/1083756244.db2.gz SPQWPISECVIDRJ-UHFFFAOYSA-N 2 0 321.428 2.313 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001490904333 1083884424 /nfs/dbraw/zinc/88/44/24/1083884424.db2.gz ADQZETIJZXCLDR-KLHDSHLOSA-N 2 0 316.449 2.037 20 30 DEEDRP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277394074 1083943885 /nfs/dbraw/zinc/94/38/85/1083943885.db2.gz XTNNBMOUWYJYBJ-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001490945282 1083967846 /nfs/dbraw/zinc/96/78/46/1083967846.db2.gz CZAAKIRDNDLLGN-BZSNNMDCSA-N 2 0 315.461 2.492 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115729973 1084168444 /nfs/dbraw/zinc/16/84/44/1084168444.db2.gz AABRULCTVLTGBB-UHFFFAOYSA-N 2 0 321.509 2.396 20 30 DEEDRP CCn1ccnc1CN1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943020 1084421914 /nfs/dbraw/zinc/42/19/14/1084421914.db2.gz KCPADWRHXVYLSK-UHFFFAOYSA-N 2 0 315.465 2.495 20 30 DEEDRP C=CC[NH2+]CCN1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001235610328 1084477763 /nfs/dbraw/zinc/47/77/63/1084477763.db2.gz FAURSNDTPHKVNC-QGZVFWFLSA-N 2 0 319.474 2.343 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078668951 1084802359 /nfs/dbraw/zinc/80/23/59/1084802359.db2.gz ULPZQZXLCQTXTH-JKSUJKDBSA-N 2 0 317.477 2.208 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078700093 1084816059 /nfs/dbraw/zinc/81/60/59/1084816059.db2.gz GPCWDLLHUJEFJN-LSDHHAIUSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001485883187 1084961244 /nfs/dbraw/zinc/96/12/44/1084961244.db2.gz PGACAAKCHCSPLU-CYBMUJFWSA-N 2 0 309.479 2.436 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486211000 1085143869 /nfs/dbraw/zinc/14/38/69/1085143869.db2.gz SENXHDLWCNCTIG-CVEARBPZSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000964035145 1085155488 /nfs/dbraw/zinc/15/54/88/1085155488.db2.gz PEKFAKVYQTXGJE-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128553789 1086230388 /nfs/dbraw/zinc/23/03/88/1086230388.db2.gz ZFWPEHIQNUVMCF-ZDUSSCGKSA-N 2 0 309.479 2.484 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000963800040 1086560638 /nfs/dbraw/zinc/56/06/38/1086560638.db2.gz CLGGZXAFLZHQDU-VFIJXHPYSA-N 2 0 317.477 2.064 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850189 1088475147 /nfs/dbraw/zinc/47/51/47/1088475147.db2.gz JJYMVEDLFPQZNN-KBAYOESNSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095903793 1089087252 /nfs/dbraw/zinc/08/72/52/1089087252.db2.gz LYNCBRPKEBTZNB-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114623955 1089397054 /nfs/dbraw/zinc/39/70/54/1089397054.db2.gz ISOGFTJGVDLZJV-DZFIZOCASA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082559433 1090006698 /nfs/dbraw/zinc/00/66/98/1090006698.db2.gz FKJDKXBXMQFPEM-NXHRZFHOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405318 1090290775 /nfs/dbraw/zinc/29/07/75/1090290775.db2.gz HTOMFWRPHAKZQO-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484423 1090304116 /nfs/dbraw/zinc/30/41/16/1090304116.db2.gz UTEKBYRAQRWDFS-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001274446612 1091250932 /nfs/dbraw/zinc/25/09/32/1091250932.db2.gz RIUVKULQQVYHDQ-HZPDHXFCSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001411209831 1091421714 /nfs/dbraw/zinc/42/17/14/1091421714.db2.gz QLEWMNVXURKMKL-ZIAGYGMSSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001411223604 1091439198 /nfs/dbraw/zinc/43/91/98/1091439198.db2.gz MHHQLWYFMAPGQF-CQSZACIVSA-N 2 0 315.889 2.201 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246023372 1091689859 /nfs/dbraw/zinc/68/98/59/1091689859.db2.gz RKGBOWZFMYMUKH-ULQDDVLXSA-N 2 0 300.487 2.130 20 30 DEEDRP C=CCCCC[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273494921 1091882998 /nfs/dbraw/zinc/88/29/98/1091882998.db2.gz JHBQNYNEEQQUSX-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726417 1091902929 /nfs/dbraw/zinc/90/29/29/1091902929.db2.gz QHBSPRBFKUNRCN-INIZCTEOSA-N 2 0 319.449 2.454 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001275624335 1091917580 /nfs/dbraw/zinc/91/75/80/1091917580.db2.gz KQJQQYQJJGNCPJ-UHFFFAOYSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001273598698 1091943318 /nfs/dbraw/zinc/94/33/18/1091943318.db2.gz GQAPWOUPYHGSTD-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001488646985 1092656606 /nfs/dbraw/zinc/65/66/06/1092656606.db2.gz HNAAPJYMWSFXEI-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001489068912 1092903064 /nfs/dbraw/zinc/90/30/64/1092903064.db2.gz HUACHQJJFICZKW-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001495320247 1093159258 /nfs/dbraw/zinc/15/92/58/1093159258.db2.gz JOSUHCSDIJESOL-VQIMIIECSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001490331878 1093317232 /nfs/dbraw/zinc/31/72/32/1093317232.db2.gz YQSORVJPDXFQSE-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001490424691 1093373678 /nfs/dbraw/zinc/37/36/78/1093373678.db2.gz HHGMJTJHIATPSB-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001490804967 1093611607 /nfs/dbraw/zinc/61/16/07/1093611607.db2.gz FMDJIQIWSMUUPX-YESZJQIVSA-N 2 0 307.482 2.357 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001691748570 1138326668 /nfs/dbraw/zinc/32/66/68/1138326668.db2.gz INZALSBQADHBOZ-MAEOIBBWSA-N 2 0 319.493 2.169 20 30 DEEDRP C[NH+](C)CCN(Cc1cc(Cl)cc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC001236934773 1138461499 /nfs/dbraw/zinc/46/14/99/1138461499.db2.gz ZCZQQFREWQZWBL-KRWDZBQOSA-N 2 0 320.868 2.327 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001316665996 1140159264 /nfs/dbraw/zinc/15/92/64/1140159264.db2.gz BYZABRDJORYPIL-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001318439951 1140330226 /nfs/dbraw/zinc/33/02/26/1140330226.db2.gz PVENQTXKEYPQIS-SJORKVTESA-N 2 0 322.497 2.199 20 30 DEEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001318995435 1140488119 /nfs/dbraw/zinc/48/81/19/1140488119.db2.gz CAHQKAMTNIDZLI-SFHVURJKSA-N 2 0 315.461 2.002 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001319403902 1140565131 /nfs/dbraw/zinc/56/51/31/1140565131.db2.gz YNHFRZPRJDZEEM-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001319662985 1140650330 /nfs/dbraw/zinc/65/03/30/1140650330.db2.gz KZAZYYUQHJJDIT-ZWKOTPCHSA-N 2 0 321.509 2.251 20 30 DEEDRP N#Cc1cc(-c2ccncc2C[NH3+])ccc1OC1CC[NH2+]CC1 ZINC001245562617 1140763688 /nfs/dbraw/zinc/76/36/88/1140763688.db2.gz JRJZADNXLAPMFM-UHFFFAOYSA-N 2 0 308.385 2.210 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319862454 1140775704 /nfs/dbraw/zinc/77/57/04/1140775704.db2.gz VHRMKSKJCZXLPM-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245986076 1140842390 /nfs/dbraw/zinc/84/23/90/1140842390.db2.gz UTBUXKXRFBJQGH-TVFCKZIOSA-N 2 0 312.498 2.312 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001246005567 1140844708 /nfs/dbraw/zinc/84/47/08/1140844708.db2.gz ZCLVQSRAQNNPHT-ULQDDVLXSA-N 2 0 300.487 2.191 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246023153 1140848570 /nfs/dbraw/zinc/84/85/70/1140848570.db2.gz ONYGQQDSDDNCJI-GVDBMIGSSA-N 2 0 300.487 2.272 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001320437379 1140866164 /nfs/dbraw/zinc/86/61/64/1140866164.db2.gz LOBVXJWCHKRUCG-CYBMUJFWSA-N 2 0 309.479 2.484 20 30 DEEDRP C[C@@H]1C[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246316781 1140883223 /nfs/dbraw/zinc/88/32/23/1140883223.db2.gz UDEPMJCLAJRINN-AEFFLSMTSA-N 2 0 312.461 2.275 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246709444 1141039370 /nfs/dbraw/zinc/03/93/70/1141039370.db2.gz SIQNPVWSSXOJRL-XYJFISCASA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001278487121 1141363940 /nfs/dbraw/zinc/36/39/40/1141363940.db2.gz LTCMYWODJXUZMY-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+](CC1CC1)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001323736526 1141882269 /nfs/dbraw/zinc/88/22/69/1141882269.db2.gz QYMVSJHMCUFXIT-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001324413710 1142073147 /nfs/dbraw/zinc/07/31/47/1142073147.db2.gz NSXUJGHAFDEZNV-UHFFFAOYSA-N 2 0 321.509 2.301 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001252121929 1142648286 /nfs/dbraw/zinc/64/82/86/1142648286.db2.gz NJYSZQLTUOYWFV-GOSISDBHSA-N 2 0 313.530 2.277 20 30 DEEDRP C=CCOC[C@@H](O)C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001252473232 1142727322 /nfs/dbraw/zinc/72/73/22/1142727322.db2.gz IXELQCDJKWLPNT-IBGZPJMESA-N 2 0 324.509 2.384 20 30 DEEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001252620697 1142793151 /nfs/dbraw/zinc/79/31/51/1142793151.db2.gz YLJAVLMQCXKGRF-SFHVURJKSA-N 2 0 303.450 2.210 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC001278690356 1142836118 /nfs/dbraw/zinc/83/61/18/1142836118.db2.gz PSENXSLURHWZTK-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662228 1143303656 /nfs/dbraw/zinc/30/36/56/1143303656.db2.gz DFMLVEPFSYSWKM-FCGDIQPGSA-N 2 0 317.477 2.359 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccc(CC)cc1 ZINC001340924217 1143497215 /nfs/dbraw/zinc/49/72/15/1143497215.db2.gz XVYXHRICESZSPQ-ZWKOTPCHSA-N 2 0 315.461 2.406 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001279038023 1143950136 /nfs/dbraw/zinc/95/01/36/1143950136.db2.gz DBJXSZQWDUYGTI-MAUKXSAKSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001263880615 1144419599 /nfs/dbraw/zinc/41/95/99/1144419599.db2.gz UMAHSULSPGUCEM-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001265087258 1144640734 /nfs/dbraw/zinc/64/07/34/1144640734.db2.gz XHBOSQBWXLZHBB-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001265306048 1144689367 /nfs/dbraw/zinc/68/93/67/1144689367.db2.gz ISTGIHVYJHMEHE-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001265562097 1144712129 /nfs/dbraw/zinc/71/21/29/1144712129.db2.gz VOGZDYQYEKZFQC-CALCHBBNSA-N 2 0 301.434 2.175 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001265610791 1144717734 /nfs/dbraw/zinc/71/77/34/1144717734.db2.gz CAAWFMOBIUGTTN-HZPDHXFCSA-N 2 0 313.461 2.071 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265613549 1144718095 /nfs/dbraw/zinc/71/80/95/1144718095.db2.gz QVKZAKJTIHHJDV-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265621606 1144718921 /nfs/dbraw/zinc/71/89/21/1144718921.db2.gz MUWQXUMNYPWJFY-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266228718 1144816495 /nfs/dbraw/zinc/81/64/95/1144816495.db2.gz MNHDHESBUKIIDW-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001279242725 1144819753 /nfs/dbraw/zinc/81/97/53/1144819753.db2.gz WIARNYRGWLHTJP-CGZBRXJRSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001279280434 1144820128 /nfs/dbraw/zinc/82/01/28/1144820128.db2.gz KKJLRVNLMFIFSE-JUVOFCAFSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001280364990 1144836729 /nfs/dbraw/zinc/83/67/29/1144836729.db2.gz LLPRPXWBDSECQZ-QBPKDAKJSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281559631 1144897329 /nfs/dbraw/zinc/89/73/29/1144897329.db2.gz XYXCFRFOZFXZCS-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281963956 1144924327 /nfs/dbraw/zinc/92/43/27/1144924327.db2.gz ANEOBEMCBNAWTO-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316616403 1144927437 /nfs/dbraw/zinc/92/74/37/1144927437.db2.gz MKKDUBXVQWLOGN-SOLBZPMBSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001316617724 1145004044 /nfs/dbraw/zinc/00/40/44/1145004044.db2.gz BEVTZDUKQVQQFY-IYBDPMFKSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001282260153 1145025775 /nfs/dbraw/zinc/02/57/75/1145025775.db2.gz BJIKYGRCANDRCJ-LXPRWKDFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001283557253 1145519382 /nfs/dbraw/zinc/51/93/82/1145519382.db2.gz OTGIMBVZFMRLDF-DLBZAZTESA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001283557256 1145520699 /nfs/dbraw/zinc/52/06/99/1145520699.db2.gz OTGIMBVZFMRLDF-SJORKVTESA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001284720201 1145894832 /nfs/dbraw/zinc/89/48/32/1145894832.db2.gz WLZYZWKUFAGFBJ-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001366148640 1147079315 /nfs/dbraw/zinc/07/93/15/1147079315.db2.gz HPXDANOINOVPKG-MELADBBJSA-N 2 0 324.856 2.386 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317422673 1147374109 /nfs/dbraw/zinc/37/41/09/1147374109.db2.gz IGTFDLADXOODLX-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317043823 1147651972 /nfs/dbraw/zinc/65/19/72/1147651972.db2.gz KDFRIAUEQURHAZ-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001317124252 1147662516 /nfs/dbraw/zinc/66/25/16/1147662516.db2.gz FSDBWRXHQRAIOV-NXOAAHMSSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317138689 1147665266 /nfs/dbraw/zinc/66/52/66/1147665266.db2.gz VBGBKNFIAMHYEK-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001367277310 1147673055 /nfs/dbraw/zinc/67/30/55/1147673055.db2.gz OWGBIRBQMIJNRE-UKRRQHHQSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001317204092 1147676147 /nfs/dbraw/zinc/67/61/47/1147676147.db2.gz ATKTUXHJPYFZLA-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317373928 1147698630 /nfs/dbraw/zinc/69/86/30/1147698630.db2.gz AQLSNBQMZXAAJY-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317436463 1147708278 /nfs/dbraw/zinc/70/82/78/1147708278.db2.gz RMJNJFOURLMNKA-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001317553558 1147724392 /nfs/dbraw/zinc/72/43/92/1147724392.db2.gz NDRCWQRTCYDBKY-UHFFFAOYSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317781411 1147751618 /nfs/dbraw/zinc/75/16/18/1147751618.db2.gz CSNQSAAAHGUDAD-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317786492 1147752381 /nfs/dbraw/zinc/75/23/81/1147752381.db2.gz AJXDZVDCOPZMND-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317854239 1147757824 /nfs/dbraw/zinc/75/78/24/1147757824.db2.gz OFBGEJZQAABPDC-INIZCTEOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001318347382 1147814349 /nfs/dbraw/zinc/81/43/49/1147814349.db2.gz YALXPQMBCBHUEE-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001324753711 1147840400 /nfs/dbraw/zinc/84/04/00/1147840400.db2.gz WYIIGVQEWUSODO-GOSISDBHSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001325581692 1147955672 /nfs/dbraw/zinc/95/56/72/1147955672.db2.gz NKGXBYKLJZVHSR-FUHWJXTLSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001326419826 1148097363 /nfs/dbraw/zinc/09/73/63/1148097363.db2.gz SEYBXRVBOHSWHX-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326480882 1148110175 /nfs/dbraw/zinc/11/01/75/1148110175.db2.gz OGCWAQRXMUYPTO-RHSMWYFYSA-N 2 0 301.434 2.234 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001326512714 1148125712 /nfs/dbraw/zinc/12/57/12/1148125712.db2.gz JVAFAQRABQCOIX-QAQDUYKDSA-N 2 0 319.493 2.149 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cn2)CC1 ZINC000192645172 529777798 /nfs/dbraw/zinc/77/77/98/529777798.db2.gz GMSQCJDMZAGZMH-RDJZCZTQSA-N 2 0 313.449 2.005 20 30 DEEDRP CC(C)C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000083030695 355461403 /nfs/dbraw/zinc/46/14/03/355461403.db2.gz JQFYNMALBNZCKS-HOCLYGCPSA-N 2 0 318.465 2.391 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000581067396 357125323 /nfs/dbraw/zinc/12/53/23/357125323.db2.gz RQZBPACHWYZRGF-UHFFFAOYSA-N 2 0 310.445 2.426 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662689124 540333906 /nfs/dbraw/zinc/33/39/06/540333906.db2.gz DYRDWVDQPDADDI-MJGOQNOKSA-N 2 0 315.461 2.412 20 30 DEEDRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCCCCC1 ZINC000594446408 358274223 /nfs/dbraw/zinc/27/42/23/358274223.db2.gz SQONOXQIRFDKKP-OAHLLOKOSA-N 2 0 308.470 2.168 20 30 DEEDRP C=CC[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000680484075 542012342 /nfs/dbraw/zinc/01/23/42/542012342.db2.gz DQZHLSTUBPTROE-QGZVFWFLSA-N 2 0 317.477 2.244 20 30 DEEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424143874 296312880 /nfs/dbraw/zinc/31/28/80/296312880.db2.gz GSQCUWJCJNYSAU-IKGGRYGDSA-N 2 0 320.481 2.121 20 30 DEEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424143876 296313594 /nfs/dbraw/zinc/31/35/94/296313594.db2.gz GSQCUWJCJNYSAU-ZACQAIPSSA-N 2 0 320.481 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001327434666 1148554501 /nfs/dbraw/zinc/55/45/01/1148554501.db2.gz BVYUUKGLVQKJQY-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1C#N ZINC000340194889 131125758 /nfs/dbraw/zinc/12/57/58/131125758.db2.gz OLQPAUKZCKYYLH-UHFFFAOYSA-N 2 0 317.433 2.109 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327450058 1148557598 /nfs/dbraw/zinc/55/75/98/1148557598.db2.gz WFGVLCZVJIRYMB-MRXNPFEDSA-N 2 0 307.482 2.406 20 30 DEEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841311 401911516 /nfs/dbraw/zinc/91/15/16/401911516.db2.gz ZUNVHKHVCXBBMB-MRXNPFEDSA-N 2 0 314.433 2.160 20 30 DEEDRP C=CC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121216004 402021025 /nfs/dbraw/zinc/02/10/25/402021025.db2.gz XKUAALUAHMMRTL-INIZCTEOSA-N 2 0 315.461 2.274 20 30 DEEDRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)ccn2)CC1 ZINC000185781496 402376593 /nfs/dbraw/zinc/37/65/93/402376593.db2.gz JHKUDNZZCPVAPB-WBVHZDCISA-N 2 0 313.449 2.005 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000171734956 402616268 /nfs/dbraw/zinc/61/62/68/402616268.db2.gz MDSPQAKWJRPKLF-MRXNPFEDSA-N 2 0 322.497 2.056 20 30 DEEDRP CN(C(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000181469747 402646539 /nfs/dbraw/zinc/64/65/39/402646539.db2.gz XVQCOVMNJUADDB-UHFFFAOYSA-N 2 0 300.450 2.308 20 30 DEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181691675 402654756 /nfs/dbraw/zinc/65/47/56/402654756.db2.gz HKRKXCALVBIAHY-IAGOWNOFSA-N 2 0 314.477 2.482 20 30 DEEDRP Cc1cc(C)cc(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000281872189 403100015 /nfs/dbraw/zinc/10/00/15/403100015.db2.gz WIZJUNZVQVOWMP-UHFFFAOYSA-N 2 0 317.481 2.056 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000269476991 403142398 /nfs/dbraw/zinc/14/23/98/403142398.db2.gz VTGMMZBJAYLDOX-HNNXBMFYSA-N 2 0 306.454 2.313 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000295125677 403767742 /nfs/dbraw/zinc/76/77/42/403767742.db2.gz ZEGGHTQXQXYZOL-HNNXBMFYSA-N 2 0 315.417 2.249 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000362857789 403993735 /nfs/dbraw/zinc/99/37/35/403993735.db2.gz YAANRYIJVJLKPX-KRWDZBQOSA-N 2 0 322.497 2.009 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000357181481 404730482 /nfs/dbraw/zinc/73/04/82/404730482.db2.gz VFFNRAVRPITUBZ-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353276873 404789428 /nfs/dbraw/zinc/78/94/28/404789428.db2.gz UEBVFIMNAIDWDF-LJQANCHMSA-N 2 0 312.461 2.161 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000417069954 405025731 /nfs/dbraw/zinc/02/57/31/405025731.db2.gz UXZZSKRUWMNHPA-BRWVUGGUSA-N 2 0 322.497 2.125 20 30 DEEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354402959 405197296 /nfs/dbraw/zinc/19/72/96/405197296.db2.gz YLSYMNDSNNPLGU-UHFFFAOYSA-N 2 0 317.433 2.219 20 30 DEEDRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423461909 405814149 /nfs/dbraw/zinc/81/41/49/405814149.db2.gz TXMNQMZRHFUJGM-OAHLLOKOSA-N 2 0 300.450 2.240 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635531596 406577095 /nfs/dbraw/zinc/57/70/95/406577095.db2.gz USZLRNSEUWSBRQ-QGZVFWFLSA-N 2 0 305.466 2.160 20 30 DEEDRP C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(OCC#N)cc1 ZINC000834849660 649854279 /nfs/dbraw/zinc/85/42/79/649854279.db2.gz DUNFDNLRIKZNHI-DOTOQJQBSA-N 2 0 317.433 2.086 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C(C)C ZINC000655444349 425567322 /nfs/dbraw/zinc/56/73/22/425567322.db2.gz COUIIBQSWVNYDQ-LMMKCTJWSA-N 2 0 319.493 2.191 20 30 DEEDRP C=CC[C@]1(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662669325 425707791 /nfs/dbraw/zinc/70/77/91/425707791.db2.gz PUHJGNUECDUNRI-LJQANCHMSA-N 2 0 315.461 2.323 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CCC[NH2+]1 ZINC000662702096 425717024 /nfs/dbraw/zinc/71/70/24/425717024.db2.gz WLKHZHDBEMBGTQ-SJLPKXTDSA-N 2 0 307.482 2.456 20 30 DEEDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360650948 277032129 /nfs/dbraw/zinc/03/21/29/277032129.db2.gz ZSEYPEZGIAKEED-SFHVURJKSA-N 2 0 313.445 2.372 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970617 782090763 /nfs/dbraw/zinc/09/07/63/782090763.db2.gz HUVGFFNYELZFNS-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP CC1CC[NH+](Cc2cccc(CNC3=[NH+]CCN3C)c2)CC1 ZINC000262640938 333867314 /nfs/dbraw/zinc/86/73/14/333867314.db2.gz HSYABSMBFHCYES-UHFFFAOYSA-N 2 0 300.450 2.310 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000173161028 340359208 /nfs/dbraw/zinc/35/92/08/340359208.db2.gz CUOYNJQWBUNKGK-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC001357327549 1152288930 /nfs/dbraw/zinc/28/89/30/1152288930.db2.gz XHSRRRAXIRDDMZ-HZPDHXFCSA-N 2 0 307.413 2.228 20 30 DEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N(C)Cc1ccon1 ZINC000261698216 526350720 /nfs/dbraw/zinc/35/07/20/526350720.db2.gz FWBBYHVMIGUWJA-UHFFFAOYSA-N 2 0 321.469 2.336 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262489879 526368735 /nfs/dbraw/zinc/36/87/35/526368735.db2.gz UKKBIKUYQYQNPC-IAGOWNOFSA-N 2 0 304.482 2.478 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264119726 526575588 /nfs/dbraw/zinc/57/55/88/526575588.db2.gz UOWHMZCUTQAURT-AWEZNQCLSA-N 2 0 306.479 2.441 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417544574 526590818 /nfs/dbraw/zinc/59/08/18/526590818.db2.gz WFQVPXZKMLAANZ-KRWDZBQOSA-N 2 0 316.449 2.026 20 30 DEEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291001 527722045 /nfs/dbraw/zinc/72/20/45/527722045.db2.gz PYMJXMTYPRMYED-KRWDZBQOSA-N 2 0 302.466 2.459 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccs1 ZINC000267376885 529100946 /nfs/dbraw/zinc/10/09/46/529100946.db2.gz ADDNGRQMKQSWQS-ZDUSSCGKSA-N 2 0 308.495 2.414 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001327940988 1148681999 /nfs/dbraw/zinc/68/19/99/1148681999.db2.gz OWDRMWBMUFPFKR-DLBZAZTESA-N 2 0 321.509 2.489 20 30 DEEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001330538251 1149183317 /nfs/dbraw/zinc/18/33/17/1149183317.db2.gz OFOVDALIASIVTM-KDURUIRLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023561421 625325983 /nfs/dbraw/zinc/32/59/83/625325983.db2.gz ZYEWNNQQGBKJHR-HNNXBMFYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023650964 625373167 /nfs/dbraw/zinc/37/31/67/625373167.db2.gz HHLYYHRQXWNDBE-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008280150 625420221 /nfs/dbraw/zinc/42/02/21/625420221.db2.gz RURVPSANTWIUCT-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]12 ZINC001026429509 625453090 /nfs/dbraw/zinc/45/30/90/625453090.db2.gz XZGVHELDHRBYSD-KZNAEPCWSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]12 ZINC001026429506 625453116 /nfs/dbraw/zinc/45/31/16/625453116.db2.gz XZGVHELDHRBYSD-FGTMMUONSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470509 625465530 /nfs/dbraw/zinc/46/55/30/625465530.db2.gz YKINQCMEEIICOZ-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969836358 622941381 /nfs/dbraw/zinc/94/13/81/622941381.db2.gz LYYWDZUFYJWSJM-QAPCUYQASA-N 2 0 319.493 2.406 20 30 DEEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719262 623640153 /nfs/dbraw/zinc/64/01/53/623640153.db2.gz PGTXXMUDXQKVBJ-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970955731 623834016 /nfs/dbraw/zinc/83/40/16/623834016.db2.gz YNLZGKPLEYGLIH-CQSZACIVSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001022493237 624697567 /nfs/dbraw/zinc/69/75/67/624697567.db2.gz OHLJPNNWLJMGLR-CALCHBBNSA-N 2 0 315.461 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024811850 625064721 /nfs/dbraw/zinc/06/47/21/625064721.db2.gz BZGURQPXVGDCTN-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023411008 625257891 /nfs/dbraw/zinc/25/78/91/625257891.db2.gz YUUUYGWVYVLPAF-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007495107 625269693 /nfs/dbraw/zinc/26/96/93/625269693.db2.gz IMHMQWQPSBUWTL-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468095 625794652 /nfs/dbraw/zinc/79/46/52/625794652.db2.gz IFPGOLUJEMSDPP-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001019823640 625838841 /nfs/dbraw/zinc/83/88/41/625838841.db2.gz OYEHNRFYPXJKGG-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999036306 634464972 /nfs/dbraw/zinc/46/49/72/634464972.db2.gz SEHUWJGQIIWCMI-OFLPRAFFSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000999350870 634569866 /nfs/dbraw/zinc/56/98/66/634569866.db2.gz BYCJKUSOHZAPJS-DOTOQJQBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1(C)C ZINC000996103993 633185580 /nfs/dbraw/zinc/18/55/80/633185580.db2.gz ZFTAXDDYCCSBCB-SJORKVTESA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686910 633236230 /nfs/dbraw/zinc/23/62/30/633236230.db2.gz ZBTPJQAAMAQXMC-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000996526186 633275041 /nfs/dbraw/zinc/27/50/41/633275041.db2.gz ZFJWHSVXTHSFMA-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865812 633340689 /nfs/dbraw/zinc/34/06/89/633340689.db2.gz VQJBYTOXFKBOQM-SJORKVTESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC000996672355 633345740 /nfs/dbraw/zinc/34/57/40/633345740.db2.gz FRFJCRCTKMGPRY-HOTGVXAUSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3nccn32)CC1 ZINC000998064383 634128749 /nfs/dbraw/zinc/12/87/49/634128749.db2.gz RXCOBTHRJZFVJS-MRXNPFEDSA-N 2 0 324.428 2.284 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000836918863 650146032 /nfs/dbraw/zinc/14/60/32/650146032.db2.gz BXEAMWYPVOZZPD-INIZCTEOSA-N 2 0 315.461 2.085 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027614846 634292409 /nfs/dbraw/zinc/29/24/09/634292409.db2.gz GPAZLOABJKGZOS-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980187068 634884139 /nfs/dbraw/zinc/88/41/39/634884139.db2.gz QFPFZLQERNPOEY-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980189466 634885470 /nfs/dbraw/zinc/88/54/70/634885470.db2.gz WVSLRGGTQBJKCL-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027919014 634966445 /nfs/dbraw/zinc/96/64/45/634966445.db2.gz SFAOGQAXQRMTOR-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027920362 634967062 /nfs/dbraw/zinc/96/70/62/634967062.db2.gz HYGWZTIPVJUREH-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980472658 635013698 /nfs/dbraw/zinc/01/36/98/635013698.db2.gz VZIOHOZKVGPARH-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000882425 635329232 /nfs/dbraw/zinc/32/92/32/635329232.db2.gz BDUYGGCHQBPSCR-KRWDZBQOSA-N 2 0 305.466 2.041 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981153415 635335052 /nfs/dbraw/zinc/33/50/52/635335052.db2.gz ZRYVJMVLFMCRIY-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000981180621 635347243 /nfs/dbraw/zinc/34/72/43/635347243.db2.gz DUNDERTVMGJXSD-GJZGRUSLSA-N 2 0 312.417 2.459 20 30 DEEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC000981846751 635686687 /nfs/dbraw/zinc/68/66/87/635686687.db2.gz MRTUWRBBWYBEDF-UHFFFAOYSA-N 2 0 310.401 2.287 20 30 DEEDRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2csc(C#N)c2)CC1 ZINC000922012468 635806527 /nfs/dbraw/zinc/80/65/27/635806527.db2.gz RXQSFARKKYXLGN-UHFFFAOYSA-N 2 0 306.479 2.125 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982152088 635891112 /nfs/dbraw/zinc/89/11/12/635891112.db2.gz RKJREYSKJFPTNI-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292613 635950994 /nfs/dbraw/zinc/95/09/94/635950994.db2.gz QOLVKQFIMDTGCI-YTQUADARSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001003481997 635978169 /nfs/dbraw/zinc/97/81/69/635978169.db2.gz PQJPDYKGORDPNR-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647447 636544557 /nfs/dbraw/zinc/54/45/57/636544557.db2.gz IGQQAMNVSLVVLB-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005496111 636751395 /nfs/dbraw/zinc/75/13/95/636751395.db2.gz GGJWVQSASICJSR-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005772611 636836065 /nfs/dbraw/zinc/83/60/65/636836065.db2.gz KFQUQNPMBCFMIN-SFHVURJKSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005872305 636920585 /nfs/dbraw/zinc/92/05/85/636920585.db2.gz VGGYOINIQPEPDK-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005999140 637064423 /nfs/dbraw/zinc/06/44/23/637064423.db2.gz YLPZHLFXQANOEO-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC000895672079 638143685 /nfs/dbraw/zinc/14/36/85/638143685.db2.gz VYZOLFYJMWHSDH-HKUYNNGSSA-N 2 0 319.493 2.287 20 30 DEEDRP C#C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCO1 ZINC000775574173 642061398 /nfs/dbraw/zinc/06/13/98/642061398.db2.gz NZKKSCGAEHYNNL-ZYSHUDEJSA-N 2 0 316.445 2.458 20 30 DEEDRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H](C)c2cccc(C#N)c2)cnn1C ZINC000903950820 643527228 /nfs/dbraw/zinc/52/72/28/643527228.db2.gz RNFXNHZVCFXXIN-CJNGLKHVSA-N 2 0 311.433 2.068 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991044986 643621696 /nfs/dbraw/zinc/62/16/96/643621696.db2.gz SENJBIKSXWOVBZ-ZIFCJYIRSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000907449578 644557315 /nfs/dbraw/zinc/55/73/15/644557315.db2.gz XNKZFIHZSOATGM-NVXWUHKLSA-N 2 0 303.450 2.302 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000908206254 644783478 /nfs/dbraw/zinc/78/34/78/644783478.db2.gz GJNKDYLSNOMPMU-INIZCTEOSA-N 2 0 307.413 2.053 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000909920593 645244315 /nfs/dbraw/zinc/24/43/15/645244315.db2.gz NRFAFBXRWVUOOL-UHFFFAOYSA-N 2 0 319.449 2.382 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991858806 646671513 /nfs/dbraw/zinc/67/15/13/646671513.db2.gz HLCXMXOVENSFOW-WMZOPIPTSA-N 2 0 310.401 2.247 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991866045 646676065 /nfs/dbraw/zinc/67/60/65/646676065.db2.gz ZFXPDDWQTOUYDE-HKUYNNGSSA-N 2 0 322.412 2.084 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992288784 646930667 /nfs/dbraw/zinc/93/06/67/646930667.db2.gz SNECTZFVZKUSHO-MJGOQNOKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992435935 647001512 /nfs/dbraw/zinc/00/15/12/647001512.db2.gz VQXUYPLWZHCRBC-SOLBZPMBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993481734 647684178 /nfs/dbraw/zinc/68/41/78/647684178.db2.gz SGOOCACYGKVEQE-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993681361 647724795 /nfs/dbraw/zinc/72/47/95/647724795.db2.gz GVCLJJRJYOFWAM-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994134666 647791967 /nfs/dbraw/zinc/79/19/67/647791967.db2.gz PORDLELOVZQWKD-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP [NH2+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCCC1 ZINC000179738447 648414401 /nfs/dbraw/zinc/41/44/01/648414401.db2.gz ASHPPIZYNXVNOZ-UHFFFAOYSA-N 2 0 315.465 2.489 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754354 648940102 /nfs/dbraw/zinc/94/01/02/648940102.db2.gz WUCGNKNNBCSZMU-ARFHVFGLSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785583 648941036 /nfs/dbraw/zinc/94/10/36/648941036.db2.gz OIHWHURKPBQCJT-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863649 648957723 /nfs/dbraw/zinc/95/77/23/648957723.db2.gz FREQQDRJJRVJOR-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853240 648959590 /nfs/dbraw/zinc/95/95/90/648959590.db2.gz OTPKETFULQWLIS-QGZVFWFLSA-N 2 0 324.428 2.106 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076267 648995516 /nfs/dbraw/zinc/99/55/16/648995516.db2.gz VBLJMIMLYCHWKQ-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#C[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCOCC1 ZINC000827566695 649052369 /nfs/dbraw/zinc/05/23/69/649052369.db2.gz YXCKWOMTLFYQGV-SFHVURJKSA-N 2 0 310.401 2.094 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000848987116 651572181 /nfs/dbraw/zinc/57/21/81/651572181.db2.gz QLXJECZJHLWTEI-MRXNPFEDSA-N 2 0 306.454 2.455 20 30 DEEDRP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858329505 652308302 /nfs/dbraw/zinc/30/83/02/652308302.db2.gz GMXHMHPWRFQLFP-UHFFFAOYSA-N 2 0 322.412 2.158 20 30 DEEDRP CCc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000304761771 685259961 /nfs/dbraw/zinc/25/99/61/685259961.db2.gz UVPONBBVIRIRQG-KRWDZBQOSA-N 2 0 302.466 2.180 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000156278829 684287738 /nfs/dbraw/zinc/28/77/38/684287738.db2.gz WMZUVNAAPJNIOX-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129741 693856246 /nfs/dbraw/zinc/85/62/46/693856246.db2.gz YOYJDFGCNZLUNY-HKUYNNGSSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199387 693878466 /nfs/dbraw/zinc/87/84/66/693878466.db2.gz VOUWVMYPWWNNCE-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054197883 693879722 /nfs/dbraw/zinc/87/97/22/693879722.db2.gz KVMVPRJCVKDBAY-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054245496 693898752 /nfs/dbraw/zinc/89/87/52/693898752.db2.gz UFFCCLLPDIAFFI-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000246902535 685138613 /nfs/dbraw/zinc/13/86/13/685138613.db2.gz FQXSVJMCSVTBGB-HZPDHXFCSA-N 2 0 300.450 2.105 20 30 DEEDRP CCO[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000253355007 685195941 /nfs/dbraw/zinc/19/59/41/685195941.db2.gz AEJNCCZMWSKMGO-IAGOWNOFSA-N 2 0 318.465 2.153 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(Cl)cc1 ZINC000303772972 685233365 /nfs/dbraw/zinc/23/33/65/685233365.db2.gz DYOMAYNAKYMHDX-CQSZACIVSA-N 2 0 324.856 2.107 20 30 DEEDRP [NH2+]=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCSCC1 ZINC000303775428 685234392 /nfs/dbraw/zinc/23/43/92/685234392.db2.gz GVXDOGVQMDOBOZ-INIZCTEOSA-N 2 0 318.490 2.187 20 30 DEEDRP [NH2+]=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCSCC1 ZINC000303775430 685234719 /nfs/dbraw/zinc/23/47/19/685234719.db2.gz GVXDOGVQMDOBOZ-MRXNPFEDSA-N 2 0 318.490 2.187 20 30 DEEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000303870846 685236371 /nfs/dbraw/zinc/23/63/71/685236371.db2.gz FOYYYELWTLEJSP-IAGOWNOFSA-N 3 0 323.529 2.030 20 30 DEEDRP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)C[NH+]1CCCCC1 ZINC000303866003 685236916 /nfs/dbraw/zinc/23/69/16/685236916.db2.gz CBQDLEGFPASIOQ-INIZCTEOSA-N 2 0 302.466 2.255 20 30 DEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)C1 ZINC000303896708 685238663 /nfs/dbraw/zinc/23/86/63/685238663.db2.gz USWMZJHZPAYRGA-ZDUSSCGKSA-N 2 0 320.437 2.162 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc(C(C)C)n1 ZINC000303983044 685242147 /nfs/dbraw/zinc/24/21/47/685242147.db2.gz QVKPGNFENZTTEI-AWEZNQCLSA-N 2 0 323.510 2.198 20 30 DEEDRP CC[NH2+]CC1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866662091 687643984 /nfs/dbraw/zinc/64/39/84/687643984.db2.gz WWPRXXJUAOJSQT-QGZVFWFLSA-N 2 0 315.417 2.094 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016820897 687709824 /nfs/dbraw/zinc/70/98/24/687709824.db2.gz WHSAVEPGPOIVKC-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016987649 687750620 /nfs/dbraw/zinc/75/06/20/687750620.db2.gz YFESGQZNOQDYSQ-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001017942188 688006843 /nfs/dbraw/zinc/00/68/43/688006843.db2.gz OCRWQLQHCIGYDT-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cnc[nH]1 ZINC001018179162 688072249 /nfs/dbraw/zinc/07/22/49/688072249.db2.gz DESZEWDXOUILNO-GASCZTMLSA-N 2 0 316.449 2.329 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018968176 688263831 /nfs/dbraw/zinc/26/38/31/688263831.db2.gz XAAVJPPEFCHBCH-GJZGRUSLSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001019593007 688378565 /nfs/dbraw/zinc/37/85/65/688378565.db2.gz CZLXZORSPQQIOJ-HNNXBMFYSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921907 689021416 /nfs/dbraw/zinc/02/14/16/689021416.db2.gz MQXPHDLGKXHTHR-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033147082 689404688 /nfs/dbraw/zinc/40/46/88/689404688.db2.gz SAIYRIAQFPWYAE-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855062 689639732 /nfs/dbraw/zinc/63/97/32/689639732.db2.gz GNMJLZKCFNNXRU-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034213415 689765743 /nfs/dbraw/zinc/76/57/43/689765743.db2.gz XVPUEPASLBWHFT-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340030 689814389 /nfs/dbraw/zinc/81/43/89/689814389.db2.gz LJABUFZVOLLYAO-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000876740349 689922748 /nfs/dbraw/zinc/92/27/48/689922748.db2.gz LTCQWBBZOOHOKU-UONOGXRCSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000876717607 689913986 /nfs/dbraw/zinc/91/39/86/689913986.db2.gz FTWFMCKHHCHGAN-AWEZNQCLSA-N 2 0 311.813 2.035 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000876735233 689920494 /nfs/dbraw/zinc/92/04/94/689920494.db2.gz BZLIZZYKCAYZQX-BPUTZDHNSA-N 2 0 321.852 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000876736360 689921438 /nfs/dbraw/zinc/92/14/38/689921438.db2.gz KAPFDNRKGBLYPS-BZPMIXESSA-N 2 0 315.889 2.329 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001034756323 689941522 /nfs/dbraw/zinc/94/15/22/689941522.db2.gz HJYQPINGWIUZAH-IYARVYRRSA-N 2 0 313.445 2.012 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877447649 690116037 /nfs/dbraw/zinc/11/60/37/690116037.db2.gz ZNUCMXBXMWIHBP-XIRDDKMYSA-N 2 0 320.481 2.154 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810697 690183073 /nfs/dbraw/zinc/18/30/73/690183073.db2.gz PUTBKAFRPSTECF-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001036092394 690258035 /nfs/dbraw/zinc/25/80/35/690258035.db2.gz DBQUYXDAXJMMCU-SUMWQHHRSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759880 690462398 /nfs/dbraw/zinc/46/23/98/690462398.db2.gz RWYNTHGSHVLCTQ-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036763022 690463446 /nfs/dbraw/zinc/46/34/46/690463446.db2.gz UIMCAQHSZTYEJR-WMZOPIPTSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250098 690758509 /nfs/dbraw/zinc/75/85/09/690758509.db2.gz YKBBFDAFJSNNSS-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039216246 691057472 /nfs/dbraw/zinc/05/74/72/691057472.db2.gz ZATXDFKPFSPTJO-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242781 691066207 /nfs/dbraw/zinc/06/62/07/691066207.db2.gz RDDQMVANGMUJOK-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039289732 691075785 /nfs/dbraw/zinc/07/57/85/691075785.db2.gz XTZDAHWUBVDAFB-NPYXIHBLSA-N 2 0 305.466 2.014 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399470 691097389 /nfs/dbraw/zinc/09/73/89/691097389.db2.gz AUJKYOBICJRGAN-SJORKVTESA-N 2 0 317.477 2.256 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040241562 691219355 /nfs/dbraw/zinc/21/93/55/691219355.db2.gz PDKHARCWYJAAFW-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040493263 691256052 /nfs/dbraw/zinc/25/60/52/691256052.db2.gz JFISKPRXGXGSCG-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040641118 691275853 /nfs/dbraw/zinc/27/58/53/691275853.db2.gz KFYUJRNGIGAVKK-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040746749 691284679 /nfs/dbraw/zinc/28/46/79/691284679.db2.gz GZJYLMYSLUMSJE-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040875160 691294986 /nfs/dbraw/zinc/29/49/86/691294986.db2.gz UFXUTPGINPJSEP-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285375 691355100 /nfs/dbraw/zinc/35/51/00/691355100.db2.gz DQEIVFVSIHYWER-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041374298 691369145 /nfs/dbraw/zinc/36/91/45/691369145.db2.gz DOAAOCHQKFOLLO-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446492 691376809 /nfs/dbraw/zinc/37/68/09/691376809.db2.gz SYUHVYNAWKSRPN-LJQANCHMSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845720 691444150 /nfs/dbraw/zinc/44/41/50/691444150.db2.gz OSICJIRNLLDNEF-HKUYNNGSSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCO1 ZINC000883186103 691452371 /nfs/dbraw/zinc/45/23/71/691452371.db2.gz LJMNOKUKGGOHLA-RTBURBONSA-N 2 0 323.525 2.363 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233037 691542375 /nfs/dbraw/zinc/54/23/75/691542375.db2.gz BXMUSFJHTDJCRD-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)C(C)C ZINC000884192139 691678813 /nfs/dbraw/zinc/67/88/13/691678813.db2.gz XDKLISFPHRFLNN-CVEARBPZSA-N 2 0 307.482 2.047 20 30 DEEDRP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000886021555 691985681 /nfs/dbraw/zinc/98/56/81/691985681.db2.gz YUUZCYPBUMFQBD-DLBZAZTESA-N 2 0 305.466 2.239 20 30 DEEDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886100244 692003518 /nfs/dbraw/zinc/00/35/18/692003518.db2.gz IYRJQHWKCIFLCE-QGZVFWFLSA-N 2 0 307.482 2.485 20 30 DEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)CC3(C#N)CCC3)C2)CC1 ZINC000886186282 692020442 /nfs/dbraw/zinc/02/04/42/692020442.db2.gz UMXPEOGDBMLQFT-INIZCTEOSA-N 2 0 305.466 2.239 20 30 DEEDRP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947244 692059847 /nfs/dbraw/zinc/05/98/47/692059847.db2.gz JPLWJWJRAIPCDA-MJGOQNOKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046706756 692268373 /nfs/dbraw/zinc/26/83/73/692268373.db2.gz LBOYHUJBPDHRSD-SFHVURJKSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048862501 692712057 /nfs/dbraw/zinc/71/20/57/692712057.db2.gz WRMHAQUYVBRMBL-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615454 692940755 /nfs/dbraw/zinc/94/07/55/692940755.db2.gz KCSJPADCBROVDI-KZNAEPCWSA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]cnc1C ZINC001049867820 693030261 /nfs/dbraw/zinc/03/02/61/693030261.db2.gz PRKIDJKEIMJUMS-SJORKVTESA-N 2 0 316.449 2.292 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001050664653 693227463 /nfs/dbraw/zinc/22/74/63/693227463.db2.gz PJAMVQCFOHAGPQ-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP CC1(C)[NH2+]CC[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000925704064 693327151 /nfs/dbraw/zinc/32/71/51/693327151.db2.gz XNBLOCHFZNGNHH-GOSISDBHSA-N 2 0 312.461 2.253 20 30 DEEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925816970 693347568 /nfs/dbraw/zinc/34/75/68/693347568.db2.gz KJBZJHNOHPZTEA-OALUTQOASA-N 2 0 312.461 2.264 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)c1ccc(-n2ccnc2)cc1)C(C)(C)C ZINC001332839751 1149898923 /nfs/dbraw/zinc/89/89/23/1149898923.db2.gz ZOGUTVVSCBHEOT-KRWDZBQOSA-N 2 0 324.428 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001379513496 1152634995 /nfs/dbraw/zinc/63/49/95/1152634995.db2.gz KUASKGRRVWFVPR-NSHDSACASA-N 2 0 315.870 2.270 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001380096053 1152749601 /nfs/dbraw/zinc/74/96/01/1152749601.db2.gz ORVRBOHGNWWFAD-CYBMUJFWSA-N 2 0 303.878 2.200 20 30 DEEDRP C[C@@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC001363291151 1153317050 /nfs/dbraw/zinc/31/70/50/1153317050.db2.gz XPMHVOUKKLBGCW-BEFAXECRSA-N 2 0 322.412 2.197 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001388794206 1155090331 /nfs/dbraw/zinc/09/03/31/1155090331.db2.gz IQIHXCZOAWPOEN-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001389329296 1155311357 /nfs/dbraw/zinc/31/13/57/1155311357.db2.gz VVRXFGQHDRZYIN-LSDHHAIUSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001393951012 1158094618 /nfs/dbraw/zinc/09/46/18/1158094618.db2.gz OHBBLLKUVKQQFQ-VXGBXAGGSA-N 2 0 320.824 2.492 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001375767175 1158866186 /nfs/dbraw/zinc/86/61/86/1158866186.db2.gz WXXUZCFDVKKFMJ-KKUMJFAQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001375793865 1158873896 /nfs/dbraw/zinc/87/38/96/1158873896.db2.gz QTGPBCJIXSXCSO-HNNXBMFYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001375796321 1158874231 /nfs/dbraw/zinc/87/42/31/1158874231.db2.gz MKPOJUXUQGMYAK-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001375796319 1158874256 /nfs/dbraw/zinc/87/42/56/1158874256.db2.gz MKPOJUXUQGMYAK-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001375796324 1158874837 /nfs/dbraw/zinc/87/48/37/1158874837.db2.gz MKPOJUXUQGMYAK-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001376259307 1159299359 /nfs/dbraw/zinc/29/93/59/1159299359.db2.gz UCGKDRIVALFFTK-AWEZNQCLSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001376290015 1159317560 /nfs/dbraw/zinc/31/75/60/1159317560.db2.gz GSJCHQMJPNSUAP-HNNXBMFYSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376549219 1159529755 /nfs/dbraw/zinc/52/97/55/1159529755.db2.gz SSVSEALGPYAPOD-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401279423 1161914175 /nfs/dbraw/zinc/91/41/75/1161914175.db2.gz DLEUVSZQJOZSAH-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001420811682 1171191219 /nfs/dbraw/zinc/19/12/19/1171191219.db2.gz ZOIUUZWNUHJHHL-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001438832176 1180824995 /nfs/dbraw/zinc/82/49/95/1180824995.db2.gz XHYREKQATNHPKX-AWEZNQCLSA-N 2 0 317.905 2.447 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001122210694 782477489 /nfs/dbraw/zinc/47/74/89/782477489.db2.gz OXPAWYPIVFVLFO-RDJZCZTQSA-N 2 0 307.482 2.298 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCC1)C(C)(C)C ZINC001332897598 1149919472 /nfs/dbraw/zinc/91/94/72/1149919472.db2.gz CYHGGBOOVOTLSE-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571025 782791377 /nfs/dbraw/zinc/79/13/77/782791377.db2.gz KHNSZXBRZUDQKV-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667873 782843200 /nfs/dbraw/zinc/84/32/00/782843200.db2.gz AKVPXNRMORQKGP-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668151 782843328 /nfs/dbraw/zinc/84/33/28/782843328.db2.gz FJIWZONRDVZPDJ-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089443172 783111559 /nfs/dbraw/zinc/11/15/59/783111559.db2.gz YQPPILMBWADKJO-MRXNPFEDSA-N 2 0 324.428 2.188 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493211 783158968 /nfs/dbraw/zinc/15/89/68/783158968.db2.gz UVRFGJOUWAPGNC-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089560235 783208628 /nfs/dbraw/zinc/20/86/28/783208628.db2.gz XFJIGDKXAZXHRM-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001099358104 783223600 /nfs/dbraw/zinc/22/36/00/783223600.db2.gz DNQJLAJFHUQQSQ-OAHLLOKOSA-N 2 0 304.438 2.066 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001136670657 790416196 /nfs/dbraw/zinc/41/61/96/790416196.db2.gz MMPRPRIIKLKNHP-UHFFFAOYSA-N 2 0 317.433 2.256 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301605 777753119 /nfs/dbraw/zinc/75/31/19/777753119.db2.gz FRUTUBRDSRFMKB-ZACQAIPSSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161239547 778792673 /nfs/dbraw/zinc/79/26/73/778792673.db2.gz IXWBVGAZIKUCKQ-KRWDZBQOSA-N 2 0 307.482 2.431 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@H]1CC ZINC001087625511 779384039 /nfs/dbraw/zinc/38/40/39/779384039.db2.gz KRPYTLYUELTZGE-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726802 779426203 /nfs/dbraw/zinc/42/62/03/779426203.db2.gz SRHGKHLITFVPQM-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993503 779621690 /nfs/dbraw/zinc/62/16/90/779621690.db2.gz QJUGPRJNJIKRRC-SQNIBIBYSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001088000254 779624684 /nfs/dbraw/zinc/62/46/84/779624684.db2.gz WZXIOVCAVHCXPL-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000985521087 779886286 /nfs/dbraw/zinc/88/62/86/779886286.db2.gz KVIIIEUUFXSKSS-UHFFFAOYSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088277614 779900680 /nfs/dbraw/zinc/90/06/80/779900680.db2.gz DIRBATVQJILSLV-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088277611 779901240 /nfs/dbraw/zinc/90/12/40/779901240.db2.gz DIRBATVQJILSLV-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311838 779935762 /nfs/dbraw/zinc/93/57/62/779935762.db2.gz IEAMJRKVRIJRHJ-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088317030 779940978 /nfs/dbraw/zinc/94/09/78/779940978.db2.gz PQIYOXVEODCFDA-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168137009 780210329 /nfs/dbraw/zinc/21/03/29/780210329.db2.gz KYHVGCSJDCTQLX-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168201006 780461876 /nfs/dbraw/zinc/46/18/76/780461876.db2.gz ZWBSIXTWMOORAJ-UHFFFAOYSA-N 2 0 319.493 2.152 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692854 780828050 /nfs/dbraw/zinc/82/80/50/780828050.db2.gz ALIMOFUAMNVCSP-IXDOHACOSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966099103 783560689 /nfs/dbraw/zinc/56/06/89/783560689.db2.gz CHCZHANTOVLMDV-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205361 783906155 /nfs/dbraw/zinc/90/61/55/783906155.db2.gz KTKZGLCYBRUNMB-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192303 784246587 /nfs/dbraw/zinc/24/65/87/784246587.db2.gz QJBBYXZZDRYZGS-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417831 784374109 /nfs/dbraw/zinc/37/41/09/784374109.db2.gz GVBMONNIXMCNIL-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856077 784621484 /nfs/dbraw/zinc/62/14/84/784621484.db2.gz DDURTYFXVPGIKO-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968916036 784648963 /nfs/dbraw/zinc/64/89/63/784648963.db2.gz XAAVJPPEFCHBCH-HUUCEWRRSA-N 2 0 313.873 2.192 20 30 DEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969096675 784725645 /nfs/dbraw/zinc/72/56/45/784725645.db2.gz BOMKAUYMTWLXMF-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007615117 784961135 /nfs/dbraw/zinc/96/11/35/784961135.db2.gz BEKKFHCNDBUXGG-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007615121 784961569 /nfs/dbraw/zinc/96/15/69/784961569.db2.gz BEKKFHCNDBUXGG-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762134 785297261 /nfs/dbraw/zinc/29/72/61/785297261.db2.gz SFIJYRUKYODJJU-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001108725674 785510796 /nfs/dbraw/zinc/51/07/96/785510796.db2.gz IKSITVJBDWYWEG-LESCRADOSA-N 2 0 324.428 2.493 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2nccn21 ZINC001171248397 791124230 /nfs/dbraw/zinc/12/42/30/791124230.db2.gz UJBASUXJWDSKLU-CABCVRRESA-N 2 0 304.438 2.211 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406063 785856875 /nfs/dbraw/zinc/85/68/75/785856875.db2.gz MRQIQCPKHSTIIH-LTIDMASMSA-N 2 0 305.466 2.014 20 30 DEEDRP 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 786088403 /nfs/dbraw/zinc/08/84/03/786088403.db2.gz LZYRQILQHFZDEX-OWSLCNJRSA-N 2 0 319.493 2.098 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533340 786125191 /nfs/dbraw/zinc/12/51/91/786125191.db2.gz HKTMOXCGYFHPIQ-VQHPVUNQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429495 787213960 /nfs/dbraw/zinc/21/39/60/787213960.db2.gz HEYJEWUGARHPBL-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269427 787600963 /nfs/dbraw/zinc/60/09/63/787600963.db2.gz RUEVPUNCIIVLSC-SQNIBIBYSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105898 787932592 /nfs/dbraw/zinc/93/25/92/787932592.db2.gz OELPGCPWBMRWEF-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132366167 788043010 /nfs/dbraw/zinc/04/30/10/788043010.db2.gz XHYBLUDEIRSWDH-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517354 788105819 /nfs/dbraw/zinc/10/58/19/788105819.db2.gz BGOXFWVKCSUPED-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457743 788272816 /nfs/dbraw/zinc/27/28/16/788272816.db2.gz MSHSONIKVGCAIJ-ZACQAIPSSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001133186409 788310260 /nfs/dbraw/zinc/31/02/60/788310260.db2.gz UOWSBJLQZBPYJE-ROUUACIJSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133212914 788320768 /nfs/dbraw/zinc/32/07/68/788320768.db2.gz GWTDPCSBZINETJ-FUHWJXTLSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133245447 788331687 /nfs/dbraw/zinc/33/16/87/788331687.db2.gz FCQJETUUGFZNJJ-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275100 788345886 /nfs/dbraw/zinc/34/58/86/788345886.db2.gz PGONJTJEIMGIOT-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274075 788346128 /nfs/dbraw/zinc/34/61/28/788346128.db2.gz AVZOZDULJKIKCK-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170789935 789189178 /nfs/dbraw/zinc/18/91/78/789189178.db2.gz RZJFVONNKZCBIE-CGTJXYLNSA-N 2 0 301.434 2.002 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101854 789199412 /nfs/dbraw/zinc/19/94/12/789199412.db2.gz SCQHGQPETPAMFZ-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135610761 789417353 /nfs/dbraw/zinc/41/73/53/789417353.db2.gz ZYGCWDMCJQNDHG-KGLIPLIRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170830540 789423717 /nfs/dbraw/zinc/42/37/17/789423717.db2.gz YJGIUURVOYABNM-SFHVURJKSA-N 2 0 303.450 2.135 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086783470 789503067 /nfs/dbraw/zinc/50/30/67/789503067.db2.gz BSJYAKOFZPPTLB-GVDBMIGSSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135900804 789552144 /nfs/dbraw/zinc/55/21/44/789552144.db2.gz BETPJIGBYPLBNJ-HZPDHXFCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944592 789569531 /nfs/dbraw/zinc/56/95/31/789569531.db2.gz MSVLOEKEWTZNGY-UONOGXRCSA-N 2 0 304.438 2.210 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001072755052 790237851 /nfs/dbraw/zinc/23/78/51/790237851.db2.gz QLAYHRADYKKIJK-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc(C3([NH3+])CCC3)cc2)cc1 ZINC001171256099 791152174 /nfs/dbraw/zinc/15/21/74/791152174.db2.gz FFQVXRODDFMPBT-UHFFFAOYSA-N 2 0 308.385 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001074767433 791289803 /nfs/dbraw/zinc/28/98/03/791289803.db2.gz XUQCRATXWUALOG-XIRDDKMYSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724651 791605241 /nfs/dbraw/zinc/60/52/41/791605241.db2.gz LRLCJPQNLSRUNL-INIZCTEOSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330140 791740969 /nfs/dbraw/zinc/74/09/69/791740969.db2.gz RRPSENNTTAAHFI-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148819829 791808169 /nfs/dbraw/zinc/80/81/69/791808169.db2.gz QMCGSWCKAASQBB-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839237 791809216 /nfs/dbraw/zinc/80/92/16/791809216.db2.gz NFCICOIUBWVIFA-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942419 791856543 /nfs/dbraw/zinc/85/65/43/791856543.db2.gz QOBMXEGCTFJFSP-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP 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 792157691 /nfs/dbraw/zinc/15/76/91/792157691.db2.gz FXJUTTXAERGLNS-VSZNYVQBSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001099321646 792171654 /nfs/dbraw/zinc/17/16/54/792171654.db2.gz ZCSHMZVYCABHTJ-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001093025062 792204851 /nfs/dbraw/zinc/20/48/51/792204851.db2.gz PJWFGBRBYGVCAF-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP 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 792233671 /nfs/dbraw/zinc/23/36/71/792233671.db2.gz KVKZYJXCBOGAMG-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468839 792671446 /nfs/dbraw/zinc/67/14/46/792671446.db2.gz SRAUZBJPOGGXIQ-UHFFFAOYSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100669400 792779730 /nfs/dbraw/zinc/77/97/30/792779730.db2.gz WXCNPTZSJKZBRR-YMAMQOFZSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585473 793013037 /nfs/dbraw/zinc/01/30/37/793013037.db2.gz XLPDVXGUZCHCRJ-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363939 793134428 /nfs/dbraw/zinc/13/44/28/793134428.db2.gz GZQOJEAZBFIAHP-SCTDSRPQSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001101592084 793255845 /nfs/dbraw/zinc/25/58/45/793255845.db2.gz LOVNUANSUWSAKU-UHFFFAOYSA-N 2 0 318.465 2.301 20 30 DEEDRP CCCCCCC[C@H](CC)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001172352086 793411030 /nfs/dbraw/zinc/41/10/30/793411030.db2.gz YMJYSGDLNQDOQP-AWEZNQCLSA-N 2 0 303.451 2.263 20 30 DEEDRP 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 793566676 /nfs/dbraw/zinc/56/66/76/793566676.db2.gz KASOOUUUBPRHJM-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP CC[NH+](CC)C1CCC([NH+]2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC001173117066 793582207 /nfs/dbraw/zinc/58/22/07/793582207.db2.gz JKRRIBNFVUFYDC-UHFFFAOYSA-N 2 0 321.465 2.418 20 30 DEEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102428671 793611291 /nfs/dbraw/zinc/61/12/91/793611291.db2.gz NXWJQIPZOQEUSJ-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102522922 793638948 /nfs/dbraw/zinc/63/89/48/793638948.db2.gz JUBSYDIQPQCAOA-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083734 793934036 /nfs/dbraw/zinc/93/40/36/793934036.db2.gz HEKZYIGSMCNMCW-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192562 793978514 /nfs/dbraw/zinc/97/85/14/793978514.db2.gz ZKMMSQJGDCPRRL-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644777 794174975 /nfs/dbraw/zinc/17/49/75/794174975.db2.gz QGEHSELKGRTYRQ-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984648 794540587 /nfs/dbraw/zinc/54/05/87/794540587.db2.gz HPSUTQRKNHYTMO-WMZOPIPTSA-N 2 0 305.466 2.019 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081089 794673608 /nfs/dbraw/zinc/67/36/08/794673608.db2.gz KRGNCZKIQSREIX-VQFNDLOPSA-N 2 0 309.498 2.345 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115562641 794823205 /nfs/dbraw/zinc/82/32/05/794823205.db2.gz DIOMJFIIJPDHTI-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696509 794883330 /nfs/dbraw/zinc/88/33/30/794883330.db2.gz ZZJQKJICWRLFMY-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730908 794899936 /nfs/dbraw/zinc/89/99/36/794899936.db2.gz ULGNRRGXNRKSJF-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483537 794935209 /nfs/dbraw/zinc/93/52/09/794935209.db2.gz CLTFCSFNNGXJME-QZTJIDSGSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688049 794975351 /nfs/dbraw/zinc/97/53/51/794975351.db2.gz DZWRJQMKRDYIKQ-SFHVURJKSA-N 2 0 321.509 2.254 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178688737 794976037 /nfs/dbraw/zinc/97/60/37/794976037.db2.gz IFMLLYYXYXWSHP-ULQDDVLXSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179079107 795060337 /nfs/dbraw/zinc/06/03/37/795060337.db2.gz CLIDZFFCMNVVNY-YOEHRIQHSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001179749117 795171981 /nfs/dbraw/zinc/17/19/81/795171981.db2.gz YLLDGCKRYFEFCK-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001179842953 795186814 /nfs/dbraw/zinc/18/68/14/795186814.db2.gz IHAZELUGDKPGTM-QGZVFWFLSA-N 2 0 309.498 2.252 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179897751 795192714 /nfs/dbraw/zinc/19/27/14/795192714.db2.gz VVYPYXDSQBHEGK-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001120046159 795397335 /nfs/dbraw/zinc/39/73/35/795397335.db2.gz NIAIUSQMMYONIY-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190541 795419534 /nfs/dbraw/zinc/41/95/34/795419534.db2.gz UYNXDVSBMGLALM-CALCHBBNSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440633 795461401 /nfs/dbraw/zinc/46/14/01/795461401.db2.gz QBVBEGJRMOQQCW-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001121687557 795673481 /nfs/dbraw/zinc/67/34/81/795673481.db2.gz QXYCTPRFVDGQFZ-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121773106 795685937 /nfs/dbraw/zinc/68/59/37/795685937.db2.gz OBSAGWVXGZIZLJ-OIJFSCQUSA-N 2 0 319.493 2.167 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184565551 796083983 /nfs/dbraw/zinc/08/39/83/796083983.db2.gz JWEVRUDNGTYOGI-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585855 796088404 /nfs/dbraw/zinc/08/84/04/796088404.db2.gz XPLQRFVPTXKDRY-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185053582 796171078 /nfs/dbraw/zinc/17/10/78/796171078.db2.gz UIRYUYBECVWWNB-SJORKVTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185447299 796270240 /nfs/dbraw/zinc/27/02/40/796270240.db2.gz RGOMWCIGDLFZCS-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185609747 796293439 /nfs/dbraw/zinc/29/34/39/796293439.db2.gz NWGWGVXWQVFVSZ-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605537 796427006 /nfs/dbraw/zinc/42/70/06/796427006.db2.gz OYXKREGOIXLKBR-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186739399 796436417 /nfs/dbraw/zinc/43/64/17/796436417.db2.gz PXAKDPRCDCPESO-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161206706 796477181 /nfs/dbraw/zinc/47/71/81/796477181.db2.gz LAQSYERBJWXBKH-WMZOPIPTSA-N 2 0 319.493 2.289 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034973 796481834 /nfs/dbraw/zinc/48/18/34/796481834.db2.gz REENOCWKXQBWAH-QZTJIDSGSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188246358 796643969 /nfs/dbraw/zinc/64/39/69/796643969.db2.gz JRUAYQHKUHYUGI-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389233 796815826 /nfs/dbraw/zinc/81/58/26/796815826.db2.gz IWYUDRCEBVSOAA-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190655178 797050706 /nfs/dbraw/zinc/05/07/06/797050706.db2.gz OJZCMHKCHSNTFV-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C#Cc1ccccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001191107142 797136966 /nfs/dbraw/zinc/13/69/66/797136966.db2.gz CNYWXZSNZIEHHD-UHFFFAOYSA-N 2 0 315.461 2.014 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134228 797325726 /nfs/dbraw/zinc/32/57/26/797325726.db2.gz HVKMOFCJYCPVPB-DOTOQJQBSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193423561 797565054 /nfs/dbraw/zinc/56/50/54/797565054.db2.gz CNEWLYCBOCAQMV-SFHVURJKSA-N 2 0 321.509 2.445 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238013 797715791 /nfs/dbraw/zinc/71/57/91/797715791.db2.gz UPVHQUGPXVVUFY-RHSMWYFYSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC001196508062 798065029 /nfs/dbraw/zinc/06/50/29/798065029.db2.gz XHONXHJEAOWLBB-HNNXBMFYSA-N 2 0 304.438 2.081 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001157132190 798147906 /nfs/dbraw/zinc/14/79/06/798147906.db2.gz DTEIOOCGNOLLCH-SJLPKXTDSA-N 2 0 315.461 2.139 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197180377 798153341 /nfs/dbraw/zinc/15/33/41/798153341.db2.gz JNCDJORWBKGXHX-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949188 798493899 /nfs/dbraw/zinc/49/38/99/798493899.db2.gz GGIQSKDRGDPKHZ-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP N#Cc1cc(Nc2ccc3c(c2)C[NH2+]CCO3)cc(C2C[NH2+]C2)c1 ZINC001159791393 798608995 /nfs/dbraw/zinc/60/89/95/798608995.db2.gz OIPHWAXCFPGCJB-UHFFFAOYSA-N 2 0 320.396 2.471 20 30 DEEDRP C=CCNC(=S)N(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001200289858 798609393 /nfs/dbraw/zinc/60/93/93/798609393.db2.gz NTBDKTVVGWKBKI-UHFFFAOYSA-N 2 0 314.543 2.033 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201456191 798754885 /nfs/dbraw/zinc/75/48/85/798754885.db2.gz JYKNQAMCISGDAZ-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089027 798794513 /nfs/dbraw/zinc/79/45/13/798794513.db2.gz GILULYMZUZRPLH-MRXNPFEDSA-N 2 0 307.482 2.431 20 30 DEEDRP CCCCCCCCCCN(C)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161221499 798812138 /nfs/dbraw/zinc/81/21/38/798812138.db2.gz SCXKXNGLBRZREZ-MRXNPFEDSA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161755098 798930019 /nfs/dbraw/zinc/93/00/19/798930019.db2.gz LQXFSWOMNDBYLN-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924472 798968900 /nfs/dbraw/zinc/96/89/00/798968900.db2.gz DNEGJFWWAWABLN-IRXDYDNUSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161953398 798978486 /nfs/dbraw/zinc/97/84/86/798978486.db2.gz UNJYPYIRHGUMEC-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165464681 799734522 /nfs/dbraw/zinc/73/45/22/799734522.db2.gz JUUMVNKBUHKXPN-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926838 799796544 /nfs/dbraw/zinc/79/65/44/799796544.db2.gz GNNMHXPMFJPQOI-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165975700 799806380 /nfs/dbraw/zinc/80/63/80/799806380.db2.gz ADWIBLSQPDAZOT-UHFFFAOYSA-N 2 0 319.493 2.457 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391657 799865643 /nfs/dbraw/zinc/86/56/43/799865643.db2.gz XNNRZXUWQFMLHR-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166686997 799922234 /nfs/dbraw/zinc/92/22/34/799922234.db2.gz GMOAZWOQYPSZGC-QGZVFWFLSA-N 2 0 313.461 2.261 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166869823 799969172 /nfs/dbraw/zinc/96/91/72/799969172.db2.gz LXWVJLHVTZZVIX-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169350 800858361 /nfs/dbraw/zinc/85/83/61/800858361.db2.gz PEUWXLJDIJICPB-VQHPVUNQSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014129 800892143 /nfs/dbraw/zinc/89/21/43/800892143.db2.gz MNHRWSXDEURJPM-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014132 800892914 /nfs/dbraw/zinc/89/29/14/800892914.db2.gz MNHRWSXDEURJPM-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208123716 800916538 /nfs/dbraw/zinc/91/65/38/800916538.db2.gz RIEMOBVPTGOPQQ-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261184 800943881 /nfs/dbraw/zinc/94/38/81/800943881.db2.gz KGGSEQQYDMGSBZ-HZPDHXFCSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208361544 800966725 /nfs/dbraw/zinc/96/67/25/800966725.db2.gz FUADRNQGGLNJHN-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411624 800978762 /nfs/dbraw/zinc/97/87/62/800978762.db2.gz ZFAVOGYDVPOTHT-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208749080 801061666 /nfs/dbraw/zinc/06/16/66/801061666.db2.gz OXYUBUFMZGKSOE-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208757133 801064396 /nfs/dbraw/zinc/06/43/96/801064396.db2.gz BZUIDXDSZBXXEQ-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209588393 801227008 /nfs/dbraw/zinc/22/70/08/801227008.db2.gz HRVVKRKIXUBTCT-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C[NH+](C)CCC(=O)c1ccc(O[C@H](CC#N)C[N+](C)(C)C)cc1 ZINC001229302610 801252828 /nfs/dbraw/zinc/25/28/28/801252828.db2.gz KWCRJJMXSAAOGG-QGZVFWFLSA-N 2 0 318.441 2.188 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210236227 801355987 /nfs/dbraw/zinc/35/59/87/801355987.db2.gz KVJUEHULSQBHPG-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262833 801378814 /nfs/dbraw/zinc/37/88/14/801378814.db2.gz UXOPLHCONFBPPZ-MRXNPFEDSA-N 2 0 309.498 2.489 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230378174 801394809 /nfs/dbraw/zinc/39/48/09/801394809.db2.gz JRZCIHBUPTXCTI-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685130 801446574 /nfs/dbraw/zinc/44/65/74/801446574.db2.gz OGBFITMAZKPJBH-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094490 801511520 /nfs/dbraw/zinc/51/15/20/801511520.db2.gz BOAAMLLTOPSRLK-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211256543 801537541 /nfs/dbraw/zinc/53/75/41/801537541.db2.gz IJCGZGJMVPMKJA-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211256542 801537701 /nfs/dbraw/zinc/53/77/01/801537701.db2.gz IJCGZGJMVPMKJA-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335974 801704738 /nfs/dbraw/zinc/70/47/38/801704738.db2.gz PJEMYWJJUXWQCZ-BRWVUGGUSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214850228 801765777 /nfs/dbraw/zinc/76/57/77/801765777.db2.gz RFUQPRPGQSROOK-FGTMMUONSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001215036035 801793363 /nfs/dbraw/zinc/79/33/63/801793363.db2.gz MFYCHQBOMLQOBJ-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001215381333 801852159 /nfs/dbraw/zinc/85/21/59/801852159.db2.gz SRIZFWWWKUZQGV-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP CN(C)c1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(F)c1C#N ZINC001233102328 802028427 /nfs/dbraw/zinc/02/84/27/802028427.db2.gz VSDGMDBIVSDOFH-UHFFFAOYSA-N 2 0 316.424 2.291 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216964495 802040500 /nfs/dbraw/zinc/04/05/00/802040500.db2.gz BTODAMILZLLMLE-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968823 802630203 /nfs/dbraw/zinc/63/02/03/802630203.db2.gz BZEZZHRMERDRAU-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223524348 802798264 /nfs/dbraw/zinc/79/82/64/802798264.db2.gz CWPCFTDNMZCGRI-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001224577443 802884146 /nfs/dbraw/zinc/88/41/46/802884146.db2.gz ZWJBISQGNQKOSS-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225442102 802967150 /nfs/dbraw/zinc/96/71/50/802967150.db2.gz BJQPFEXPZWUYFK-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226890048 803172660 /nfs/dbraw/zinc/17/26/60/803172660.db2.gz GJLHEMGNUKRUJV-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227619060 803261302 /nfs/dbraw/zinc/26/13/02/803261302.db2.gz MFHQPHXUITXQQJ-MRXNPFEDSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228603663 803379886 /nfs/dbraw/zinc/37/98/86/803379886.db2.gz RFPBBLBSNMAOHR-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001331199912 1149396287 /nfs/dbraw/zinc/39/62/87/1149396287.db2.gz NPEWIUQDQVCZAP-QZTJIDSGSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CC[C@@]1(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CCC[NH2+]1 ZINC001344949294 1150853881 /nfs/dbraw/zinc/85/38/81/1150853881.db2.gz XPXHOIPIYPBGEX-VJFUWPCTSA-N 2 0 305.466 2.208 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001328766721 1148833255 /nfs/dbraw/zinc/83/32/55/1148833255.db2.gz TVMMBHGGAAEYRZ-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1cncn1C ZINC001328785005 1148834736 /nfs/dbraw/zinc/83/47/36/1148834736.db2.gz FTMAYQORFGGFMW-KRWDZBQOSA-N 2 0 318.465 2.242 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001501746372 1059680875 /nfs/dbraw/zinc/68/08/75/1059680875.db2.gz HCQXUGJWDKQJKI-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001479233288 1061307978 /nfs/dbraw/zinc/30/79/78/1061307978.db2.gz IQWRVWUOQOYOID-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479835597 1061867837 /nfs/dbraw/zinc/86/78/37/1061867837.db2.gz XWKCVJAOJMXHNZ-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CC[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001506377123 1061906766 /nfs/dbraw/zinc/90/67/66/1061906766.db2.gz AQDYVROZGOTZNF-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479965183 1062121671 /nfs/dbraw/zinc/12/16/71/1062121671.db2.gz NUFBJTGQAYVDOF-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001506625671 1062208363 /nfs/dbraw/zinc/20/83/63/1062208363.db2.gz FKXICPRVXDZCCI-GJZGRUSLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001506888239 1062473283 /nfs/dbraw/zinc/47/32/83/1062473283.db2.gz XGTSRXKSQXJZRI-XLAORIBOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001506901614 1062489187 /nfs/dbraw/zinc/48/91/87/1062489187.db2.gz FZCXKKKJTOPPFS-SZMVWBNQSA-N 2 0 315.461 2.350 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506928139 1062537647 /nfs/dbraw/zinc/53/76/47/1062537647.db2.gz LZAJKRZIJPEZOD-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001506962897 1062604407 /nfs/dbraw/zinc/60/44/07/1062604407.db2.gz GTLKIERFJODTMA-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480386479 1062773853 /nfs/dbraw/zinc/77/38/53/1062773853.db2.gz JHKZJTZMUKZOCW-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507283479 1063029927 /nfs/dbraw/zinc/02/99/27/1063029927.db2.gz BOGPJINMDOEITP-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001507355849 1063146962 /nfs/dbraw/zinc/14/69/62/1063146962.db2.gz NIAJVWSRAAYNFS-FUHWJXTLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001507355851 1063147696 /nfs/dbraw/zinc/14/76/96/1063147696.db2.gz NIAJVWSRAAYNFS-WMZOPIPTSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480697274 1063204344 /nfs/dbraw/zinc/20/43/44/1063204344.db2.gz LRBPOAPMAQGXRS-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[N@@H+](C)CCN(C(=O)CCC[NH+]1CCCCC1)C(C)C ZINC001507862577 1063446872 /nfs/dbraw/zinc/44/68/72/1063446872.db2.gz VORGKFFJPNWUHQ-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001493832697 1063981876 /nfs/dbraw/zinc/98/18/76/1063981876.db2.gz YRQUDHKYIQQHAB-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001494082461 1064117474 /nfs/dbraw/zinc/11/74/74/1064117474.db2.gz GXUGNTMIVXCBAV-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001494215216 1064177919 /nfs/dbraw/zinc/17/79/19/1064177919.db2.gz YNJFKHHOKNHKOI-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001567737673 1064391496 /nfs/dbraw/zinc/39/14/96/1064391496.db2.gz FQOVOFNJTALZMZ-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001568114668 1064654135 /nfs/dbraw/zinc/65/41/35/1064654135.db2.gz LQSOWOHULVKBGI-IYARVYRRSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568385490 1064827607 /nfs/dbraw/zinc/82/76/07/1064827607.db2.gz GQMFVVITNKNILP-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001568441070 1064875881 /nfs/dbraw/zinc/87/58/81/1064875881.db2.gz OITMBYBNDURTOP-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001495432542 1064902982 /nfs/dbraw/zinc/90/29/82/1064902982.db2.gz KOPYNKSHRPLNQV-OAHLLOKOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001495432539 1064903015 /nfs/dbraw/zinc/90/30/15/1064903015.db2.gz KOPYNKSHRPLNQV-HNNXBMFYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001495498633 1064948746 /nfs/dbraw/zinc/94/87/46/1064948746.db2.gz WDKMBNICXFHXMO-UHFFFAOYSA-N 2 0 313.445 2.064 20 30 DEEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568632715 1065009460 /nfs/dbraw/zinc/00/94/60/1065009460.db2.gz PDNAPUKTWPLMII-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001495984815 1065205677 /nfs/dbraw/zinc/20/56/77/1065205677.db2.gz CPLMKKMPNPAFSE-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001568969090 1065219770 /nfs/dbraw/zinc/21/97/70/1065219770.db2.gz HZUBQOCZDHBPDZ-SNAWJCMRSA-N 2 0 321.852 2.376 20 30 DEEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496297123 1065391703 /nfs/dbraw/zinc/39/17/03/1065391703.db2.gz SIBPNVVISXOYQZ-MSOLQXFVSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001569426509 1065502166 /nfs/dbraw/zinc/50/21/66/1065502166.db2.gz UWWBOTLOYLVJPZ-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001569466501 1065524660 /nfs/dbraw/zinc/52/46/60/1065524660.db2.gz BIJZKIFWPFXPQZ-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC(C)C)C(C)C)CC1 ZINC001496640084 1065612544 /nfs/dbraw/zinc/61/25/44/1065612544.db2.gz YAQYJBGDHHHVIA-SFHVURJKSA-N 2 0 321.509 2.108 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC001569613783 1065623550 /nfs/dbraw/zinc/62/35/50/1065623550.db2.gz XWDBXKMRTSGEPE-QGZVFWFLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001496914788 1065800901 /nfs/dbraw/zinc/80/09/01/1065800901.db2.gz ARYPTEYRTBFGGX-ROUUACIJSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001570003550 1065874711 /nfs/dbraw/zinc/87/47/11/1065874711.db2.gz ALSSKHLVWAHPCI-MRXNPFEDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001570048419 1065901932 /nfs/dbraw/zinc/90/19/32/1065901932.db2.gz ITBVZQRZYUAOTF-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001497236734 1065981027 /nfs/dbraw/zinc/98/10/27/1065981027.db2.gz ADBWTPYVTYJZAZ-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001570275362 1066001563 /nfs/dbraw/zinc/00/15/63/1066001563.db2.gz VENORMLFIHNQQM-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001570504247 1066098114 /nfs/dbraw/zinc/09/81/14/1066098114.db2.gz FDELSYVNMZKFCH-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497677860 1066232909 /nfs/dbraw/zinc/23/29/09/1066232909.db2.gz BTBVFXAKIIAIGP-LXXRFIIISA-N 2 0 311.445 2.037 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498497869 1066746592 /nfs/dbraw/zinc/74/65/92/1066746592.db2.gz RXSFTMZZGSEQPX-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001498781350 1066884708 /nfs/dbraw/zinc/88/47/08/1066884708.db2.gz BITZNKPZIYZXMH-KRWDZBQOSA-N 2 0 312.417 2.317 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001498872336 1066932863 /nfs/dbraw/zinc/93/28/63/1066932863.db2.gz GCDDTZGLVBVINE-QZTJIDSGSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001498904548 1066950086 /nfs/dbraw/zinc/95/00/86/1066950086.db2.gz VJVLJVZDXKCXID-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578446534 1067103876 /nfs/dbraw/zinc/10/38/76/1067103876.db2.gz ZKLUMJIKLXZPSG-IIDMSEBBSA-N 2 0 301.434 2.289 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001499273217 1067164206 /nfs/dbraw/zinc/16/42/06/1067164206.db2.gz YVSFZCTZYNKABP-UHFFFAOYSA-N 2 0 312.417 2.461 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001499511653 1067241706 /nfs/dbraw/zinc/24/17/06/1067241706.db2.gz JWEHKAKVNBHZJV-SQNIBIBYSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001499584438 1067267304 /nfs/dbraw/zinc/26/73/04/1067267304.db2.gz BBLYYAYSJWGRJG-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001649443224 1078504253 /nfs/dbraw/zinc/50/42/53/1078504253.db2.gz OGNARJDULGYBPP-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP N#Cc1ccc(NCCN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)nc1 ZINC001580070133 1067489183 /nfs/dbraw/zinc/48/91/83/1067489183.db2.gz PLAWMOUPOAIXLX-QZTJIDSGSA-N 2 0 321.428 2.100 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001483445500 1078537612 /nfs/dbraw/zinc/53/76/12/1078537612.db2.gz XVLIYBUKAMIEHO-SJORKVTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483466794 1078552078 /nfs/dbraw/zinc/55/20/78/1078552078.db2.gz PRDHCUQPYRZPDW-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001279585848 1078614606 /nfs/dbraw/zinc/61/46/06/1078614606.db2.gz DJFDENMWNCQRLS-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001570553565 1068000672 /nfs/dbraw/zinc/00/06/72/1068000672.db2.gz UHKJLUWNQUKVHW-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC ZINC001483618580 1078634309 /nfs/dbraw/zinc/63/43/09/1078634309.db2.gz OZHDSOOZPUNHIY-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CC ZINC001483618579 1078634491 /nfs/dbraw/zinc/63/44/91/1078634491.db2.gz OZHDSOOZPUNHIY-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001570716705 1068091365 /nfs/dbraw/zinc/09/13/65/1068091365.db2.gz YQCKXOBTJJRAQB-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001570716704 1068091424 /nfs/dbraw/zinc/09/14/24/1068091424.db2.gz YQCKXOBTJJRAQB-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001570841399 1068136717 /nfs/dbraw/zinc/13/67/17/1068136717.db2.gz LOHXUYDJXGKWBL-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001267201909 1078661836 /nfs/dbraw/zinc/66/18/36/1078661836.db2.gz UNGHZAXBZQTNDH-WMZOPIPTSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571360068 1068247203 /nfs/dbraw/zinc/24/72/03/1068247203.db2.gz LIPDIEPAJXVZBM-QZTJIDSGSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001571492763 1068349105 /nfs/dbraw/zinc/34/91/05/1068349105.db2.gz IMYDYVMJHCJYQE-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001571569133 1068424711 /nfs/dbraw/zinc/42/47/11/1068424711.db2.gz YACUPEQAOXZVSZ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001571645510 1068457184 /nfs/dbraw/zinc/45/71/84/1068457184.db2.gz ISLQNPRUPAUSHA-SJLPKXTDSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325099 1078765663 /nfs/dbraw/zinc/76/56/63/1078765663.db2.gz CEVFDIMRKWTHSJ-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001267324575 1078765814 /nfs/dbraw/zinc/76/58/14/1078765814.db2.gz MCBKRNWHXHODAV-KRWDZBQOSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267464960 1078876843 /nfs/dbraw/zinc/87/68/43/1078876843.db2.gz BBZLJOCYWHLPLE-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC001574835654 1069274429 /nfs/dbraw/zinc/27/44/29/1069274429.db2.gz DBFZRYCSTQHLRR-AWEZNQCLSA-N 2 0 301.434 2.477 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)CCC[NH2+]1 ZINC001574892339 1069288839 /nfs/dbraw/zinc/28/88/39/1069288839.db2.gz AAWDUOYBWYNLCK-GOSISDBHSA-N 2 0 305.466 2.162 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001267510502 1078940047 /nfs/dbraw/zinc/94/00/47/1078940047.db2.gz SCQUSQTTXVNADS-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001267524897 1078955010 /nfs/dbraw/zinc/95/50/10/1078955010.db2.gz GXLIVAAIZGTNIE-SFHVURJKSA-N 2 0 315.461 2.496 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001267604582 1079176010 /nfs/dbraw/zinc/17/60/10/1079176010.db2.gz WVMWIABUWYIQDP-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484055969 1079276084 /nfs/dbraw/zinc/27/60/84/1079276084.db2.gz YHBKIJQWUZWPSD-GOSISDBHSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001484113205 1079305725 /nfs/dbraw/zinc/30/57/25/1079305725.db2.gz DRMYHFYMSIGGMX-WMLDXEAASA-N 2 0 304.438 2.135 20 30 DEEDRP C=CCCC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001279241650 1079309985 /nfs/dbraw/zinc/30/99/85/1079309985.db2.gz HKNLBSRUHHFZFR-AQFXKWCLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267666063 1079355018 /nfs/dbraw/zinc/35/50/18/1079355018.db2.gz PCEOUSCFEXQYTC-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001566029175 1075218289 /nfs/dbraw/zinc/21/82/89/1075218289.db2.gz UGOFPKRHOKFCLK-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001566744950 1075333571 /nfs/dbraw/zinc/33/35/71/1075333571.db2.gz BXTBYEGFWXLKJW-KRWDZBQOSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567155916 1075447995 /nfs/dbraw/zinc/44/79/95/1075447995.db2.gz ZZWNRNRDPUIEQY-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267769176 1079474445 /nfs/dbraw/zinc/47/44/45/1079474445.db2.gz AUOIDIKXXGAINT-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001329460266 1148897381 /nfs/dbraw/zinc/89/73/81/1148897381.db2.gz PXMCDTBADKYQIE-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484322376 1079537977 /nfs/dbraw/zinc/53/79/77/1079537977.db2.gz DELHYDFSCSLSAD-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCCC)C2CC2)CC1 ZINC001267864573 1079551394 /nfs/dbraw/zinc/55/13/94/1079551394.db2.gz GSWVAJBPDGUPPU-LJQANCHMSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267959049 1079638832 /nfs/dbraw/zinc/63/88/32/1079638832.db2.gz LOFUCUUACSVRCQ-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484527750 1079641560 /nfs/dbraw/zinc/64/15/60/1079641560.db2.gz XXWJXGNDVRMNLS-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001484567902 1079665192 /nfs/dbraw/zinc/66/51/92/1079665192.db2.gz AAXYYZGHLCRNSK-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001484570523 1079668393 /nfs/dbraw/zinc/66/83/93/1079668393.db2.gz UMMIDCAGXCAPQO-QAQDUYKDSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001481335265 1079730156 /nfs/dbraw/zinc/73/01/56/1079730156.db2.gz SZDGSGXYNMLGIK-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001481340289 1079734604 /nfs/dbraw/zinc/73/46/04/1079734604.db2.gz PQYTZVVCLBUDQY-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001481350706 1079744730 /nfs/dbraw/zinc/74/47/30/1079744730.db2.gz POLHPHAJGNVRQB-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001484937548 1079868399 /nfs/dbraw/zinc/86/83/99/1079868399.db2.gz PFOMTHZYMJYORZ-IRXDYDNUSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496026 1079953328 /nfs/dbraw/zinc/95/33/28/1079953328.db2.gz QWWMCMDVSDZXBF-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001481516044 1079983269 /nfs/dbraw/zinc/98/32/69/1079983269.db2.gz KMEVETZRRSBTNJ-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001481519399 1079989613 /nfs/dbraw/zinc/98/96/13/1079989613.db2.gz DPGXOOKJBSWSLL-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001481521250 1079991511 /nfs/dbraw/zinc/99/15/11/1079991511.db2.gz WGOHWAUGJVSDLL-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268106514 1080077200 /nfs/dbraw/zinc/07/72/00/1080077200.db2.gz UTFBLYFOHFZLEF-IRXDYDNUSA-N 2 0 307.482 2.003 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268107252 1080077430 /nfs/dbraw/zinc/07/74/30/1080077430.db2.gz ZUZQXIUVRKJRDA-SJORKVTESA-N 2 0 307.482 2.025 20 30 DEEDRP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001656630694 1080109021 /nfs/dbraw/zinc/10/90/21/1080109021.db2.gz KKTTUKVIPQMRFL-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268150429 1080123362 /nfs/dbraw/zinc/12/33/62/1080123362.db2.gz IFVMOPDHDNELLQ-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001656839905 1080128518 /nfs/dbraw/zinc/12/85/18/1080128518.db2.gz NGDXPIFAWUTANM-KSZLIROESA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001656880469 1080132759 /nfs/dbraw/zinc/13/27/59/1080132759.db2.gz FJUDGOWANPSNSH-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001657036492 1080147896 /nfs/dbraw/zinc/14/78/96/1080147896.db2.gz XJDVSFVBXVMTIE-IKGGRYGDSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001657067487 1080152104 /nfs/dbraw/zinc/15/21/04/1080152104.db2.gz WYLDPMNPEMSLEO-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268181451 1080170934 /nfs/dbraw/zinc/17/09/34/1080170934.db2.gz XSQHEQUGONSINH-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001268216584 1080201957 /nfs/dbraw/zinc/20/19/57/1080201957.db2.gz KPELOWAEKKDABF-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001485481545 1080245924 /nfs/dbraw/zinc/24/59/24/1080245924.db2.gz CVNPMRXSQORADV-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001481690520 1080304128 /nfs/dbraw/zinc/30/41/28/1080304128.db2.gz JGBWLNAZPTXYCC-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001661231035 1080460970 /nfs/dbraw/zinc/46/09/70/1080460970.db2.gz CKRGUFLOLWQUST-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC(C)C)CCCC2)CC1 ZINC001481912459 1080601483 /nfs/dbraw/zinc/60/14/83/1080601483.db2.gz ALLIXAHDCHMLFN-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001481999844 1080680709 /nfs/dbraw/zinc/68/07/09/1080680709.db2.gz XNYXTKWNLLZMPV-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663067873 1080695409 /nfs/dbraw/zinc/69/54/09/1080695409.db2.gz ZCGHBYPNICVFJY-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001284131552 1080698718 /nfs/dbraw/zinc/69/87/18/1080698718.db2.gz QSHLQVVKLAJJSI-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001664583202 1080928973 /nfs/dbraw/zinc/92/89/73/1080928973.db2.gz IWWXSQMNSAPHOX-MSOLQXFVSA-N 2 0 315.461 2.043 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001664678020 1080941607 /nfs/dbraw/zinc/94/16/07/1080941607.db2.gz JYROHQDNNRCRCK-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001268734838 1080960082 /nfs/dbraw/zinc/96/00/82/1080960082.db2.gz BBMQLBPULKNJMY-OAHLLOKOSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001664806675 1080963230 /nfs/dbraw/zinc/96/32/30/1080963230.db2.gz IZNAQOWFWNMIAY-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C[C@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001666026355 1081112783 /nfs/dbraw/zinc/11/27/83/1081112783.db2.gz MJZWURDUYFILAV-IBGZPJMESA-N 2 0 315.461 2.422 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001666323463 1081143925 /nfs/dbraw/zinc/14/39/25/1081143925.db2.gz PXVJCHAATWLQKH-IYARVYRRSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001269558145 1081290880 /nfs/dbraw/zinc/29/08/80/1081290880.db2.gz WXDWYVVJLXDQKD-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269859058 1081384410 /nfs/dbraw/zinc/38/44/10/1081384410.db2.gz LBJMWTSBVUULGA-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001669208785 1081438728 /nfs/dbraw/zinc/43/87/28/1081438728.db2.gz VXCIHAGDATVQKW-RGDDUWESSA-N 2 0 313.873 2.121 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001270118455 1081454507 /nfs/dbraw/zinc/45/45/07/1081454507.db2.gz PHVQALJJFKTQHS-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001270403796 1081520007 /nfs/dbraw/zinc/52/00/07/1081520007.db2.gz MIHMATNYLYLWMO-ZWKOTPCHSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001671547794 1081523060 /nfs/dbraw/zinc/52/30/60/1081523060.db2.gz GJWIDCPFFPTWKH-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001671916450 1081550083 /nfs/dbraw/zinc/55/00/83/1081550083.db2.gz LXPDVZCTVVMBMJ-FUHWJXTLSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001673242196 1081749029 /nfs/dbraw/zinc/74/90/29/1081749029.db2.gz SMAZJUIWCSHEAD-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)C[C@@H](C)CC)CC1 ZINC001673491882 1081776735 /nfs/dbraw/zinc/77/67/35/1081776735.db2.gz SUEYFHRLQZRNKU-KRWDZBQOSA-N 2 0 321.509 2.158 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001673879679 1081807924 /nfs/dbraw/zinc/80/79/24/1081807924.db2.gz XMTQRXNJNQYRNF-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001111408267 1081820339 /nfs/dbraw/zinc/82/03/39/1081820339.db2.gz QESAGFJXFFMRLB-SVGFKBNWSA-N 2 0 316.449 2.268 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271007182 1081873350 /nfs/dbraw/zinc/87/33/50/1081873350.db2.gz KITAVQDALPGEED-AEFFLSMTSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001482463556 1081925904 /nfs/dbraw/zinc/92/59/04/1081925904.db2.gz ZBFLZVYVXSMZEP-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266472150 1082060203 /nfs/dbraw/zinc/06/02/03/1082060203.db2.gz DJMLZPFCLPSTKF-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001271499484 1082064727 /nfs/dbraw/zinc/06/47/27/1082064727.db2.gz MUFFOABJPJMQOH-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001271560825 1082081509 /nfs/dbraw/zinc/08/15/09/1082081509.db2.gz MNYIKOFPHJKBFA-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001271591821 1082088509 /nfs/dbraw/zinc/08/85/09/1082088509.db2.gz NELLOKJYXNRPAV-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271656141 1082102133 /nfs/dbraw/zinc/10/21/33/1082102133.db2.gz PXNSYBZXZMQQQH-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001271772607 1082150651 /nfs/dbraw/zinc/15/06/51/1082150651.db2.gz RXEPSKPBQSPYPT-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001496563966 1082221787 /nfs/dbraw/zinc/22/17/87/1082221787.db2.gz AFUQVSIEKRTOTQ-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001266770286 1082332658 /nfs/dbraw/zinc/33/26/58/1082332658.db2.gz SKGWBHYVOIXBFX-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001671138565 1083403358 /nfs/dbraw/zinc/40/33/58/1083403358.db2.gz ZZWYMFFNIAZDNQ-NVXWUHKLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451258 1083405924 /nfs/dbraw/zinc/40/59/24/1083405924.db2.gz SNMQSWFGQBJIES-JFIYKMOQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550017 1083474000 /nfs/dbraw/zinc/47/40/00/1083474000.db2.gz LDFGJRSUQJLVSY-VQIMIIECSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001276885043 1083664358 /nfs/dbraw/zinc/66/43/58/1083664358.db2.gz BNEAKMGSIZRJQP-APWZRJJASA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001491120503 1084086034 /nfs/dbraw/zinc/08/60/34/1084086034.db2.gz QGWLJQLTEPRXRW-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001491173802 1084129569 /nfs/dbraw/zinc/12/95/69/1084129569.db2.gz UJMZHRUHNVDCPP-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237191 1084175231 /nfs/dbraw/zinc/17/52/31/1084175231.db2.gz RIGCUBIPMUYMCB-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001491356738 1084253674 /nfs/dbraw/zinc/25/36/74/1084253674.db2.gz SSIVCGDJLWZLLF-JCYILVPMSA-N 2 0 307.482 2.454 20 30 DEEDRP CCn1ccnc1CN1CC[C@H]2C[N@@H+](CCCC#N)C[C@H]2CC1 ZINC001277943247 1084422008 /nfs/dbraw/zinc/42/20/08/1084422008.db2.gz PXXRXZOYNJTGEA-CALCHBBNSA-N 2 0 315.465 2.351 20 30 DEEDRP C=CCN1CC2(CCC1=O)CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001272887348 1084430085 /nfs/dbraw/zinc/43/00/85/1084430085.db2.gz CKNFAENSFBWAGH-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235511802 1084451636 /nfs/dbraw/zinc/45/16/36/1084451636.db2.gz HABIOQMGSMSZOJ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236024566 1084592177 /nfs/dbraw/zinc/59/21/77/1084592177.db2.gz RSQLZDVLOFNTPD-HPFXQQBRSA-N 2 0 308.466 2.287 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000964030678 1085153505 /nfs/dbraw/zinc/15/35/05/1085153505.db2.gz UWGSAMSRHKMUME-UOAXPGHYSA-N 2 0 317.477 2.206 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000964034596 1085155099 /nfs/dbraw/zinc/15/50/99/1085155099.db2.gz KSXOYAFVPKLRRI-LMBQMVEXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000960303953 1085188998 /nfs/dbraw/zinc/18/89/98/1085188998.db2.gz KJYNHQPNPSADDF-LSBZLQRGSA-N 2 0 313.445 2.029 20 30 DEEDRP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001486435956 1085310440 /nfs/dbraw/zinc/31/04/40/1085310440.db2.gz TWIXKDLLROTBQC-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001486518853 1085402185 /nfs/dbraw/zinc/40/21/85/1085402185.db2.gz AAJUDANPTALAOY-KRWDZBQOSA-N 2 0 307.482 2.287 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000965842644 1085655823 /nfs/dbraw/zinc/65/58/23/1085655823.db2.gz UNJJSFNEYZEOLS-NYXDSXFPSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000963338199 1086414860 /nfs/dbraw/zinc/41/48/60/1086414860.db2.gz SMFSQVPMGGMCMX-RDHHWEPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357657 1086423993 /nfs/dbraw/zinc/42/39/93/1086423993.db2.gz KQTMVGUQGVLEQN-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000963536829 1086489648 /nfs/dbraw/zinc/48/96/48/1086489648.db2.gz CSSREEOUMOWGJH-UHFFFAOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000963907147 1086594303 /nfs/dbraw/zinc/59/43/03/1086594303.db2.gz AWDWUZFEUKHDOC-KLAILNCOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001276325748 1089000829 /nfs/dbraw/zinc/00/08/29/1089000829.db2.gz BKBKWLRHPHFRCS-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114629292 1089485890 /nfs/dbraw/zinc/48/58/90/1089485890.db2.gz DKJJDOAFFOYYIP-VQFNDLOPSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001082698729 1090053552 /nfs/dbraw/zinc/05/35/52/1090053552.db2.gz YBRMCZDITHXANW-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001273426634 1091348380 /nfs/dbraw/zinc/34/83/80/1091348380.db2.gz CKDAAJSPQLYKOA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001274959563 1091493649 /nfs/dbraw/zinc/49/36/49/1091493649.db2.gz ZXNBRZROVZGEHX-FGTMMUONSA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001276070853 1091507552 /nfs/dbraw/zinc/50/75/52/1091507552.db2.gz OJNZTSBYRLMBJX-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557446 1091545978 /nfs/dbraw/zinc/54/59/78/1091545978.db2.gz GWRAUUUAHYIQHK-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C1(CC)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001273795551 1092054141 /nfs/dbraw/zinc/05/41/41/1092054141.db2.gz JTUBGXYTXYNDRD-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001273802410 1092063666 /nfs/dbraw/zinc/06/36/66/1092063666.db2.gz XWVJNQRXYBOGCJ-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001488960243 1092828901 /nfs/dbraw/zinc/82/89/01/1092828901.db2.gz GUFHTUGTQXEJRJ-YESZJQIVSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001489053725 1092912166 /nfs/dbraw/zinc/91/21/66/1092912166.db2.gz WNKZFVAGXVHARK-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)CN(C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001490282399 1093275423 /nfs/dbraw/zinc/27/54/23/1093275423.db2.gz VTGZYIDPURYQKS-OAHLLOKOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001490308247 1093299083 /nfs/dbraw/zinc/29/90/83/1093299083.db2.gz UMYIHMPAQYAJEC-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441542747 1093542927 /nfs/dbraw/zinc/54/29/27/1093542927.db2.gz UOVUGTJAPYMELH-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001274165573 1093831396 /nfs/dbraw/zinc/83/13/96/1093831396.db2.gz ZJSJYLGROKCNGR-OGZRUICASA-N 2 0 305.466 2.232 20 30 DEEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236797089 1138429957 /nfs/dbraw/zinc/42/99/57/1138429957.db2.gz CFOBDOBRAAINEY-HNNXBMFYSA-N 2 0 313.367 2.427 20 30 DEEDRP C=CCOc1ccc(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236922612 1138456942 /nfs/dbraw/zinc/45/69/42/1138456942.db2.gz HKIFVVRGDMWFMI-GOSISDBHSA-N 2 0 317.477 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001278250155 1138857940 /nfs/dbraw/zinc/85/79/40/1138857940.db2.gz IPOFDFXDYKCVAT-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCC1 ZINC001278289117 1138964430 /nfs/dbraw/zinc/96/44/30/1138964430.db2.gz OPZQOZQNFAGMFR-HKUYNNGSSA-N 2 0 319.493 2.313 20 30 DEEDRP Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)nc2c1C[NH2+]CC2 ZINC001240335800 1139339504 /nfs/dbraw/zinc/33/95/04/1139339504.db2.gz HVONMTLILVVRNZ-UHFFFAOYSA-N 2 0 304.397 2.261 20 30 DEEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)c1ccn2c(C)cnc2c1 ZINC001318524184 1140357898 /nfs/dbraw/zinc/35/78/98/1140357898.db2.gz IJENIBXEZNKGEE-HNNXBMFYSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001318996161 1140488053 /nfs/dbraw/zinc/48/80/53/1140488053.db2.gz OKJUQYFPCZBITC-KRWDZBQOSA-N 2 0 301.434 2.063 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001278432659 1140864815 /nfs/dbraw/zinc/86/48/15/1140864815.db2.gz GSJLJRIOXITBJO-PBHICJAKSA-N 2 0 304.438 2.135 20 30 DEEDRP Cc1cccc2c1C1(C[C@@H]2[NH2+][C@H]2CCN[C@H](C#N)C2)CC[NH2+]CC1 ZINC001246251465 1140877454 /nfs/dbraw/zinc/87/74/54/1140877454.db2.gz WZRHHVNUDWTDQB-BQFCYCMXSA-N 2 0 324.472 2.295 20 30 DEEDRP N#Cc1ccccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246361283 1140888039 /nfs/dbraw/zinc/88/80/39/1140888039.db2.gz KPRSLFRLQJBAOY-YOFSQIOKSA-N 2 0 324.472 2.395 20 30 DEEDRP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246360227 1140888184 /nfs/dbraw/zinc/88/81/84/1140888184.db2.gz GOIWLUTUEWYBER-DNVCBOLYSA-N 2 0 312.461 2.253 20 30 DEEDRP C=CCO[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001320899691 1140980024 /nfs/dbraw/zinc/98/00/24/1140980024.db2.gz VDQFGWBAGHPHFF-KSZLIROESA-N 2 0 308.466 2.319 20 30 DEEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)c1sccc1C[NH+](C)C ZINC001321085597 1141049068 /nfs/dbraw/zinc/04/90/68/1141049068.db2.gz YJZIJJWIHUFBBM-WAYWQWQTSA-N 2 0 307.463 2.261 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321107988 1141055133 /nfs/dbraw/zinc/05/51/33/1141055133.db2.gz DAECNQPPWZMMNE-OVNWPICBSA-N 2 0 311.857 2.018 20 30 DEEDRP N#C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246903891 1141113746 /nfs/dbraw/zinc/11/37/46/1141113746.db2.gz CGVFVNNZNJTLBZ-JEVOJNTISA-N 2 0 312.461 2.403 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001323460501 1141855599 /nfs/dbraw/zinc/85/55/99/1141855599.db2.gz XOSRQLFVLIFTGI-INIZCTEOSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001324332818 1142056901 /nfs/dbraw/zinc/05/69/01/1142056901.db2.gz CPOJDCSNPIEJDI-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001324332820 1142056978 /nfs/dbraw/zinc/05/69/78/1142056978.db2.gz CPOJDCSNPIEJDI-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC2CCC2)CC1 ZINC001324440018 1142077895 /nfs/dbraw/zinc/07/78/95/1142077895.db2.gz PSVPNSSIQXNVFT-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CCCC1 ZINC001324517704 1142093243 /nfs/dbraw/zinc/09/32/43/1142093243.db2.gz KYBDDEOVTIVQAD-SFHVURJKSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278571157 1142210620 /nfs/dbraw/zinc/21/06/20/1142210620.db2.gz KLACNSVPOWOFEU-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001278582958 1142240723 /nfs/dbraw/zinc/24/07/23/1142240723.db2.gz SMHYWYFZMGODPS-IBGZPJMESA-N 2 0 315.461 2.376 20 30 DEEDRP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552198 1142760155 /nfs/dbraw/zinc/76/01/55/1142760155.db2.gz HSHMSPKMIOHUJF-OTWHNJEPSA-N 2 0 300.446 2.296 20 30 DEEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001252621102 1142792977 /nfs/dbraw/zinc/79/29/77/1142792977.db2.gz WHGJXTXMHPPVMF-SFHVURJKSA-N 2 0 310.482 2.042 20 30 DEEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1OC ZINC001252625660 1142798665 /nfs/dbraw/zinc/79/86/65/1142798665.db2.gz XSKVYHLDKYJUCA-FHWLQOOXSA-N 2 0 318.461 2.193 20 30 DEEDRP C=C[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001253587581 1142882919 /nfs/dbraw/zinc/88/29/19/1142882919.db2.gz DLVRIWQQYDNKFJ-QYZOEREBSA-N 2 0 300.446 2.377 20 30 DEEDRP N#Cc1ccc(C(=[NH2+])NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001256849571 1143870381 /nfs/dbraw/zinc/87/03/81/1143870381.db2.gz GLXUTWJYNOECFI-UHFFFAOYSA-N 2 0 305.385 2.328 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001263957200 1144432136 /nfs/dbraw/zinc/43/21/36/1144432136.db2.gz ADXJPUUWHIBVLE-ZWKOTPCHSA-N 2 0 321.509 2.348 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001263957197 1144432141 /nfs/dbraw/zinc/43/21/41/1144432141.db2.gz ADXJPUUWHIBVLE-MSOLQXFVSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001264373059 1144518001 /nfs/dbraw/zinc/51/80/01/1144518001.db2.gz QWOXHEZFEADPQK-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264652078 1144585317 /nfs/dbraw/zinc/58/53/17/1144585317.db2.gz SECVCUVWZWBOIU-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001264739209 1144602665 /nfs/dbraw/zinc/60/26/65/1144602665.db2.gz SQHIXLNGSPZLSR-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@H+](CC)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001265148140 1144654696 /nfs/dbraw/zinc/65/46/96/1144654696.db2.gz WXQWTLKBSFUZNA-UHFFFAOYSA-N 2 0 315.461 2.213 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001265180550 1144661739 /nfs/dbraw/zinc/66/17/39/1144661739.db2.gz WAGHFOSRECBDSY-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265341144 1144696188 /nfs/dbraw/zinc/69/61/88/1144696188.db2.gz LHGHSMCCUHPGNV-KRWDZBQOSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001265374501 1144699500 /nfs/dbraw/zinc/69/95/00/1144699500.db2.gz NTCLXELOLPTGJU-SJORKVTESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001265560421 1144712263 /nfs/dbraw/zinc/71/22/63/1144712263.db2.gz QNZQRVRJJHPROB-BHYGNILZSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279589712 1144825339 /nfs/dbraw/zinc/82/53/39/1144825339.db2.gz YWRSWFMYEXJBKC-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001280334537 1144835878 /nfs/dbraw/zinc/83/58/78/1144835878.db2.gz ZGJDULUVYHYPCC-GOSISDBHSA-N 2 0 315.461 2.405 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001281840720 1144915912 /nfs/dbraw/zinc/91/59/12/1144915912.db2.gz RKFGYWHOCCZAPZ-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001281969960 1144925132 /nfs/dbraw/zinc/92/51/32/1144925132.db2.gz XTLJMCKHYWWGRS-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001282261851 1145026300 /nfs/dbraw/zinc/02/63/00/1145026300.db2.gz ZUWVYJQZXUKZQB-ABHNRTSZSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001282810510 1145168966 /nfs/dbraw/zinc/16/89/66/1145168966.db2.gz JQZFBCXYFAQSFG-CABCVRRESA-N 2 0 313.461 2.069 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001283702969 1145601901 /nfs/dbraw/zinc/60/19/01/1145601901.db2.gz PIMRHHSFLSJMEV-WMZOPIPTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001284098030 1145797245 /nfs/dbraw/zinc/79/72/45/1145797245.db2.gz WMTGSMNZJOMXIH-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001284292333 1145831477 /nfs/dbraw/zinc/83/14/77/1145831477.db2.gz REILPMJBUUDDII-HOTGVXAUSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001492024658 1147065403 /nfs/dbraw/zinc/06/54/03/1147065403.db2.gz ULHLSAPKEBHHGC-CQSZACIVSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316773872 1147596851 /nfs/dbraw/zinc/59/68/51/1147596851.db2.gz YKODSFOUUGLKNM-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001317006260 1147647502 /nfs/dbraw/zinc/64/75/02/1147647502.db2.gz JWHICMXMCOUSHR-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317007326 1147647521 /nfs/dbraw/zinc/64/75/21/1147647521.db2.gz OGKBBUHMBYGSRO-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317115231 1147661364 /nfs/dbraw/zinc/66/13/64/1147661364.db2.gz MXUBXXZKZPEQID-IXDOHACOSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317149504 1147666939 /nfs/dbraw/zinc/66/69/39/1147666939.db2.gz IYOUIPVOUKUZJU-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317502950 1147716505 /nfs/dbraw/zinc/71/65/05/1147716505.db2.gz VJXHBAIVCLRUFD-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317503998 1147717096 /nfs/dbraw/zinc/71/70/96/1147717096.db2.gz BIJAYLGQCXXELI-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317604883 1147731911 /nfs/dbraw/zinc/73/19/11/1147731911.db2.gz RQBOZYDMTLGKFX-UHFFFAOYSA-N 2 0 315.889 2.440 20 30 DEEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001317679081 1147742515 /nfs/dbraw/zinc/74/25/15/1147742515.db2.gz ZWDMRTDLRPQNPK-CQSZACIVSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317797452 1147753329 /nfs/dbraw/zinc/75/33/29/1147753329.db2.gz PAHWYHPYWUGSHD-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001318225263 1147801030 /nfs/dbraw/zinc/80/10/30/1147801030.db2.gz WFFBKWGYHCOSRV-IKGGRYGDSA-N 2 0 307.482 2.358 20 30 DEEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713328 529774262 /nfs/dbraw/zinc/77/42/62/529774262.db2.gz ISVBNYVSLXWVOP-RBUKOAKNSA-N 2 0 312.461 2.216 20 30 DEEDRP CNC(NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)=[NH+]C ZINC000264077276 529836731 /nfs/dbraw/zinc/83/67/31/529836731.db2.gz GFICCNBEFMJKSK-GJZGRUSLSA-N 2 0 302.466 2.459 20 30 DEEDRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000277033655 213252042 /nfs/dbraw/zinc/25/20/42/213252042.db2.gz BGRYZCHGGKBUAR-INIZCTEOSA-N 2 0 314.433 2.303 20 30 DEEDRP N#Cc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344404 354664649 /nfs/dbraw/zinc/66/46/49/354664649.db2.gz FGNDRLDOIJGRIS-UHFFFAOYSA-N 2 0 313.445 2.493 20 30 DEEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083029691 355461752 /nfs/dbraw/zinc/46/17/52/355461752.db2.gz MUQRBZQLRJVJPC-AWEZNQCLSA-N 2 0 304.438 2.002 20 30 DEEDRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083052956 355462160 /nfs/dbraw/zinc/46/21/60/355462160.db2.gz AMCGANFHKBDVBC-OAHLLOKOSA-N 2 0 304.438 2.146 20 30 DEEDRP CC1CC[NH+](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083031540 355462175 /nfs/dbraw/zinc/46/21/75/355462175.db2.gz HYVIBXNBALGHMS-INIZCTEOSA-N 2 0 316.449 2.146 20 30 DEEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4ccc(C#N)cc43)C2)CC1 ZINC000589341643 357465759 /nfs/dbraw/zinc/46/57/59/357465759.db2.gz CBXBJHRGDOCDAZ-PXNSSMCTSA-N 2 0 324.472 2.304 20 30 DEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000591573424 357736856 /nfs/dbraw/zinc/73/68/56/357736856.db2.gz VCOYEHUPRJQMNZ-USXIJHARSA-N 2 0 319.836 2.458 20 30 DEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000598723017 359305613 /nfs/dbraw/zinc/30/56/13/359305613.db2.gz CPVCARPCTCFELN-QGZVFWFLSA-N 2 0 316.449 2.188 20 30 DEEDRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(C#N)cc1 ZINC000602509688 360410105 /nfs/dbraw/zinc/41/01/05/360410105.db2.gz HRLWPHRWHVHBKB-AWEZNQCLSA-N 2 0 301.434 2.444 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000602533860 360421168 /nfs/dbraw/zinc/42/11/68/360421168.db2.gz PVTAFEMUKIUHQG-KRWDZBQOSA-N 2 0 315.465 2.123 20 30 DEEDRP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110011 360704293 /nfs/dbraw/zinc/70/42/93/360704293.db2.gz JEQBSGNLFKOKBB-INIZCTEOSA-N 2 0 320.481 2.135 20 30 DEEDRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1C#N ZINC000443995015 238135904 /nfs/dbraw/zinc/13/59/04/238135904.db2.gz MDCWTONGMLOGGT-UHFFFAOYSA-N 2 0 301.434 2.192 20 30 DEEDRP COc1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]2CCCC2)cc1 ZINC000104154173 533121136 /nfs/dbraw/zinc/12/11/36/533121136.db2.gz UIXRAHFOJINICQ-QGZVFWFLSA-N 2 0 318.465 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085360812 401914354 /nfs/dbraw/zinc/91/43/54/401914354.db2.gz IXGQBGAZDKCQMS-OAHLLOKOSA-N 2 0 324.513 2.302 20 30 DEEDRP [NH2+]=C(NCC[NH+]1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000170907808 402540611 /nfs/dbraw/zinc/54/06/11/402540611.db2.gz JIWMLAUTMIHUJD-UHFFFAOYSA-N 2 0 316.327 2.408 20 30 DEEDRP N#CCSCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173952019 402721390 /nfs/dbraw/zinc/72/13/90/402721390.db2.gz URPHZSKLLPZWPC-UHFFFAOYSA-N 2 0 311.495 2.210 20 30 DEEDRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268693320 403106932 /nfs/dbraw/zinc/10/69/32/403106932.db2.gz PNXRYSQIJIDZTM-GOSISDBHSA-N 2 0 301.434 2.255 20 30 DEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269420871 403138292 /nfs/dbraw/zinc/13/82/92/403138292.db2.gz LXSWUJICYMWDLR-HNNXBMFYSA-N 2 0 318.440 2.061 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000294255826 403684875 /nfs/dbraw/zinc/68/48/75/403684875.db2.gz ZNNACLBCAJSSDM-ZACQAIPSSA-N 2 0 307.482 2.176 20 30 DEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000348300747 404058752 /nfs/dbraw/zinc/05/87/52/404058752.db2.gz CKAOIURXYSTLGF-IRXDYDNUSA-N 2 0 322.497 2.239 20 30 DEEDRP C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370004569 404301309 /nfs/dbraw/zinc/30/13/09/404301309.db2.gz FJPCAXUHIXQERV-WBVHZDCISA-N 2 0 322.497 2.151 20 30 DEEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000364355436 404365039 /nfs/dbraw/zinc/36/50/39/404365039.db2.gz RYZXWYAMEDAACL-KRWDZBQOSA-N 2 0 306.498 2.418 20 30 DEEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414305896 404570684 /nfs/dbraw/zinc/57/06/84/404570684.db2.gz NUVCVERDCLLQBM-MSOLQXFVSA-N 2 0 313.445 2.295 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353392385 404821517 /nfs/dbraw/zinc/82/15/17/404821517.db2.gz YQWZLQNNEJHPKJ-KXBFYZLASA-N 2 0 312.461 2.161 20 30 DEEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424136610 405018444 /nfs/dbraw/zinc/01/84/44/405018444.db2.gz RADGFBOVDDMNML-KRWDZBQOSA-N 2 0 316.449 2.164 20 30 DEEDRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1C#N ZINC000487886189 406269331 /nfs/dbraw/zinc/26/93/31/406269331.db2.gz WAPMWSMPEQHLFV-UHFFFAOYSA-N 2 0 301.434 2.409 20 30 DEEDRP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000491523827 406611040 /nfs/dbraw/zinc/61/10/40/406611040.db2.gz HNQYFCLTPQPZKP-HOTGVXAUSA-N 2 0 302.397 2.098 20 30 DEEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000264116543 225306876 /nfs/dbraw/zinc/30/68/76/225306876.db2.gz SWMULBYTTMZTMU-WBVHZDCISA-N 2 0 318.465 2.071 20 30 DEEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOCCC#N)CC2)C[C@H](C)O1 ZINC000339012879 226176898 /nfs/dbraw/zinc/17/68/98/226176898.db2.gz IVYLAZQPGIPWDQ-CALCHBBNSA-N 2 0 323.481 2.128 20 30 DEEDRP C=CC[C@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000651746386 425145591 /nfs/dbraw/zinc/14/55/91/425145591.db2.gz PELHMKQPQMDRSH-BBWFWOEESA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000661119992 425328109 /nfs/dbraw/zinc/32/81/09/425328109.db2.gz YMUQGNOJDDQMSJ-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CC1 ZINC000665287160 425536491 /nfs/dbraw/zinc/53/64/91/425536491.db2.gz DAESKDMNQSQMOX-QGZVFWFLSA-N 2 0 307.482 2.311 20 30 DEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181691660 267610088 /nfs/dbraw/zinc/61/00/88/267610088.db2.gz HKRKXCALVBIAHY-DLBZAZTESA-N 2 0 314.477 2.482 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000662707893 425718962 /nfs/dbraw/zinc/71/89/62/425718962.db2.gz OHCKMQJBBOOEOT-GOSISDBHSA-N 2 0 305.466 2.162 20 30 DEEDRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000423040665 274208284 /nfs/dbraw/zinc/20/82/84/274208284.db2.gz HTQJDTYVHQUKGQ-YOEHRIQHSA-N 2 0 314.433 2.161 20 30 DEEDRP C#Cc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000289286581 275387870 /nfs/dbraw/zinc/38/78/70/275387870.db2.gz PEIXHDJTVWRHCL-UHFFFAOYSA-N 2 0 311.473 2.316 20 30 DEEDRP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1C#N ZINC000443982230 301278012 /nfs/dbraw/zinc/27/80/12/301278012.db2.gz ARGCLKCUEIANJK-UHFFFAOYSA-N 2 0 314.477 2.372 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC001088955331 782077088 /nfs/dbraw/zinc/07/70/88/782077088.db2.gz HEGLUJLMYHHOJE-QAPCUYQASA-N 2 0 322.412 2.088 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC(CC)([NH+]3CCC3)CC2)CCC[NH2+]1 ZINC001349906361 1151306376 /nfs/dbraw/zinc/30/63/76/1151306376.db2.gz DDVDSHCKRAEHSU-GOSISDBHSA-N 2 0 305.466 2.162 20 30 DEEDRP N#CCC[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000562986927 333013336 /nfs/dbraw/zinc/01/33/36/333013336.db2.gz CYGSGJYZJAKJCP-UHFFFAOYSA-N 2 0 300.450 2.088 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001369444872 1148991529 /nfs/dbraw/zinc/99/15/29/1148991529.db2.gz MWKFKWLGBFWPKZ-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000173161040 340359282 /nfs/dbraw/zinc/35/92/82/340359282.db2.gz CUOYNJQWBUNKGK-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955196 1149023588 /nfs/dbraw/zinc/02/35/88/1149023588.db2.gz ZPVIRMGAWGIRPT-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001369540208 1149029559 /nfs/dbraw/zinc/02/95/59/1149029559.db2.gz BKMJJYNIMJCJFT-OLZOCXBDSA-N 2 0 303.878 2.200 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000170910370 534076149 /nfs/dbraw/zinc/07/61/49/534076149.db2.gz NEQFLXIERKHAII-INIZCTEOSA-N 2 0 318.465 2.220 20 30 DEEDRP N#CCCOCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200906 534651046 /nfs/dbraw/zinc/65/10/46/534651046.db2.gz KSCPEYMBCJZCOX-RTBURBONSA-N 2 0 313.445 2.371 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001378930300 1152494516 /nfs/dbraw/zinc/49/45/16/1152494516.db2.gz WJOGQRZEQUFGJD-UKRRQHHQSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001327491519 1148567535 /nfs/dbraw/zinc/56/75/35/1148567535.db2.gz CUYKJXIRAOIRHI-IYBDPMFKSA-N 2 0 307.482 2.406 20 30 DEEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCC[C@@H](C)C1 ZINC000262785771 526349098 /nfs/dbraw/zinc/34/90/98/526349098.db2.gz MJXFJIUZUKJNKP-OAHLLOKOSA-N 2 0 324.513 2.183 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417536782 526591903 /nfs/dbraw/zinc/59/19/03/526591903.db2.gz LGOXVFQORBWVOM-KRWDZBQOSA-N 2 0 322.497 2.234 20 30 DEEDRP C=CCOCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000339013686 526770478 /nfs/dbraw/zinc/77/04/78/526770478.db2.gz ORMLETOCINRABK-CALCHBBNSA-N 2 0 310.482 2.400 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)C(C)C ZINC000370846160 527647159 /nfs/dbraw/zinc/64/71/59/527647159.db2.gz KMRIDLZAQMJDGR-WMZOPIPTSA-N 2 0 307.482 2.191 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264111772 527721936 /nfs/dbraw/zinc/72/19/36/527721936.db2.gz RBSUFXYVEUIQKX-UHFFFAOYSA-N 2 0 306.454 2.077 20 30 DEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262570075 528249033 /nfs/dbraw/zinc/24/90/33/528249033.db2.gz YWGADFHHKXBXFE-HOCLYGCPSA-N 2 0 316.449 2.146 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccs1 ZINC000267376882 529070576 /nfs/dbraw/zinc/07/05/76/529070576.db2.gz ADDNGRQMKQSWQS-CYBMUJFWSA-N 2 0 308.495 2.414 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000267475285 529073130 /nfs/dbraw/zinc/07/31/30/529073130.db2.gz ZECDRWOPJDLHPS-GVDBMIGSSA-N 2 0 300.450 2.006 20 30 DEEDRP CC[NH+]1CCN(CCNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264101826 529140306 /nfs/dbraw/zinc/14/03/06/529140306.db2.gz OJZMYVBMNCRGOV-UHFFFAOYSA-N 2 0 317.481 2.174 20 30 DEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443980899 529147393 /nfs/dbraw/zinc/14/73/93/529147393.db2.gz NVNCYDRCADLGIU-INIZCTEOSA-N 2 0 314.477 2.230 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001330467970 1149149083 /nfs/dbraw/zinc/14/90/83/1149149083.db2.gz OBWBAKXVAQARRF-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001327879232 1148666202 /nfs/dbraw/zinc/66/62/02/1148666202.db2.gz FCLQTNPNWJKMTF-GUYCJALGSA-N 2 0 312.417 2.269 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001327940989 1148682396 /nfs/dbraw/zinc/68/23/96/1148682396.db2.gz OWDRMWBMUFPFKR-IRXDYDNUSA-N 2 0 321.509 2.489 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001026327770 625306498 /nfs/dbraw/zinc/30/64/98/625306498.db2.gz BIVXBKGTAIVDJO-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025290077 625326601 /nfs/dbraw/zinc/32/66/01/625326601.db2.gz XPXXVBUZPYDOCT-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696940 625392810 /nfs/dbraw/zinc/39/28/10/625392810.db2.gz YZJDZMUUZUVCHC-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704502 625482745 /nfs/dbraw/zinc/48/27/45/625482745.db2.gz QTNVHDJAKMKTJK-MJGOQNOKSA-N 2 0 315.461 2.182 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001020502106 622746126 /nfs/dbraw/zinc/74/61/26/622746126.db2.gz CILBHKVFFZYGAG-ZOBUZTSGSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680517 622879787 /nfs/dbraw/zinc/87/97/87/622879787.db2.gz NDUSVTAZZBDLMN-JKSUJKDBSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969769505 622913933 /nfs/dbraw/zinc/91/39/33/622913933.db2.gz PDXWAJWMSRJOKB-GFCCVEGCSA-N 2 0 307.463 2.046 20 30 DEEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970717636 623640271 /nfs/dbraw/zinc/64/02/71/623640271.db2.gz FNWSVJZCIFJBIS-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365187 625239502 /nfs/dbraw/zinc/23/95/02/625239502.db2.gz YZQNNRBEYHUMRO-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023452055 625277474 /nfs/dbraw/zinc/27/74/74/625277474.db2.gz VTVPCWJZPQWYBY-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518370 634507536 /nfs/dbraw/zinc/50/75/36/634507536.db2.gz RPVOQANVJUGUIN-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC000995984729 633153805 /nfs/dbraw/zinc/15/38/05/633153805.db2.gz KOBSINZMIAOZQF-MRXNPFEDSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC1(C)C ZINC000996197960 633211617 /nfs/dbraw/zinc/21/16/17/633211617.db2.gz MJFFCUUCIZIVGN-HNNXBMFYSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865809 633340340 /nfs/dbraw/zinc/34/03/40/633340340.db2.gz VQJBYTOXFKBOQM-IAGOWNOFSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865811 633340596 /nfs/dbraw/zinc/34/05/96/633340596.db2.gz VQJBYTOXFKBOQM-IRXDYDNUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996669529 633343768 /nfs/dbraw/zinc/34/37/68/633343768.db2.gz GVZZLMQXDYRTBR-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000996669636 633344094 /nfs/dbraw/zinc/34/40/94/633344094.db2.gz QYPCYCWCGAFTGR-QGZVFWFLSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996692793 633350810 /nfs/dbraw/zinc/35/08/10/633350810.db2.gz YFCUWHDPQPJWLM-HNNXBMFYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027442132 633795267 /nfs/dbraw/zinc/79/52/67/633795267.db2.gz BCWWTRZOXWJJKU-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998188298 634163364 /nfs/dbraw/zinc/16/33/64/634163364.db2.gz JDXRLRFROQKIPQ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577061 634181257 /nfs/dbraw/zinc/18/12/57/634181257.db2.gz CLYHSVHPZLJNFV-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925247 634980037 /nfs/dbraw/zinc/98/00/37/634980037.db2.gz QIWMGVOPAWWSSO-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980471748 635013381 /nfs/dbraw/zinc/01/33/81/635013381.db2.gz PDSPWTKKLUKBFD-KRWDZBQOSA-N 2 0 301.434 2.081 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000333783 635145604 /nfs/dbraw/zinc/14/56/04/635145604.db2.gz SGBJCVZBPYCXMF-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001000756432 635297344 /nfs/dbraw/zinc/29/73/44/635297344.db2.gz GWOWLGGLRZVCFN-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000945649 635344767 /nfs/dbraw/zinc/34/47/67/635344767.db2.gz JJHQLBGKIIKODD-UHFFFAOYSA-N 2 0 310.401 2.272 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001079990 635401401 /nfs/dbraw/zinc/40/14/01/635401401.db2.gz JKNYRFWKEZGHIU-GOSISDBHSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981332210 635438212 /nfs/dbraw/zinc/43/82/12/635438212.db2.gz TWIKVLWZSPTOCR-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001001473365 635504270 /nfs/dbraw/zinc/50/42/70/635504270.db2.gz JGZVQOGFFJZZKV-GOSISDBHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001521953 635521316 /nfs/dbraw/zinc/52/13/16/635521316.db2.gz LAMLUOQZKGQUJY-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001001586605 635529560 /nfs/dbraw/zinc/52/95/60/635529560.db2.gz SWANHOMBXSOXMP-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848343 635691586 /nfs/dbraw/zinc/69/15/86/635691586.db2.gz KXBXYGKPURKZGD-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003775970 636051086 /nfs/dbraw/zinc/05/10/86/636051086.db2.gz DCGZYHBFKRQVCG-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C#Cc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922388208 636142046 /nfs/dbraw/zinc/14/20/46/636142046.db2.gz CXYTWJVRPCHFLA-YSTOQKLRSA-N 2 0 312.457 2.237 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004203150 636222617 /nfs/dbraw/zinc/22/26/17/636222617.db2.gz HWXDHVOWZHAECQ-IYBDPMFKSA-N 2 0 307.482 2.406 20 30 DEEDRP 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 636342044 /nfs/dbraw/zinc/34/20/44/636342044.db2.gz QTQBMEZLPZCYSQ-ZJPYXAASSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004521863 636474947 /nfs/dbraw/zinc/47/49/47/636474947.db2.gz GXQVVKIMCXVIMO-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623952 636476273 /nfs/dbraw/zinc/47/62/73/636476273.db2.gz WATUGSSNJDFVJQ-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547139 636484919 /nfs/dbraw/zinc/48/49/19/636484919.db2.gz LSZMOAVABCFNAI-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779081 636646470 /nfs/dbraw/zinc/64/64/70/636646470.db2.gz FTFKCGPOFXAPPK-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001005814883 636855048 /nfs/dbraw/zinc/85/50/48/636855048.db2.gz KRNJLCQNMRQWHQ-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC001005891807 636940141 /nfs/dbraw/zinc/94/01/41/636940141.db2.gz GYUTTZHXPZFDJT-UHFFFAOYSA-N 2 0 319.449 2.454 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000983491920 636965903 /nfs/dbraw/zinc/96/59/03/636965903.db2.gz FWIZIKUOOKHLAO-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005935341 636990542 /nfs/dbraw/zinc/99/05/42/636990542.db2.gz SURLZJYUSGEQTG-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923388915 637155878 /nfs/dbraw/zinc/15/58/78/637155878.db2.gz PNWTZSGSPJDNKR-MOPGFXCFSA-N 2 0 313.445 2.303 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001006083293 637180213 /nfs/dbraw/zinc/18/02/13/637180213.db2.gz CIJPCBKOFCXOPX-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000985429272 639395535 /nfs/dbraw/zinc/39/55/35/639395535.db2.gz NZEBDBFJVMOSSI-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000985608567 639543918 /nfs/dbraw/zinc/54/39/18/639543918.db2.gz VLCFRZVWSZBPPB-UHFFFAOYSA-N 2 0 319.449 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC000987566534 640224367 /nfs/dbraw/zinc/22/43/67/640224367.db2.gz BTCPMTIYSIIPNQ-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000764510707 640648854 /nfs/dbraw/zinc/64/88/54/640648854.db2.gz XNYXAQCGAPVMKI-UHFFFAOYSA-N 2 0 315.461 2.227 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000764579086 640657606 /nfs/dbraw/zinc/65/76/06/640657606.db2.gz ULODRSGAVLGLDE-GOSISDBHSA-N 2 0 315.461 2.085 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000900719497 642451692 /nfs/dbraw/zinc/45/16/92/642451692.db2.gz BKRZJCATRMBANL-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP C[C@H]1CNC(NN=CC(C)(C)C[N@H+](C)Cc2ccccc2)=[NH+]1 ZINC000779791180 642538322 /nfs/dbraw/zinc/53/83/22/642538322.db2.gz GOXQTZNUQRUDBV-AWEZNQCLSA-N 2 0 301.438 2.068 20 30 DEEDRP C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(C#N)ccn1 ZINC000902801609 643142531 /nfs/dbraw/zinc/14/25/31/643142531.db2.gz CBASVDJVHMENMR-YOEHRIQHSA-N 2 0 314.433 2.247 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000791128259 643932763 /nfs/dbraw/zinc/93/27/63/643932763.db2.gz CEJMQIYFBZYKHP-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913100099 646268560 /nfs/dbraw/zinc/26/85/60/646268560.db2.gz PMWUPVBDOGKSSI-YJBOKZPZSA-N 2 0 315.461 2.131 20 30 DEEDRP C[NH+]1CCN(c2ccc(C=[NH+]NC[C@H]3CCSC3)cc2)CC1 ZINC000811658673 646556109 /nfs/dbraw/zinc/55/61/09/646556109.db2.gz MXYAGPBAVULNAH-MRXNPFEDSA-N 2 0 318.490 2.115 20 30 DEEDRP 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 646860749 /nfs/dbraw/zinc/86/07/49/646860749.db2.gz DCHIGRZLRVUEBO-LSTDLKDCSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992189919 646894823 /nfs/dbraw/zinc/89/48/23/646894823.db2.gz OASKIXOGXLOGQU-XYJFISCASA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992282904 646927627 /nfs/dbraw/zinc/92/76/27/646927627.db2.gz JLQSFMRMBNFKOC-FUHWJXTLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992435943 647001266 /nfs/dbraw/zinc/00/12/66/647001266.db2.gz VQXUYPLWZHCRBC-XYJFISCASA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC000992779695 647243442 /nfs/dbraw/zinc/24/34/42/647243442.db2.gz RKJXSHVIQAAFGV-IXDOHACOSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993528264 647690385 /nfs/dbraw/zinc/69/03/85/647690385.db2.gz KBKBXNMBSCBZGS-YJBOKZPZSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928468 647762986 /nfs/dbraw/zinc/76/29/86/647762986.db2.gz NNEZIMISYIAUHL-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000939806042 648728008 /nfs/dbraw/zinc/72/80/08/648728008.db2.gz DGJMMDZYZWECON-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215920 649021297 /nfs/dbraw/zinc/02/12/97/649021297.db2.gz BKHDNDJTZWFYAI-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256097 649191636 /nfs/dbraw/zinc/19/16/36/649191636.db2.gz CVTBQBBVEPOSEU-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439282 649215475 /nfs/dbraw/zinc/21/54/75/649215475.db2.gz LWPYDWNCJMXAKU-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP COc1cccc(/C=N/[C@@H](C)CN(C)CCC[NH+](C)C)c1O ZINC000849169263 651615284 /nfs/dbraw/zinc/61/52/84/651615284.db2.gz AHCDGLGTMVXRLE-QCUKBLKESA-N 2 0 307.438 2.092 20 30 DEEDRP CCCNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304761280 685259675 /nfs/dbraw/zinc/25/96/75/685259675.db2.gz UEUKVLOSWCCJIQ-OAHLLOKOSA-N 2 0 318.465 2.201 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCCCC1 ZINC000304753602 685260010 /nfs/dbraw/zinc/26/00/10/685260010.db2.gz LEPNFXVGUFZIID-KRWDZBQOSA-N 2 0 300.450 2.452 20 30 DEEDRP CC(C)NC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304763839 685260610 /nfs/dbraw/zinc/26/06/10/685260610.db2.gz XGFXSESJONGRCR-OAHLLOKOSA-N 2 0 318.465 2.199 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000304762419 685261014 /nfs/dbraw/zinc/26/10/14/685261014.db2.gz VRNBLHUMJRKYBT-LLVKDONJSA-N 2 0 310.829 2.417 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001054099462 693843265 /nfs/dbraw/zinc/84/32/65/693843265.db2.gz IWAKHCQZUIJUCE-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054146418 693861743 /nfs/dbraw/zinc/86/17/43/693861743.db2.gz DAGYPKXPXRVVDJ-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054198528 693880088 /nfs/dbraw/zinc/88/00/88/693880088.db2.gz ZEDIIAHDFVRSTN-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001054969209 694084291 /nfs/dbraw/zinc/08/42/91/694084291.db2.gz PBASFCJARDESST-GXTWGEPZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016654257 687675575 /nfs/dbraw/zinc/67/55/75/687675575.db2.gz FHHSEYDLCFXSOH-SJORKVTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016931963 687736836 /nfs/dbraw/zinc/73/68/36/687736836.db2.gz ZFHLVXGCKUGULX-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550290 687911058 /nfs/dbraw/zinc/91/10/58/687911058.db2.gz WWIKHUDPNRARGQ-TVFCKZIOSA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632156 688383665 /nfs/dbraw/zinc/38/36/65/688383665.db2.gz BTRACVFSMXKWDG-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001032802672 689264658 /nfs/dbraw/zinc/26/46/58/689264658.db2.gz JENGQGVQLMUQRH-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213520 689427542 /nfs/dbraw/zinc/42/75/42/689427542.db2.gz KLSLPDXKLCIWGF-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033684682 689583698 /nfs/dbraw/zinc/58/36/98/689583698.db2.gz HGAJTNDFMHOIDA-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033926542 689663233 /nfs/dbraw/zinc/66/32/33/689663233.db2.gz FBUNTECWOOHXKV-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251012 689782819 /nfs/dbraw/zinc/78/28/19/689782819.db2.gz USHLZYIWFWBMDC-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000876707464 689910909 /nfs/dbraw/zinc/91/09/09/689910909.db2.gz HFEIVJHYZRVHIM-INIZCTEOSA-N 2 0 321.852 2.237 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000876717708 689913685 /nfs/dbraw/zinc/91/36/85/689913685.db2.gz FTWFMCKHHCHGAN-CQSZACIVSA-N 2 0 311.813 2.035 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000876723543 689916306 /nfs/dbraw/zinc/91/63/06/689916306.db2.gz DPRRECGCRQVRFN-HOTGVXAUSA-N 2 0 321.852 2.410 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000876725786 689917187 /nfs/dbraw/zinc/91/71/87/689917187.db2.gz XJGVLARLUFJEKN-CQSZACIVSA-N 2 0 301.862 2.085 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001034660510 689921187 /nfs/dbraw/zinc/92/11/87/689921187.db2.gz BYHBJJUWNSXKAY-BRWVUGGUSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000876877080 689961340 /nfs/dbraw/zinc/96/13/40/689961340.db2.gz NCBCHXWXJCCBPF-XGUBFFRZSA-N 2 0 313.873 2.320 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035195920 690056117 /nfs/dbraw/zinc/05/61/17/690056117.db2.gz AGJLBVAQROYFPN-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035795681 690178309 /nfs/dbraw/zinc/17/83/09/690178309.db2.gz XOKGKEYTBDJVOX-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001036094524 690258782 /nfs/dbraw/zinc/25/87/82/690258782.db2.gz QCHXIUKHMRZWMV-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001036220160 690294420 /nfs/dbraw/zinc/29/44/20/690294420.db2.gz VFCFZSYKNAXHSC-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762301 690463256 /nfs/dbraw/zinc/46/32/56/690463256.db2.gz IDPRIXVVOLNQSK-RDJZCZTQSA-N 2 0 310.401 2.057 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793983 690476467 /nfs/dbraw/zinc/47/64/67/690476467.db2.gz NREZCJUGBRZRJC-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[C@H]1CCC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878762013 690493799 /nfs/dbraw/zinc/49/37/99/690493799.db2.gz VRNFNWZVKZBONS-ICSRJNTNSA-N 2 0 312.457 2.359 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903585 690522422 /nfs/dbraw/zinc/52/24/22/690522422.db2.gz CPZDMYSMQJROMA-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CC ZINC001037855210 690624092 /nfs/dbraw/zinc/62/40/92/690624092.db2.gz OJKAXGKYCNRSTM-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001037906804 690638145 /nfs/dbraw/zinc/63/81/45/690638145.db2.gz UJRQWBOPUDFQAW-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC001037951569 690647651 /nfs/dbraw/zinc/64/76/51/690647651.db2.gz SFLPOCQDWJSDSZ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039239653 691064755 /nfs/dbraw/zinc/06/47/55/691064755.db2.gz UGUJNJGEXCJVCL-WBVHZDCISA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039390074 691095658 /nfs/dbraw/zinc/09/56/58/691095658.db2.gz UCOYFSBLTJVANM-IKGGRYGDSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039416339 691102066 /nfs/dbraw/zinc/10/20/66/691102066.db2.gz VHDNEHBSBCDKTM-CVEARBPZSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040735571 691283802 /nfs/dbraw/zinc/28/38/02/691283802.db2.gz SLBHPMQDINLRHJ-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040848987 691292799 /nfs/dbraw/zinc/29/27/99/691292799.db2.gz MZPGJRQGVUNUQM-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040895014 691296017 /nfs/dbraw/zinc/29/60/17/691296017.db2.gz RCCFFJCDZUNMID-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041345518 691364477 /nfs/dbraw/zinc/36/44/77/691364477.db2.gz AYKNKIXIMMSMFS-HKUYNNGSSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377351 691369072 /nfs/dbraw/zinc/36/90/72/691369072.db2.gz AZMTZZNESNNCAS-FUHWJXTLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297553 691560405 /nfs/dbraw/zinc/56/04/05/691560405.db2.gz QMBFOCHVOCYZQS-AEFFLSMTSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630264 691861389 /nfs/dbraw/zinc/86/13/89/691861389.db2.gz UMWRUKKNKJVJOT-KBPBESRZSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585141 692001241 /nfs/dbraw/zinc/00/12/41/692001241.db2.gz NZJQUVUYFLKXJS-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045949095 692061011 /nfs/dbraw/zinc/06/10/11/692061011.db2.gz XRFMPTZWGCPTHO-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047257888 692402997 /nfs/dbraw/zinc/40/29/97/692402997.db2.gz VOBVDADWIYGUFH-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP 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 692712009 /nfs/dbraw/zinc/71/20/09/692712009.db2.gz YSCXJPUKJOFPSO-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049560336 692921766 /nfs/dbraw/zinc/92/17/66/692921766.db2.gz XONMCMAGCZMLNT-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049702241 692969061 /nfs/dbraw/zinc/96/90/61/692969061.db2.gz FXRWSOSMHHCCAJ-YESZJQIVSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049713553 692972563 /nfs/dbraw/zinc/97/25/63/692972563.db2.gz ZGXFRJNHUXBAJC-YESZJQIVSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049760996 692991081 /nfs/dbraw/zinc/99/10/81/692991081.db2.gz FAESSFWZRITWIP-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764414 693614890 /nfs/dbraw/zinc/61/48/90/693614890.db2.gz OUTYQYPMJJLDMH-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001333141916 1150006488 /nfs/dbraw/zinc/00/64/88/1150006488.db2.gz QZAHEZNGBYQTAY-DAWZGUTISA-N 2 0 315.461 2.444 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001402894078 1162522057 /nfs/dbraw/zinc/52/20/57/1162522057.db2.gz HTLMPDIIAZTONH-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001363246926 1153292168 /nfs/dbraw/zinc/29/21/68/1153292168.db2.gz FOBMBVBFSMHHDQ-UHFFFAOYSA-N 2 0 316.493 2.490 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001382518597 1153461214 /nfs/dbraw/zinc/46/12/14/1153461214.db2.gz FLRLFSXLKSLCDZ-ZIAGYGMSSA-N 2 0 317.905 2.446 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001403032730 1162642799 /nfs/dbraw/zinc/64/27/99/1162642799.db2.gz QSVBGSKIGMDDKI-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001403065690 1162685351 /nfs/dbraw/zinc/68/53/51/1162685351.db2.gz DSWUNJBNRTWPPP-ZDUSSCGKSA-N 2 0 309.841 2.209 20 30 DEEDRP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001393880429 1158041034 /nfs/dbraw/zinc/04/10/34/1158041034.db2.gz BYZSOTKWPGEWIO-KGLIPLIRSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001399224637 1161289439 /nfs/dbraw/zinc/28/94/39/1161289439.db2.gz LBTJESHYAFIDJJ-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001400170290 1161675417 /nfs/dbraw/zinc/67/54/17/1161675417.db2.gz USXUISWUYMQEPE-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001400861675 1161836740 /nfs/dbraw/zinc/83/67/40/1161836740.db2.gz XEWJYVSWXGBTDU-CABCVRRESA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001422051399 1172257020 /nfs/dbraw/zinc/25/70/20/1172257020.db2.gz GOISAFNQLLVSAZ-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001425950116 1174531756 /nfs/dbraw/zinc/53/17/56/1174531756.db2.gz HJTBPZFRSROJKK-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001436669379 1179177541 /nfs/dbraw/zinc/17/75/41/1179177541.db2.gz OIEKNEXXEIGOKT-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001437927790 1180085703 /nfs/dbraw/zinc/08/57/03/1180085703.db2.gz GQXGGHRIZJMGNF-GJZGRUSLSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001447994567 1185007713 /nfs/dbraw/zinc/00/77/13/1185007713.db2.gz TYVKYFZFBPVJQU-UHFFFAOYSA-N 2 0 303.878 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001448725603 1185384467 /nfs/dbraw/zinc/38/44/67/1185384467.db2.gz MQQIPMOXJODZBQ-CYBMUJFWSA-N 2 0 303.878 2.153 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099199766 782524132 /nfs/dbraw/zinc/52/41/32/782524132.db2.gz QVKGTSOVHWCVDT-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086842206 790325353 /nfs/dbraw/zinc/32/53/53/790325353.db2.gz SKUBPBGFTSVTOC-DOTOQJQBSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357750 782669266 /nfs/dbraw/zinc/66/92/66/782669266.db2.gz MRFJCUFZMRPXJN-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106431381 782711180 /nfs/dbraw/zinc/71/11/80/782711180.db2.gz FLQFJEHZPMMFKD-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386055 783062881 /nfs/dbraw/zinc/06/28/81/783062881.db2.gz MGQGJJJTCOVEAA-IAGOWNOFSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429939 783099252 /nfs/dbraw/zinc/09/92/52/783099252.db2.gz GBHWISLUSDSHAA-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437843 783136781 /nfs/dbraw/zinc/13/67/81/783136781.db2.gz TYWBVRUITCYPJB-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552997 783170967 /nfs/dbraw/zinc/17/09/67/783170967.db2.gz YSTAZHOARAUJEO-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947727193 783215586 /nfs/dbraw/zinc/21/55/86/783215586.db2.gz WEEWWWMPJPHDDZ-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104319390 777043008 /nfs/dbraw/zinc/04/30/08/777043008.db2.gz RCFIOJKQRKIGHT-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104362766 777132906 /nfs/dbraw/zinc/13/29/06/777132906.db2.gz IUARLNBQQGTMJC-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588725 777953534 /nfs/dbraw/zinc/95/35/34/777953534.db2.gz NXSHJAYHSNEMJB-VSZNYVQBSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784878 778546261 /nfs/dbraw/zinc/54/62/61/778546261.db2.gz ZTCLTSHDEYPVEM-UHFFFAOYSA-N 2 0 315.889 2.347 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636355 779389255 /nfs/dbraw/zinc/38/92/55/779389255.db2.gz MJEGFLHFNMCVDP-GVDBMIGSSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966163 779578268 /nfs/dbraw/zinc/57/82/68/779578268.db2.gz NRIRJJLHEJVLRG-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088022837 779641926 /nfs/dbraw/zinc/64/19/26/779641926.db2.gz BEVBIBRJOOHGKN-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000985467096 779846656 /nfs/dbraw/zinc/84/66/56/779846656.db2.gz HQRCSKGHBVBXNL-UHFFFAOYSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001088315148 779938744 /nfs/dbraw/zinc/93/87/44/779938744.db2.gz PSZLXSUMPFJLTG-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088326809 779960784 /nfs/dbraw/zinc/96/07/84/779960784.db2.gz YAYFWMIYGDBHNG-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001088367150 780029156 /nfs/dbraw/zinc/02/91/56/780029156.db2.gz CNUYTDSVDBEVIN-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001088380909 780048065 /nfs/dbraw/zinc/04/80/65/780048065.db2.gz SDRKJBXKUBDKJX-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692853 780828462 /nfs/dbraw/zinc/82/84/62/780828462.db2.gz ALIMOFUAMNVCSP-IKGGRYGDSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091064750 790888746 /nfs/dbraw/zinc/88/87/46/790888746.db2.gz OOLVDZBXWMXNQV-AQFXKWCLSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908664 783265700 /nfs/dbraw/zinc/26/57/00/783265700.db2.gz URMKDRXJQMGDQX-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948365552 783440906 /nfs/dbraw/zinc/44/09/06/783440906.db2.gz QHPSZRJTFBKSLF-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379543 784340394 /nfs/dbraw/zinc/34/03/94/784340394.db2.gz YSXUBEAQMMERIO-CABCVRRESA-N 2 0 304.438 2.019 20 30 DEEDRP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968857080 784621790 /nfs/dbraw/zinc/62/17/90/784621790.db2.gz SLTOKWYLGGMSMK-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882154 784635403 /nfs/dbraw/zinc/63/54/03/784635403.db2.gz IPIJGWQFCHTNTO-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969001611 784685007 /nfs/dbraw/zinc/68/50/07/784685007.db2.gz CMKACFISMCVEPP-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122592 785044630 /nfs/dbraw/zinc/04/46/30/785044630.db2.gz AVBCNVSYHLYNQW-BCDXTJNWSA-N 3 0 300.450 2.279 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008746760 785292908 /nfs/dbraw/zinc/29/29/08/785292908.db2.gz JNVDAMGWQBMJGQ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008767698 785298739 /nfs/dbraw/zinc/29/87/39/785298739.db2.gz KIKMSRRQUIXJCP-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008771703 785299765 /nfs/dbraw/zinc/29/97/65/785299765.db2.gz UXPPYBNRZBGZLU-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009146016 785395998 /nfs/dbraw/zinc/39/59/98/785395998.db2.gz QCXXMFPWLWMKSF-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001108720212 785514388 /nfs/dbraw/zinc/51/43/88/785514388.db2.gz KPNWJDOLWQBMMO-UAGQMJEPSA-N 2 0 324.428 2.493 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171246870 791120301 /nfs/dbraw/zinc/12/03/01/791120301.db2.gz HOEFDSGBVKKBST-AEFFLSMTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108798672 785542134 /nfs/dbraw/zinc/54/21/34/785542134.db2.gz GGBFSAFAJYXTLR-BBWFWOEESA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799720 785543345 /nfs/dbraw/zinc/54/33/45/785543345.db2.gz SNFMTHDTLBXICX-BBWFWOEESA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001112979837 786340424 /nfs/dbraw/zinc/34/04/24/786340424.db2.gz IYYJSGASMNRKTA-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001113346251 786538914 /nfs/dbraw/zinc/53/89/14/786538914.db2.gz SWWAYYFTOUWXID-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP N#CC1(c2ccccc2)CCC(NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001170362170 786922321 /nfs/dbraw/zinc/92/23/21/786922321.db2.gz OAMCSSZRXRIOBN-UHFFFAOYSA-N 2 0 313.449 2.243 20 30 DEEDRP 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 787450239 /nfs/dbraw/zinc/45/02/39/787450239.db2.gz GOIHRPKPAVQGBS-YVSFHVDLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107536 787934188 /nfs/dbraw/zinc/93/41/88/787934188.db2.gz ZZUIUNQAOFOVHD-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141215 787945755 /nfs/dbraw/zinc/94/57/55/787945755.db2.gz PRDBQICFLSYNDC-HOTGVXAUSA-N 2 0 316.449 2.063 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210583 787966077 /nfs/dbraw/zinc/96/60/77/787966077.db2.gz IGQZGBDGOYGNCQ-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CN(C)Cc2ccccc2)CC[C@@H]1C ZINC001132541314 788118182 /nfs/dbraw/zinc/11/81/82/788118182.db2.gz CVMAMHLASMIAOY-FUHWJXTLSA-N 2 0 315.461 2.274 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132972649 788240113 /nfs/dbraw/zinc/24/01/13/788240113.db2.gz DDIBVQNYWKPUDT-RDJZCZTQSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133161726 788303946 /nfs/dbraw/zinc/30/39/46/788303946.db2.gz ADUOMBBJLVWNLP-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134493685 788956159 /nfs/dbraw/zinc/95/61/59/788956159.db2.gz NBUFGHVPAAAFPK-QWHCGFSZSA-N 2 0 309.479 2.482 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892083 789124077 /nfs/dbraw/zinc/12/40/77/789124077.db2.gz JUYSCTYZXGZYHX-ZIAGYGMSSA-N 2 0 300.406 2.397 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135610763 789417817 /nfs/dbraw/zinc/41/78/17/789417817.db2.gz ZYGCWDMCJQNDHG-ZIAGYGMSSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767505 789481053 /nfs/dbraw/zinc/48/10/53/789481053.db2.gz DUOUCMZNNXKBQJ-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507703 789747691 /nfs/dbraw/zinc/74/76/91/789747691.db2.gz AKFDOEFHWZMOEI-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873448 789953104 /nfs/dbraw/zinc/95/31/04/789953104.db2.gz WNKMOCJKWLEGTQ-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071996826 790004406 /nfs/dbraw/zinc/00/44/06/790004406.db2.gz VHEFUGGEBBHMEC-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074695216 791266996 /nfs/dbraw/zinc/26/69/96/791266996.db2.gz NDBHXLPKOOPRLH-KKUMJFAQSA-N 2 0 313.873 2.192 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146584693 791309955 /nfs/dbraw/zinc/30/99/55/791309955.db2.gz UMHKARHWOLRVOH-HOTGVXAUSA-N 2 0 315.461 2.258 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(=C)C)CC1 ZINC001146612051 791322363 /nfs/dbraw/zinc/32/23/63/791322363.db2.gz PDHSWMFUUGNLLM-DLBZAZTESA-N 2 0 319.493 2.171 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148840013 791809431 /nfs/dbraw/zinc/80/94/31/791809431.db2.gz XZMCKHPFEZUEPR-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681409 792785485 /nfs/dbraw/zinc/78/54/85/792785485.db2.gz IDJNRLLIYPDLRP-UHFFFAOYSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171501256 793114873 /nfs/dbraw/zinc/11/48/73/793114873.db2.gz QRWFCKKGGGACSG-UONOGXRCSA-N 2 0 303.878 2.344 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461598 793168552 /nfs/dbraw/zinc/16/85/52/793168552.db2.gz KEFILOZKAZVGKK-SCTDSRPQSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171810678 793220537 /nfs/dbraw/zinc/22/05/37/793220537.db2.gz AXQQGBRGCQHFDQ-OAHLLOKOSA-N 2 0 312.417 2.236 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171811324 793220846 /nfs/dbraw/zinc/22/08/46/793220846.db2.gz FRMAGEIPOXMVHM-AWEZNQCLSA-N 2 0 300.406 2.399 20 30 DEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172291794 793405992 /nfs/dbraw/zinc/40/59/92/793405992.db2.gz ACHXUJMITXUERW-MRXNPFEDSA-N 2 0 314.477 2.105 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172954463 793554348 /nfs/dbraw/zinc/55/43/48/793554348.db2.gz SXOYKEVXUHTJMR-RTBURBONSA-N 2 0 321.509 2.236 20 30 DEEDRP C=CCN1CCC[C@@H]([NH2+]C2CCC([NH+](CC)CC)CC2)C1=O ZINC001173107392 793581587 /nfs/dbraw/zinc/58/15/87/793581587.db2.gz QBLAODNASAFOJR-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCOC1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001173320050 793691311 /nfs/dbraw/zinc/69/13/11/793691311.db2.gz GDWLQRXCOKWCDL-UHFFFAOYSA-N 2 0 321.509 2.212 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174441 793969323 /nfs/dbraw/zinc/96/93/23/793969323.db2.gz NLYDVLFPXNPLLU-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185951 793974492 /nfs/dbraw/zinc/97/44/92/793974492.db2.gz ZWFUDUPZKDYGHW-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649899 794042631 /nfs/dbraw/zinc/04/26/31/794042631.db2.gz KZDPRTCEIHXXBJ-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426956 794088502 /nfs/dbraw/zinc/08/85/02/794088502.db2.gz UOXXJCJEQXHVQC-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175711543 794279503 /nfs/dbraw/zinc/27/95/03/794279503.db2.gz WEAIYZBKMNOOSG-MRXNPFEDSA-N 2 0 315.461 2.260 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175966387 794320325 /nfs/dbraw/zinc/32/03/25/794320325.db2.gz AEHDUVDPJPSSGB-QGZVFWFLSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185960 794414090 /nfs/dbraw/zinc/41/40/90/794414090.db2.gz RHSZCUGFJHDRMX-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176760441 794499019 /nfs/dbraw/zinc/49/90/19/794499019.db2.gz WPOPNVPWISTMAD-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112428432 794632078 /nfs/dbraw/zinc/63/20/78/794632078.db2.gz HSRXJMOFDVZDCN-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)[NH+](C)C ZINC001177348158 794651790 /nfs/dbraw/zinc/65/17/90/794651790.db2.gz APCULVPSQUNBNS-GOSISDBHSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338341 794739929 /nfs/dbraw/zinc/73/99/29/794739929.db2.gz JCEQNEFUEPFHOY-DZFIZOCASA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617135 794844563 /nfs/dbraw/zinc/84/45/63/794844563.db2.gz DSEYKYSFRSDFRS-UHFFFAOYSA-N 2 0 324.428 2.380 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729931 794899352 /nfs/dbraw/zinc/89/93/52/794899352.db2.gz YJVTWGSWSFBBHG-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC001178704513 794982588 /nfs/dbraw/zinc/98/25/88/794982588.db2.gz XRVCYHZRASEHPM-HOCLYGCPSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814953 795013174 /nfs/dbraw/zinc/01/31/74/795013174.db2.gz XOMQSZLSCONCQR-JYJNAYRXSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925442 795021868 /nfs/dbraw/zinc/02/18/68/795021868.db2.gz HYVPKFQWGZAOBB-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178920561 795031108 /nfs/dbraw/zinc/03/11/08/795031108.db2.gz ADTUWOZTFWWQPD-SFHVURJKSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179393059 795112960 /nfs/dbraw/zinc/11/29/60/795112960.db2.gz ODBYFVLDSFXVED-UHFFFAOYSA-N 2 0 307.438 2.407 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2CC2)CC1 ZINC001180361278 795278642 /nfs/dbraw/zinc/27/86/42/795278642.db2.gz WRRZSYWTSBOALC-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001180373084 795292671 /nfs/dbraw/zinc/29/26/71/795292671.db2.gz ROWOELJZKDTHLI-GOSISDBHSA-N 2 0 321.509 2.396 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCCC1 ZINC001120208241 795422096 /nfs/dbraw/zinc/42/20/96/795422096.db2.gz WWCDINJADAIZRS-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448882 795462409 /nfs/dbraw/zinc/46/24/09/795462409.db2.gz HYEZEMJVDOBXPF-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120470997 795467376 /nfs/dbraw/zinc/46/73/76/795467376.db2.gz VEPGDOZPGAOTPK-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP 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 795497044 /nfs/dbraw/zinc/49/70/44/795497044.db2.gz SEESUPORYYPURQ-SFNKJDCFSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001120835075 795539905 /nfs/dbraw/zinc/53/99/05/795539905.db2.gz VIQXQKAMNDTETH-LMBQMVEXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001182346142 795653292 /nfs/dbraw/zinc/65/32/92/795653292.db2.gz KZFUVBBPLGDEDW-ZIFCJYIRSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628452 795664159 /nfs/dbraw/zinc/66/41/59/795664159.db2.gz NCTPOGOSEMKHGX-XLWKGDHDSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122106527 795726131 /nfs/dbraw/zinc/72/61/31/795726131.db2.gz LDCARUYTUKQUHD-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183408908 795866583 /nfs/dbraw/zinc/86/65/83/795866583.db2.gz COXSCKDJEJQYSZ-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184726162 796116562 /nfs/dbraw/zinc/11/65/62/796116562.db2.gz VEMKLJGEXDLLOK-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001188139627 796631673 /nfs/dbraw/zinc/63/16/73/796631673.db2.gz QGENXBGBZYQCTK-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084463 796935370 /nfs/dbraw/zinc/93/53/70/796935370.db2.gz NSMKORKPADPTCE-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190491575 797020963 /nfs/dbraw/zinc/02/09/63/797020963.db2.gz IQUWTLFYMDJPNY-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191080606 797133662 /nfs/dbraw/zinc/13/36/62/797133662.db2.gz JQHHDHZFJUIQGN-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050325 797135077 /nfs/dbraw/zinc/13/50/77/797135077.db2.gz HBJDHAUHGZJUBU-QGZVFWFLSA-N 2 0 316.449 2.017 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019229 797305610 /nfs/dbraw/zinc/30/56/10/797305610.db2.gz VRSZPKOCFWELKD-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001192293306 797356224 /nfs/dbraw/zinc/35/62/24/797356224.db2.gz HRLXRDJEKYDFHN-GJZGRUSLSA-N 2 0 316.449 2.329 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194265252 797702174 /nfs/dbraw/zinc/70/21/74/797702174.db2.gz COLPZFQJJBOCAK-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001156305732 797970853 /nfs/dbraw/zinc/97/08/53/797970853.db2.gz GLYZYGQBNHKFAB-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](CCC)CCC ZINC001156319176 797973293 /nfs/dbraw/zinc/97/32/93/797973293.db2.gz PJSGTKQGVKODLH-QGZVFWFLSA-N 2 0 309.498 2.348 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893494 797976252 /nfs/dbraw/zinc/97/62/52/797976252.db2.gz GWMMXVZKAQPGBF-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195866033 797977720 /nfs/dbraw/zinc/97/77/20/797977720.db2.gz SLIWKMGREXOBBC-SJLPKXTDSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641763 798082011 /nfs/dbraw/zinc/08/20/11/798082011.db2.gz PPQJWRULSJWZNS-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC)CC1 ZINC001157092051 798142447 /nfs/dbraw/zinc/14/24/47/798142447.db2.gz HRLPQWWUDZJJFW-DLBZAZTESA-N 2 0 321.509 2.204 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001157132189 798147886 /nfs/dbraw/zinc/14/78/86/798147886.db2.gz DTEIOOCGNOLLCH-AEFFLSMTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097374 798342293 /nfs/dbraw/zinc/34/22/93/798342293.db2.gz ANLOZRLAICHJJS-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158099481 798342829 /nfs/dbraw/zinc/34/28/29/798342829.db2.gz PJZAYDAQNCZGEQ-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203316453 798349445 /nfs/dbraw/zinc/34/94/45/798349445.db2.gz HENQYYZMQNQXOM-HZPDHXFCSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158433976 798407713 /nfs/dbraw/zinc/40/77/13/798407713.db2.gz FLSCBYPCMVJTGO-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001158800515 798470780 /nfs/dbraw/zinc/47/07/80/798470780.db2.gz DUARDVDEMFUFOK-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787687 798740834 /nfs/dbraw/zinc/74/08/34/798740834.db2.gz PGLHDGJWDIPPJM-SFHVURJKSA-N 2 0 317.477 2.185 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569105 798781421 /nfs/dbraw/zinc/78/14/21/798781421.db2.gz CQYLEKJWROSERZ-TVFCKZIOSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161699554 798915516 /nfs/dbraw/zinc/91/55/16/798915516.db2.gz UGNIEHAAOGOFFJ-ROUUACIJSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001202495988 798985614 /nfs/dbraw/zinc/98/56/14/798985614.db2.gz LWSIHAWKMMXABN-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114413637 799094904 /nfs/dbraw/zinc/09/49/04/799094904.db2.gz DCKKBRNURRQGRC-DZFIZOCASA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164537000 799619419 /nfs/dbraw/zinc/61/94/19/799619419.db2.gz ZIWKAOLFOJSBNM-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189421 799839503 /nfs/dbraw/zinc/83/95/03/799839503.db2.gz ILHAQAXCERJTLD-UHFFFAOYSA-N 2 0 312.417 2.400 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730480 800112746 /nfs/dbraw/zinc/11/27/46/800112746.db2.gz LJWMWVLNNQTPAC-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284932 800336345 /nfs/dbraw/zinc/33/63/45/800336345.db2.gz UGJMJKLIDJKYLX-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001205314944 800341628 /nfs/dbraw/zinc/34/16/28/800341628.db2.gz WNTHZPXAZLAFKC-GOSISDBHSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205621545 800389119 /nfs/dbraw/zinc/38/91/19/800389119.db2.gz XZWBKXIOBKWCHW-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001206754144 800583470 /nfs/dbraw/zinc/58/34/70/800583470.db2.gz JNQMOJSQHCZVPH-UHFFFAOYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871230 800611638 /nfs/dbraw/zinc/61/16/38/800611638.db2.gz CVOZICCBTDWFLN-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CC(C)(C)C[NH+](C)C)CC2 ZINC001207275410 800721351 /nfs/dbraw/zinc/72/13/51/800721351.db2.gz NJHJTTJVYJARFB-UHFFFAOYSA-N 2 0 323.481 2.295 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684020 800806648 /nfs/dbraw/zinc/80/66/48/800806648.db2.gz JSEUJEWQYUMTLX-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208432234 800982443 /nfs/dbraw/zinc/98/24/43/800982443.db2.gz SCGSRKRSSSEALK-BZUAXINKSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210584667 801426359 /nfs/dbraw/zinc/42/63/59/801426359.db2.gz JPNNCPPYMVUDTH-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210633489 801436362 /nfs/dbraw/zinc/43/63/62/801436362.db2.gz DPPISYLKLAPEOG-ZWKOTPCHSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230629271 801440966 /nfs/dbraw/zinc/44/09/66/801440966.db2.gz NDEZETUKVMUOTI-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215067326 801797779 /nfs/dbraw/zinc/79/77/79/801797779.db2.gz QCAUZUAZKGALRA-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001215407388 801857293 /nfs/dbraw/zinc/85/72/93/801857293.db2.gz BVVNNQDJNOTPPG-GDBMZVCRSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053482 801931610 /nfs/dbraw/zinc/93/16/10/801931610.db2.gz OXJOZCOCTZMSIG-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1[nH]ccc1C#N ZINC001233047563 802014055 /nfs/dbraw/zinc/01/40/55/802014055.db2.gz CWWDHRSCZJSLPI-UHFFFAOYSA-N 2 0 319.497 2.372 20 30 DEEDRP N#Cc1c2ccccc2sc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218649091 802220925 /nfs/dbraw/zinc/22/09/25/802220925.db2.gz QIVDJAFAPCTBRH-AWEZNQCLSA-N 2 0 314.414 2.038 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398402 802566755 /nfs/dbraw/zinc/56/67/55/802566755.db2.gz YUUWLINHXCRHNQ-ROUUACIJSA-N 2 0 315.461 2.281 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877808 802623236 /nfs/dbraw/zinc/62/32/36/802623236.db2.gz KHFIUXAPOBSNAW-KZNAEPCWSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001223362337 802784509 /nfs/dbraw/zinc/78/45/09/802784509.db2.gz MNOUYQKOXIMHHS-MRXNPFEDSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001227954308 803298578 /nfs/dbraw/zinc/29/85/78/803298578.db2.gz RZZNEFWPAFFOMD-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001227986645 803302127 /nfs/dbraw/zinc/30/21/27/803302127.db2.gz IIKQIGZYSPIJDG-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001228932522 803433149 /nfs/dbraw/zinc/43/31/49/803433149.db2.gz PFESNYOLAMOUQC-KURKYZTESA-N 2 0 319.493 2.290 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001328037858 1148704507 /nfs/dbraw/zinc/70/45/07/1148704507.db2.gz DAIAQLPRTKFIDN-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001420087183 1169152803 /nfs/dbraw/zinc/15/28/03/1169152803.db2.gz MILIVWVNDDPYRM-DZGCQCFKSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001368457753 1148453375 /nfs/dbraw/zinc/45/33/75/1148453375.db2.gz SSTSRESSIKGODV-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001501143060 1059326224 /nfs/dbraw/zinc/32/62/24/1059326224.db2.gz IPAAOSZSXVLKDV-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501637229 1059594240 /nfs/dbraw/zinc/59/42/40/1059594240.db2.gz FETWOJDGHUJLBZ-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001501968675 1059820292 /nfs/dbraw/zinc/82/02/92/1059820292.db2.gz SEVSUKVRZKRPQQ-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001502134975 1059980554 /nfs/dbraw/zinc/98/05/54/1059980554.db2.gz DRGBKUUVUNBURW-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C#CC[NH+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001502389278 1060100102 /nfs/dbraw/zinc/10/01/02/1060100102.db2.gz YZYMVDMPLHAIFM-SFHVURJKSA-N 2 0 315.461 2.093 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001502406878 1060116305 /nfs/dbraw/zinc/11/63/05/1060116305.db2.gz VOAITMARXMPEOZ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001503023404 1060425271 /nfs/dbraw/zinc/42/52/71/1060425271.db2.gz LSTUVCMWANUGFA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001472131084 1060426260 /nfs/dbraw/zinc/42/62/60/1060426260.db2.gz LWLNPPVVHLDDCR-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001479985466 1062146919 /nfs/dbraw/zinc/14/69/19/1062146919.db2.gz PIDKWIWTYKRYNX-HZPDHXFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001479986054 1062149211 /nfs/dbraw/zinc/14/92/11/1062149211.db2.gz CFDIURQADFGQRB-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506679176 1062272184 /nfs/dbraw/zinc/27/21/84/1062272184.db2.gz NGUGTQGEQVDQNZ-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001480140752 1062377686 /nfs/dbraw/zinc/37/76/86/1062377686.db2.gz GJKFJDVEPNCEFL-LUKYLMHMSA-N 2 0 307.482 2.452 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190346 1062443293 /nfs/dbraw/zinc/44/32/93/1062443293.db2.gz ZVJBHTKUQNHSTF-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001480190230 1062443468 /nfs/dbraw/zinc/44/34/68/1062443468.db2.gz YNDVNPFPVJPCEM-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480317466 1062636722 /nfs/dbraw/zinc/63/67/22/1062636722.db2.gz VPXMRBSHKUMPFY-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP 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 1062795905 /nfs/dbraw/zinc/79/59/05/1062795905.db2.gz QZCPPOWEYVQDOE-DZVNLGKHSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001507326534 1063101497 /nfs/dbraw/zinc/10/14/97/1063101497.db2.gz VDYKPEXRQBPZOA-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001507339608 1063122232 /nfs/dbraw/zinc/12/22/32/1063122232.db2.gz ODVHSNZYMYNGSY-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480728817 1063256298 /nfs/dbraw/zinc/25/62/98/1063256298.db2.gz ANMCCTSSAKVOLS-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001508016057 1063496063 /nfs/dbraw/zinc/49/60/63/1063496063.db2.gz KYWBMMGWMKJVIE-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001493086696 1063549537 /nfs/dbraw/zinc/54/95/37/1063549537.db2.gz UMMAIEFVKRAGCH-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001493222081 1063646641 /nfs/dbraw/zinc/64/66/41/1063646641.db2.gz DHLHADDJEFNHPU-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494047048 1064102331 /nfs/dbraw/zinc/10/23/31/1064102331.db2.gz GQXGGHRIZJMGNF-HUUCEWRRSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001567496519 1064225292 /nfs/dbraw/zinc/22/52/92/1064225292.db2.gz NYNRVBWFOLILSE-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001567633231 1064292635 /nfs/dbraw/zinc/29/26/35/1064292635.db2.gz HVOXVCNOCWFOGE-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001567727398 1064380793 /nfs/dbraw/zinc/38/07/93/1064380793.db2.gz IBJHJAKIHADKKJ-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001567738825 1064392449 /nfs/dbraw/zinc/39/24/49/1064392449.db2.gz SVPCBWYJFMHRAE-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567738836 1064393148 /nfs/dbraw/zinc/39/31/48/1064393148.db2.gz JALNHYJKEOTOFC-QGZVFWFLSA-N 2 0 315.461 2.328 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001568126320 1064660258 /nfs/dbraw/zinc/66/02/58/1064660258.db2.gz ZCUFLQXFVFJRDW-SFHVURJKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001568330487 1064781311 /nfs/dbraw/zinc/78/13/11/1064781311.db2.gz BHGBCOSDVMATQS-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568535573 1064946604 /nfs/dbraw/zinc/94/66/04/1064946604.db2.gz FQRVDRHVOACOAB-CVEARBPZSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001495521425 1064962788 /nfs/dbraw/zinc/96/27/88/1064962788.db2.gz VCXJJZRWPUZYAB-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001496324139 1065407827 /nfs/dbraw/zinc/40/78/27/1065407827.db2.gz NOEXDIDXNFYAPU-SFHVURJKSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC001623623412 1078206597 /nfs/dbraw/zinc/20/65/97/1078206597.db2.gz OXDPXXVBCIYLJV-GOSISDBHSA-N 2 0 317.477 2.174 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386856 1065484638 /nfs/dbraw/zinc/48/46/38/1065484638.db2.gz WZDXBBSGTCDAPE-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569711533 1065683843 /nfs/dbraw/zinc/68/38/43/1065683843.db2.gz DWLBTAFQQUGJST-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001569821893 1065742839 /nfs/dbraw/zinc/74/28/39/1065742839.db2.gz UCDNQTKBYCBQRF-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001569856863 1065771036 /nfs/dbraw/zinc/77/10/36/1065771036.db2.gz YHTUVRLMHZMLRM-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001569921035 1065822935 /nfs/dbraw/zinc/82/29/35/1065822935.db2.gz BKMRKGYMJSSKST-DLBZAZTESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001570449586 1066076997 /nfs/dbraw/zinc/07/69/97/1066076997.db2.gz RNAWFJCAOLMOJT-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001497444770 1066097598 /nfs/dbraw/zinc/09/75/98/1066097598.db2.gz ODXNUUCAKMMGPS-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]cn2)[C@H](C)C1 ZINC001499834825 1067353552 /nfs/dbraw/zinc/35/35/52/1067353552.db2.gz KFDXUAXYTNYZHU-CABCVRRESA-N 2 0 304.438 2.278 20 30 DEEDRP C=CCCC[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001671179984 1078531054 /nfs/dbraw/zinc/53/10/54/1078531054.db2.gz ZHFRJKBPHDLDPM-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001267151831 1078616182 /nfs/dbraw/zinc/61/61/82/1078616182.db2.gz VOXXRSQEPIZTPD-SJLPKXTDSA-N 2 0 315.461 2.187 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001570544293 1067997173 /nfs/dbraw/zinc/99/71/73/1067997173.db2.gz UFGNYADXIFYEMP-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001640016137 1078637870 /nfs/dbraw/zinc/63/78/70/1078637870.db2.gz QRPKIYGAKMDXDU-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=C)C ZINC001267169503 1078633501 /nfs/dbraw/zinc/63/35/01/1078633501.db2.gz QJNCFBUZIPTGHX-ROUUACIJSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001267185295 1078649217 /nfs/dbraw/zinc/64/92/17/1078649217.db2.gz MKLHWAAGRCQSMU-HOCLYGCPSA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001570813751 1068126360 /nfs/dbraw/zinc/12/63/60/1068126360.db2.gz GMKVCQQYIBQNID-WMZOPIPTSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267191810 1078654198 /nfs/dbraw/zinc/65/41/98/1078654198.db2.gz YZOJGULYHRSKRL-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001570845820 1068137901 /nfs/dbraw/zinc/13/79/01/1068137901.db2.gz QQZIGBAXFNLLJG-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001571129403 1068184628 /nfs/dbraw/zinc/18/46/28/1068184628.db2.gz GSHWYBYITJLKIB-LUKYLMHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001571168741 1068188423 /nfs/dbraw/zinc/18/84/23/1068188423.db2.gz SBAIFCVJNKIYBR-QAQDUYKDSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001571277159 1068208743 /nfs/dbraw/zinc/20/87/43/1068208743.db2.gz KAIGTSDOFJWZOM-HNNXBMFYSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001571504866 1068365131 /nfs/dbraw/zinc/36/51/31/1068365131.db2.gz JQIWSPCWVNVWLP-SJLPKXTDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001571569179 1068424761 /nfs/dbraw/zinc/42/47/61/1068424761.db2.gz ZCTFZSKGDOKKEX-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282703 1078729612 /nfs/dbraw/zinc/72/96/12/1078729612.db2.gz SEIQBCRPBXEESW-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CC[NH2+]CC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC001521482743 1069246668 /nfs/dbraw/zinc/24/66/68/1069246668.db2.gz SMJFPDLUHGZXON-INIZCTEOSA-N 2 0 315.461 2.235 20 30 DEEDRP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](C)[NH+](C)C ZINC001574835252 1069273890 /nfs/dbraw/zinc/27/38/90/1069273890.db2.gz NHYOHUIZALYEGU-CABCVRRESA-N 2 0 320.485 2.055 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481050580 1079126654 /nfs/dbraw/zinc/12/66/54/1079126654.db2.gz QDMAXYVGKGGMHO-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001483863050 1079157238 /nfs/dbraw/zinc/15/72/38/1079157238.db2.gz KRGJOPATNHHIDB-RDJZCZTQSA-N 2 0 307.482 2.357 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001483997331 1079230786 /nfs/dbraw/zinc/23/07/86/1079230786.db2.gz WJSRGGWFHMLMRQ-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001484001625 1079237260 /nfs/dbraw/zinc/23/72/60/1079237260.db2.gz QESBCDMXSGIOPH-DJIMGWMZSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001484126373 1079315427 /nfs/dbraw/zinc/31/54/27/1079315427.db2.gz VVNOWTMREWJNBS-IBGZPJMESA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001267670461 1079360015 /nfs/dbraw/zinc/36/00/15/1079360015.db2.gz RRTQGKNSLMLIGB-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001566027645 1075218351 /nfs/dbraw/zinc/21/83/51/1075218351.db2.gz SPTIZKAVORITNM-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001566122343 1075231715 /nfs/dbraw/zinc/23/17/15/1075231715.db2.gz UKZPGSOKADCMDC-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001566735747 1075329249 /nfs/dbraw/zinc/32/92/49/1075329249.db2.gz KGZDIJDVBHXAEH-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001566755472 1075335795 /nfs/dbraw/zinc/33/57/95/1075335795.db2.gz HUHVFHSKWNQHGC-NCOADZHNSA-N 2 0 307.482 2.357 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566794602 1075346961 /nfs/dbraw/zinc/34/69/61/1075346961.db2.gz IANHHHADZPGELL-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001566841860 1075358388 /nfs/dbraw/zinc/35/83/88/1075358388.db2.gz IJZTWRONWMDSMF-NXOAAHMSSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001566854936 1075363220 /nfs/dbraw/zinc/36/32/20/1075363220.db2.gz UAQPLBMYEGXMAR-VVLHAWIVSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566893438 1075376061 /nfs/dbraw/zinc/37/60/61/1075376061.db2.gz IDMNMJBSVVOVKX-WMZOPIPTSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001566940659 1075394557 /nfs/dbraw/zinc/39/45/57/1075394557.db2.gz NAQSGMUQEHXOPA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001566984999 1075408380 /nfs/dbraw/zinc/40/83/80/1075408380.db2.gz KPDGFIMJPYCWDP-UHFFFAOYSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567143975 1075443133 /nfs/dbraw/zinc/44/31/33/1075443133.db2.gz UDDBUKZZVUYBCG-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001567264047 1075480242 /nfs/dbraw/zinc/48/02/42/1075480242.db2.gz AOAGJFPZOPVNRW-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001484401093 1079592149 /nfs/dbraw/zinc/59/21/49/1079592149.db2.gz FXQCDNQSEBJPPX-SFHVURJKSA-N 2 0 315.461 2.133 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C\CC)C1 ZINC001267942081 1079622701 /nfs/dbraw/zinc/62/27/01/1079622701.db2.gz ACQIIPRAJUUXSE-WIJVFFIESA-N 2 0 317.477 2.021 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001484581915 1079670345 /nfs/dbraw/zinc/67/03/45/1079670345.db2.gz KZSFEZYFENUCAO-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484742677 1079760989 /nfs/dbraw/zinc/76/09/89/1079760989.db2.gz KLTUJHACGXPRMN-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484905179 1079853370 /nfs/dbraw/zinc/85/33/70/1079853370.db2.gz FGKQUCUTSUFNRX-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485237711 1080083434 /nfs/dbraw/zinc/08/34/34/1080083434.db2.gz UKZBEODZSMCNHF-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCCCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272699307 1080165226 /nfs/dbraw/zinc/16/52/26/1080165226.db2.gz GOBHCFUYGSBPJE-GOSISDBHSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001268214796 1080200629 /nfs/dbraw/zinc/20/06/29/1080200629.db2.gz WVRNAYWVTPNIIH-DLBZAZTESA-N 2 0 307.482 2.025 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001268221498 1080205930 /nfs/dbraw/zinc/20/59/30/1080205930.db2.gz CTKZTKUSBANJCY-SJORKVTESA-N 2 0 307.482 2.003 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001485437655 1080207182 /nfs/dbraw/zinc/20/71/82/1080207182.db2.gz JKFXOVUDMNJGTP-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001485459639 1080227636 /nfs/dbraw/zinc/22/76/36/1080227636.db2.gz XIVRSWYUNKSHCM-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001481670319 1080280423 /nfs/dbraw/zinc/28/04/23/1080280423.db2.gz FPSVDAGNZAGNRQ-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481735682 1080407071 /nfs/dbraw/zinc/40/70/71/1080407071.db2.gz QGUJINRYICBSIY-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001272701369 1080444840 /nfs/dbraw/zinc/44/48/40/1080444840.db2.gz WANFPONRMOUNFH-NVXWUHKLSA-N 2 0 315.461 2.481 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001661142343 1080447524 /nfs/dbraw/zinc/44/75/24/1080447524.db2.gz JPSVIDAXAQTTGO-IAGOWNOFSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481781478 1080500844 /nfs/dbraw/zinc/50/08/44/1080500844.db2.gz DUEVZBSNORBLQZ-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661724450 1080512965 /nfs/dbraw/zinc/51/29/65/1080512965.db2.gz VNCVORBCIUHUMR-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036659 1080552046 /nfs/dbraw/zinc/55/20/46/1080552046.db2.gz OPGZDXXLUBWHKL-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268609908 1080887581 /nfs/dbraw/zinc/88/75/81/1080887581.db2.gz JVBMZUIKQLMVNV-PLNGDYQASA-N 2 0 313.873 2.121 20 30 DEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001664510819 1080919228 /nfs/dbraw/zinc/91/92/28/1080919228.db2.gz YSJYKEYBFPZVAC-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001664683469 1080940760 /nfs/dbraw/zinc/94/07/60/1080940760.db2.gz JMDVYQRMYSOSCU-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001664686634 1080942275 /nfs/dbraw/zinc/94/22/75/1080942275.db2.gz MKIKNFOZKOOZPY-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001664754422 1080955203 /nfs/dbraw/zinc/95/52/03/1080955203.db2.gz CBKINIWEDLQZJE-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001665928116 1081098370 /nfs/dbraw/zinc/09/83/70/1081098370.db2.gz CXDPBSHGCLJQMS-IRXDYDNUSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001666432837 1081152273 /nfs/dbraw/zinc/15/22/73/1081152273.db2.gz HMAAUTYOSGNPPB-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001269184308 1081155709 /nfs/dbraw/zinc/15/57/09/1081155709.db2.gz ZXAYOUKVIKTTAK-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001269187540 1081157907 /nfs/dbraw/zinc/15/79/07/1081157907.db2.gz SKHRUDPBOGUMIK-QZTJIDSGSA-N 2 0 315.461 2.446 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001482222071 1081258280 /nfs/dbraw/zinc/25/82/80/1081258280.db2.gz VMWXRKRGIUKQEP-UHFFFAOYSA-N 2 0 313.873 2.242 20 30 DEEDRP C=CCC[NH2+]C[C@]1(NC(=O)Cn2ccnc2)CCCC[C@@H]1C ZINC001269678223 1081330529 /nfs/dbraw/zinc/33/05/29/1081330529.db2.gz ZYAWCTUSZQLPMM-DOTOQJQBSA-N 2 0 304.438 2.114 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001269743205 1081354040 /nfs/dbraw/zinc/35/40/40/1081354040.db2.gz YSVCGZZVKCGWDW-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001493206130 1081361313 /nfs/dbraw/zinc/36/13/13/1081361313.db2.gz DVXBPYMFXZZPDO-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001668994907 1081416958 /nfs/dbraw/zinc/41/69/58/1081416958.db2.gz CUMKIFNLEIRDFT-LKGOPFMKSA-N 2 0 317.477 2.069 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001270024772 1081430241 /nfs/dbraw/zinc/43/02/41/1081430241.db2.gz JVVMDKXEVTYINX-TVFCKZIOSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001280163754 1081451099 /nfs/dbraw/zinc/45/10/99/1081451099.db2.gz KUEFRICRHUAWMP-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270249824 1081485909 /nfs/dbraw/zinc/48/59/09/1081485909.db2.gz LHZOTXKBUZTWBI-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CCCn2ccnc2)C1 ZINC001671698068 1081534363 /nfs/dbraw/zinc/53/43/63/1081534363.db2.gz AGVPLOUJJQGUOE-QGZVFWFLSA-N 2 0 304.438 2.210 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001671842784 1081542424 /nfs/dbraw/zinc/54/24/24/1081542424.db2.gz NRJBHQOBASUXRL-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)Cc2[nH]cnc2C)CC1 ZINC001671863141 1081544407 /nfs/dbraw/zinc/54/44/07/1081544407.db2.gz UMZLKULTEMBFKH-UHFFFAOYSA-N 2 0 304.438 2.055 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001672315324 1081582624 /nfs/dbraw/zinc/58/26/24/1081582624.db2.gz KENUHARKEBJPOA-CVEARBPZSA-N 2 0 309.498 2.225 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001673202034 1081745873 /nfs/dbraw/zinc/74/58/73/1081745873.db2.gz PUGHMGOBYQIJBT-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001673238416 1081749210 /nfs/dbraw/zinc/74/92/10/1081749210.db2.gz RFPYAVCIPIQJEX-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001673954001 1081817883 /nfs/dbraw/zinc/81/78/83/1081817883.db2.gz YIERWJULRYUCCY-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001270987006 1081867000 /nfs/dbraw/zinc/86/70/00/1081867000.db2.gz NMQINGLAGWZMFT-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001674506237 1081885185 /nfs/dbraw/zinc/88/51/85/1081885185.db2.gz WDRUFLYUHGITOR-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266363157 1082000610 /nfs/dbraw/zinc/00/06/10/1082000610.db2.gz FMUQNFRVXZCLQS-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001271717913 1082118239 /nfs/dbraw/zinc/11/82/39/1082118239.db2.gz YAYOTEAQWGSENJ-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001482495843 1082121090 /nfs/dbraw/zinc/12/10/90/1082121090.db2.gz SWHLRFKYIVKTST-DLBZAZTESA-N 2 0 321.509 2.204 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001271860499 1082174541 /nfs/dbraw/zinc/17/45/41/1082174541.db2.gz IFOXEZNNTHAYLR-KRWDZBQOSA-N 2 0 312.417 2.010 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567585 1083487098 /nfs/dbraw/zinc/48/70/98/1083487098.db2.gz ACIXJWBTWQWNNB-IEBWSBKVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107616130 1083523726 /nfs/dbraw/zinc/52/37/26/1083523726.db2.gz VBFCTWPPUHWGGF-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001276672478 1083543137 /nfs/dbraw/zinc/54/31/37/1083543137.db2.gz IQRSQZDQSOLJIJ-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646783 1083562889 /nfs/dbraw/zinc/56/28/89/1083562889.db2.gz WBAJPPDUNLUOHW-SJLPKXTDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276888131 1083665025 /nfs/dbraw/zinc/66/50/25/1083665025.db2.gz USVHZAIFKFQGCG-QAPCUYQASA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001277382312 1083935612 /nfs/dbraw/zinc/93/56/12/1083935612.db2.gz JWVGLXJDUBHWSG-GOSISDBHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339670 1083947393 /nfs/dbraw/zinc/94/73/93/1083947393.db2.gz JVWKKJZNCWFHAN-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491284280 1084208153 /nfs/dbraw/zinc/20/81/53/1084208153.db2.gz RPDUUUDTNQPKIX-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCN(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C(=O)OCC ZINC001235425474 1084426109 /nfs/dbraw/zinc/42/61/09/1084426109.db2.gz LHQGLVJNHZQJPV-SJORKVTESA-N 2 0 323.481 2.343 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888409 1084428188 /nfs/dbraw/zinc/42/81/88/1084428188.db2.gz XZOQVANBIDMWPS-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP N#CCCCC[N@@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001277952310 1084463475 /nfs/dbraw/zinc/46/34/75/1084463475.db2.gz XCMYDQKBSLAROH-SFHVURJKSA-N 2 0 315.465 2.365 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726792 1084832365 /nfs/dbraw/zinc/83/23/65/1084832365.db2.gz XZNRLONQDIGKKJ-CVEARBPZSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001486156126 1085097707 /nfs/dbraw/zinc/09/77/07/1085097707.db2.gz TWGXRKOLMNARKP-AEFFLSMTSA-N 2 0 305.466 2.162 20 30 DEEDRP C#CC[N@@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001486380684 1085255665 /nfs/dbraw/zinc/25/56/65/1085255665.db2.gz PWFXJGVYLKSAJJ-UHFFFAOYSA-N 2 0 315.461 2.164 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961181314 1085626420 /nfs/dbraw/zinc/62/64/20/1085626420.db2.gz JDAPGCMIWHGABT-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCNC(=O)[C@@H]1CC12CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001273039705 1086065545 /nfs/dbraw/zinc/06/55/45/1086065545.db2.gz SYPFPKBDSIEGOR-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357658 1086424414 /nfs/dbraw/zinc/42/44/14/1086424414.db2.gz KQTMVGUQGVLEQN-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000963825492 1086568205 /nfs/dbraw/zinc/56/82/05/1086568205.db2.gz PHNSCUGKJAMFAQ-WWDZGPRUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603054 1088449990 /nfs/dbraw/zinc/44/99/90/1088449990.db2.gz MNOAWIOWGGSEDQ-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000957771594 1088608785 /nfs/dbraw/zinc/60/87/85/1088608785.db2.gz CHMDLRJPAPXTLO-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832021 1088919200 /nfs/dbraw/zinc/91/92/00/1088919200.db2.gz JVKILWGHUUTAFI-IMBTUZDBSA-N 2 0 321.509 2.488 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]21 ZINC001084963263 1090547054 /nfs/dbraw/zinc/54/70/54/1090547054.db2.gz IMSOMTTZLPYRNL-ANQUJSFKSA-N 2 0 314.433 2.012 20 30 DEEDRP C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001274267988 1091158606 /nfs/dbraw/zinc/15/86/06/1091158606.db2.gz HRSBOFMSDXJAPF-MRXNPFEDSA-N 2 0 324.428 2.467 20 30 DEEDRP C#CCN1CCC2(CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274270389 1091158740 /nfs/dbraw/zinc/15/87/40/1091158740.db2.gz QXUKABDEEYXXQC-UHFFFAOYSA-N 2 0 322.412 2.011 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001274959507 1091493488 /nfs/dbraw/zinc/49/34/88/1091493488.db2.gz YJVPHMQLLCGVIL-OKZBNKHCSA-N 2 0 317.477 2.112 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001275150796 1091587359 /nfs/dbraw/zinc/58/73/59/1091587359.db2.gz NTLNZALYEIBQIA-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH+]1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000949475490 1092161358 /nfs/dbraw/zinc/16/13/58/1092161358.db2.gz VYFRPLWOGMLWNC-UHFFFAOYSA-N 2 0 315.461 2.125 20 30 DEEDRP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275912244 1092296812 /nfs/dbraw/zinc/29/68/12/1092296812.db2.gz KHKAYZASCKXCMS-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493163227 1093279094 /nfs/dbraw/zinc/27/90/94/1093279094.db2.gz UDRXZVDKGINXNZ-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC001691732242 1138216298 /nfs/dbraw/zinc/21/62/98/1138216298.db2.gz AZPWBUJURDPFKL-GOSISDBHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001691745902 1138293371 /nfs/dbraw/zinc/29/33/71/1138293371.db2.gz VZIDSBKCXOKOIO-MHORFTMASA-N 2 0 319.493 2.454 20 30 DEEDRP C[NH+]1CCN(c2cccc(C[NH+]3CCC(S)CC3)c2)CC1 ZINC001236890922 1138450446 /nfs/dbraw/zinc/45/04/46/1138450446.db2.gz SVITYRDIFYMRQQ-UHFFFAOYSA-N 2 0 305.491 2.333 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001281974662 1139831905 /nfs/dbraw/zinc/83/19/05/1139831905.db2.gz GKJPHYYOIJTEOG-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001319363203 1140556192 /nfs/dbraw/zinc/55/61/92/1140556192.db2.gz TWPOUNDWNWTWSS-UHFFFAOYSA-N 2 0 312.417 2.461 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001319378883 1140560180 /nfs/dbraw/zinc/56/01/80/1140560180.db2.gz IHYHODDIXCYPGT-DLBZAZTESA-N 2 0 317.477 2.045 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001319394159 1140561933 /nfs/dbraw/zinc/56/19/33/1140561933.db2.gz CGKCWWAMYIHVOR-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001319620388 1140626775 /nfs/dbraw/zinc/62/67/75/1140626775.db2.gz QEZHMUUOIOWBQS-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001319620054 1140626879 /nfs/dbraw/zinc/62/68/79/1140626879.db2.gz FFFWRGKBCPXDPV-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001319649030 1140638223 /nfs/dbraw/zinc/63/82/23/1140638223.db2.gz UPDOPMGUSWWPSQ-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001319661622 1140648147 /nfs/dbraw/zinc/64/81/47/1140648147.db2.gz DFFFNJZLWZSUFR-IRXDYDNUSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001319661621 1140648552 /nfs/dbraw/zinc/64/85/52/1140648552.db2.gz DFFFNJZLWZSUFR-IAGOWNOFSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001319693334 1140666849 /nfs/dbraw/zinc/66/68/49/1140666849.db2.gz BPQFVBIJBXWIGP-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319862452 1140777399 /nfs/dbraw/zinc/77/73/99/1140777399.db2.gz VHRMKSKJCZXLPM-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@]1(O)CCCC[NH2+]C1 ZINC001245977140 1140840702 /nfs/dbraw/zinc/84/07/02/1140840702.db2.gz VOJPFZZLAXMGOM-IAGOWNOFSA-N 2 0 300.487 2.192 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH+]1CCN(CC[NH3+])CC1 ZINC001246028319 1140850004 /nfs/dbraw/zinc/85/00/04/1140850004.db2.gz BETUJGXTIXRLFD-GOSISDBHSA-N 2 0 313.530 2.454 20 30 DEEDRP N#Cc1ccc(CN([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246441559 1140899565 /nfs/dbraw/zinc/89/95/65/1140899565.db2.gz IYRQADKZAAWPLE-GUDVDZBRSA-N 2 0 312.461 2.382 20 30 DEEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001320888870 1140972032 /nfs/dbraw/zinc/97/20/32/1140972032.db2.gz MROJPWTUABWHSI-SFHVURJKSA-N 2 0 315.461 2.141 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246730687 1141045958 /nfs/dbraw/zinc/04/59/58/1141045958.db2.gz AEHLSSKYPSUMFG-RYRKJORJSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321107987 1141054053 /nfs/dbraw/zinc/05/40/53/1141054053.db2.gz DAECNQPPWZMMNE-CGXNLCPXSA-N 2 0 311.857 2.018 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321107989 1141054473 /nfs/dbraw/zinc/05/44/73/1141054473.db2.gz DAECNQPPWZMMNE-RYIMYRPNSA-N 2 0 311.857 2.018 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001323638194 1141872795 /nfs/dbraw/zinc/87/27/95/1141872795.db2.gz PELLZBXXNGIPFP-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CC[NH+](CC1CC1)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001323736888 1141882447 /nfs/dbraw/zinc/88/24/47/1141882447.db2.gz XIGOJAVZVCFPIO-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001323873574 1141895297 /nfs/dbraw/zinc/89/52/97/1141895297.db2.gz POYOPIQVKSWQMN-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CCCC1 ZINC001324517703 1142093313 /nfs/dbraw/zinc/09/33/13/1142093313.db2.gz KYBDDEOVTIVQAD-GOSISDBHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC001278690358 1142836009 /nfs/dbraw/zinc/83/60/09/1142836009.db2.gz PSENXSLURHWZTK-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C[C@H](O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001253587578 1142882774 /nfs/dbraw/zinc/88/27/74/1142882774.db2.gz DLVRIWQQYDNKFJ-FHWLQOOXSA-N 2 0 300.446 2.377 20 30 DEEDRP C[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254635632 1143290305 /nfs/dbraw/zinc/29/03/05/1143290305.db2.gz HFZCWYBDOKLHLS-VQIMIIECSA-N 2 0 312.461 2.216 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001342545478 1143823102 /nfs/dbraw/zinc/82/31/02/1143823102.db2.gz VNVQWCXXJZBJHZ-AWEZNQCLSA-N 2 0 301.862 2.133 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001278907634 1143825861 /nfs/dbraw/zinc/82/58/61/1143825861.db2.gz HBNBCEQDBYSMLU-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001278963066 1143866500 /nfs/dbraw/zinc/86/65/00/1143866500.db2.gz WHLYRHWQKWFQOT-HZPDHXFCSA-N 2 0 307.482 2.003 20 30 DEEDRP CC[NH+](CC)CCCN1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256969475 1143877343 /nfs/dbraw/zinc/87/73/43/1143877343.db2.gz JTOUPQWWLWAFNO-UHFFFAOYSA-N 2 0 306.498 2.418 20 30 DEEDRP C=CCOCc1nn(C2CC[NH+](C(C)C)CC2)c2c1C[NH2+]C2 ZINC001257216015 1143893614 /nfs/dbraw/zinc/89/36/14/1143893614.db2.gz GDVLAIHPMLTCQD-UHFFFAOYSA-N 2 0 304.438 2.234 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001279005849 1143896443 /nfs/dbraw/zinc/89/64/43/1143896443.db2.gz GBTBGBPXMGQULS-UONOGXRCSA-N 2 0 321.490 2.436 20 30 DEEDRP C#CCCN1CCC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C1=O ZINC001258902485 1144052832 /nfs/dbraw/zinc/05/28/32/1144052832.db2.gz DDBQUAFIDONZFT-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC001263096199 1144355641 /nfs/dbraw/zinc/35/56/41/1144355641.db2.gz KEVWJDMRPFJYPW-CQSZACIVSA-N 2 0 305.422 2.379 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001264380956 1144520979 /nfs/dbraw/zinc/52/09/79/1144520979.db2.gz UITPFWMMZZPLMH-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001264396620 1144528117 /nfs/dbraw/zinc/52/81/17/1144528117.db2.gz IFQVPOILRLFFJB-IYBDPMFKSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001264424399 1144536425 /nfs/dbraw/zinc/53/64/25/1144536425.db2.gz GWBIWXAXSMWGLG-VQHPVUNQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264652191 1144585301 /nfs/dbraw/zinc/58/53/01/1144585301.db2.gz XLQXOGKAZBASDW-ZACQAIPSSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265619622 1144718688 /nfs/dbraw/zinc/71/86/88/1144718688.db2.gz QEOGHBAIBGYXAP-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265696630 1144730113 /nfs/dbraw/zinc/73/01/13/1144730113.db2.gz JGDULFMPUSUUAJ-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266010058 1144785250 /nfs/dbraw/zinc/78/52/50/1144785250.db2.gz CYNXQAHENURJHY-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266068941 1144802415 /nfs/dbraw/zinc/80/24/15/1144802415.db2.gz RWLSBINIAIYKME-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266116929 1144807291 /nfs/dbraw/zinc/80/72/91/1144807291.db2.gz OXABMKFHFMSOBZ-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001266198006 1144813198 /nfs/dbraw/zinc/81/31/98/1144813198.db2.gz VEZDGYSBHOSCPI-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001279228666 1144819530 /nfs/dbraw/zinc/81/95/30/1144819530.db2.gz BUIGCACPPIEEQW-YVSFHVDLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279567204 1144824815 /nfs/dbraw/zinc/82/48/15/1144824815.db2.gz WMLZZGJEIBRZHA-IXDOHACOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001316598857 1144828158 /nfs/dbraw/zinc/82/81/58/1144828158.db2.gz KDFGYAIQGHKHJX-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001280051395 1144831388 /nfs/dbraw/zinc/83/13/88/1144831388.db2.gz JSGMRFYBWAVHAN-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001280340760 1144835996 /nfs/dbraw/zinc/83/59/96/1144835996.db2.gz ROGAADVRADKLPW-UHFFFAOYSA-N 2 0 315.461 2.407 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001280761701 1144853853 /nfs/dbraw/zinc/85/38/53/1144853853.db2.gz ZNQUQILJJVCSDU-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001282161062 1145003037 /nfs/dbraw/zinc/00/30/37/1145003037.db2.gz ODFFHIKEPGZTJA-CHWSQXEVSA-N 2 0 300.406 2.315 20 30 DEEDRP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001282310435 1145032480 /nfs/dbraw/zinc/03/24/80/1145032480.db2.gz NQMNRTOJMYRWGI-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001283883858 1145688389 /nfs/dbraw/zinc/68/83/89/1145688389.db2.gz FIJIMNHDIGNUHG-RHSMWYFYSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001284604533 1145878057 /nfs/dbraw/zinc/87/80/57/1145878057.db2.gz QNRJHMYKMRTOGP-CVEARBPZSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491809130 1146927214 /nfs/dbraw/zinc/92/72/14/1146927214.db2.gz RSYXWNFOTBXVIK-AWEZNQCLSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491808791 1146928103 /nfs/dbraw/zinc/92/81/03/1146928103.db2.gz OREAJJQKOHTYSK-ZDUSSCGKSA-N 2 0 307.463 2.047 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001366288163 1147193953 /nfs/dbraw/zinc/19/39/53/1147193953.db2.gz OODVVXUQNYEIIE-DZGCQCFKSA-N 2 0 313.873 2.240 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001317193753 1147219371 /nfs/dbraw/zinc/21/93/71/1147219371.db2.gz UVDUDPUOIWSZDG-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCOc1cccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)c1 ZINC001308198965 1147455168 /nfs/dbraw/zinc/45/51/68/1147455168.db2.gz FXGRRXRHZRXOBN-QGZVFWFLSA-N 2 0 317.477 2.367 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1CC ZINC001316741836 1147593390 /nfs/dbraw/zinc/59/33/90/1147593390.db2.gz FGMUDXFFQNQUCP-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001316809403 1147603957 /nfs/dbraw/zinc/60/39/57/1147603957.db2.gz BRWPWCSDFMCHIA-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001316935661 1147634664 /nfs/dbraw/zinc/63/46/64/1147634664.db2.gz NTDVAMHJWRJHJK-KRWDZBQOSA-N 2 0 309.498 2.462 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001317022980 1147649175 /nfs/dbraw/zinc/64/91/75/1147649175.db2.gz WGIPIXBJGSIJES-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317045501 1147652483 /nfs/dbraw/zinc/65/24/83/1147652483.db2.gz QXWGCWLTBLULRD-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317436462 1147708099 /nfs/dbraw/zinc/70/80/99/1147708099.db2.gz RMJNJFOURLMNKA-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317526394 1147720301 /nfs/dbraw/zinc/72/03/01/1147720301.db2.gz JERMEHZSEWGJLS-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001317685179 1147743752 /nfs/dbraw/zinc/74/37/52/1147743752.db2.gz FYADOOGLCHEAIP-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317862094 1147758838 /nfs/dbraw/zinc/75/88/38/1147758838.db2.gz GMCLROWOVRZVQC-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001317869421 1147759387 /nfs/dbraw/zinc/75/93/87/1147759387.db2.gz CAHUZDMRXBDKHX-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001318129365 1147780024 /nfs/dbraw/zinc/78/00/24/1147780024.db2.gz OJKJMZKCDCVOMF-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001318159116 1147786093 /nfs/dbraw/zinc/78/60/93/1147786093.db2.gz LLKGZWMYYLMESV-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001325466615 1147919828 /nfs/dbraw/zinc/91/98/28/1147919828.db2.gz MOUHAHOXLNEYAP-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001325466616 1147919978 /nfs/dbraw/zinc/91/99/78/1147919978.db2.gz MOUHAHOXLNEYAP-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001368098288 1148220408 /nfs/dbraw/zinc/22/04/08/1148220408.db2.gz JLWMBIIYWZPOPG-CABCVRRESA-N 2 0 313.873 2.192 20 30 DEEDRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278639325 214295532 /nfs/dbraw/zinc/29/55/32/214295532.db2.gz HKHHXJIJMQKKKR-QAPCUYQASA-N 2 0 300.450 2.235 20 30 DEEDRP C[NH+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181392701 199289846 /nfs/dbraw/zinc/28/98/46/199289846.db2.gz GAGADUIIINLJJS-UHFFFAOYSA-N 2 0 300.450 2.064 20 30 DEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181691978 199338970 /nfs/dbraw/zinc/33/89/70/199338970.db2.gz LJFGRYSBLZXFKN-IAGOWNOFSA-N 2 0 314.477 2.482 20 30 DEEDRP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000181689838 199339501 /nfs/dbraw/zinc/33/95/01/199339501.db2.gz JFINPSREWZEADB-CVEARBPZSA-N 2 0 300.450 2.092 20 30 DEEDRP N#CC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620392 358504390 /nfs/dbraw/zinc/50/43/90/358504390.db2.gz NBECQWXKIXTPJG-ROUUACIJSA-N 2 0 318.465 2.254 20 30 DEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000353388040 283198163 /nfs/dbraw/zinc/19/81/63/283198163.db2.gz POBSHVTWCVEIIT-IEBWSBKVSA-N 2 0 313.445 2.372 20 30 DEEDRP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000591570733 357737036 /nfs/dbraw/zinc/73/70/36/357737036.db2.gz HPGIGOQEZNJLJU-WMLDXEAASA-N 2 0 313.449 2.042 20 30 DEEDRP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000591570734 357737151 /nfs/dbraw/zinc/73/71/51/357737151.db2.gz HPGIGOQEZNJLJU-YOEHRIQHSA-N 2 0 313.449 2.042 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+]C3CCC([NH3+])CC3)CC2)c1 ZINC000593320380 358053555 /nfs/dbraw/zinc/05/35/55/358053555.db2.gz HIYQODPJFDDYRL-UHFFFAOYSA-N 2 0 312.461 2.382 20 30 DEEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180060185 199112659 /nfs/dbraw/zinc/11/26/59/199112659.db2.gz ZZLDXSYMOSVZOY-MRXNPFEDSA-N 2 0 323.444 2.390 20 30 DEEDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000187678252 200143180 /nfs/dbraw/zinc/14/31/80/200143180.db2.gz VOBSICUXFPAQJU-QFBILLFUSA-N 2 0 312.461 2.331 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602588001 360446663 /nfs/dbraw/zinc/44/66/63/360446663.db2.gz KZKSYJGUMLQPSR-HOTGVXAUSA-N 2 0 311.470 2.032 20 30 DEEDRP CN1CC[NH+](CC2(C)CC[NH+](CC3(CC#N)CC3)CC2)CC1 ZINC000602810998 360567392 /nfs/dbraw/zinc/56/73/92/360567392.db2.gz VKRFYRKPCHQAIV-UHFFFAOYSA-N 2 0 304.482 2.030 20 30 DEEDRP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110012 360704774 /nfs/dbraw/zinc/70/47/74/360704774.db2.gz JEQBSGNLFKOKBB-MRXNPFEDSA-N 2 0 320.481 2.135 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001422439605 1172592372 /nfs/dbraw/zinc/59/23/72/1172592372.db2.gz KKNZVMLXUJTMCG-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120259619 195128813 /nfs/dbraw/zinc/12/88/13/195128813.db2.gz HUNCPHJFLCNDRS-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000346182839 146032703 /nfs/dbraw/zinc/03/27/03/146032703.db2.gz JOCYVQSPUSAIRV-AWEZNQCLSA-N 2 0 318.440 2.374 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C#N)cc2)ccn1 ZINC000136235612 401963940 /nfs/dbraw/zinc/96/39/40/401963940.db2.gz VYAOOTVTRHYZKH-UHFFFAOYSA-N 2 0 310.401 2.183 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1ccc(OC)cc1 ZINC000104176829 402199758 /nfs/dbraw/zinc/19/97/58/402199758.db2.gz JSJJKDCOGUQUNH-INIZCTEOSA-N 2 0 318.465 2.016 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000106275428 402212725 /nfs/dbraw/zinc/21/27/25/402212725.db2.gz QQZMKRQWXAXCRX-UHFFFAOYSA-N 2 0 322.497 2.010 20 30 DEEDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3C)C2)CC1 ZINC000186223820 402412759 /nfs/dbraw/zinc/41/27/59/402412759.db2.gz ZOQQRCZMRGQZOL-IBGZPJMESA-N 2 0 312.461 2.079 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC(C)C ZINC000170910896 402540511 /nfs/dbraw/zinc/54/05/11/402540511.db2.gz WXWSMFWAOSKYBT-INIZCTEOSA-N 2 0 318.465 2.362 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)N1 ZINC000262635719 402728613 /nfs/dbraw/zinc/72/86/13/402728613.db2.gz GTAYNNCRUPKYRE-LSDHHAIUSA-N 2 0 300.450 2.356 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280489976 403005318 /nfs/dbraw/zinc/00/53/18/403005318.db2.gz BKZQHPWUEARQQL-BRWVUGGUSA-N 2 0 300.450 2.321 20 30 DEEDRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339039951 403332147 /nfs/dbraw/zinc/33/21/47/403332147.db2.gz CUPKLJDLNUBBQS-FUHWJXTLSA-N 2 0 304.482 2.169 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000345747056 403467122 /nfs/dbraw/zinc/46/71/22/403467122.db2.gz AZCDUQLDJQCICF-CVEARBPZSA-N 2 0 322.497 2.151 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000361768053 403853658 /nfs/dbraw/zinc/85/36/58/403853658.db2.gz YEQKLRWTRKHEKQ-NVXWUHKLSA-N 2 0 322.497 2.151 20 30 DEEDRP C=CCOCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000348047938 404022255 /nfs/dbraw/zinc/02/22/55/404022255.db2.gz LWQGGYRAOGDSSJ-IRXDYDNUSA-N 2 0 310.482 2.400 20 30 DEEDRP C[C@@H](NC(=O)CCc1ncc[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000329283946 404289006 /nfs/dbraw/zinc/28/90/06/404289006.db2.gz NRZCGQRAMCFUKX-CQSZACIVSA-N 2 0 320.437 2.332 20 30 DEEDRP C=CCC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000356064720 404389644 /nfs/dbraw/zinc/38/96/44/404389644.db2.gz IPUWEGQSTHGYHQ-HOTGVXAUSA-N 2 0 319.449 2.464 20 30 DEEDRP CNC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329758036 404441546 /nfs/dbraw/zinc/44/15/46/404441546.db2.gz NIVKEGFBWKZEOD-AWEZNQCLSA-N 2 0 313.405 2.374 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358243814 404757450 /nfs/dbraw/zinc/75/74/50/404757450.db2.gz YUNBBASFZKQJSV-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000358790756 404775482 /nfs/dbraw/zinc/77/54/82/404775482.db2.gz ZFROVFNFDJTXLF-MRXNPFEDSA-N 2 0 322.497 2.058 20 30 DEEDRP C=CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494562829 405719052 /nfs/dbraw/zinc/71/90/52/405719052.db2.gz RKDOXYGGDSLIQR-UHFFFAOYSA-N 2 0 315.461 2.133 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457540229 405889736 /nfs/dbraw/zinc/88/97/36/405889736.db2.gz IWKRFDRGMZMFJK-UHFFFAOYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635531594 406577319 /nfs/dbraw/zinc/57/73/19/406577319.db2.gz USZLRNSEUWSBRQ-KRWDZBQOSA-N 2 0 305.466 2.160 20 30 DEEDRP C[C@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370699759 227057879 /nfs/dbraw/zinc/05/78/79/227057879.db2.gz MGEGHMDWSSMAAX-IRXDYDNUSA-N 2 0 306.498 2.274 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001479910606 1151166756 /nfs/dbraw/zinc/16/67/56/1151166756.db2.gz DPRNYXYVRHEXAR-CVEARBPZSA-N 2 0 304.438 2.381 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000653110660 425407865 /nfs/dbraw/zinc/40/78/65/425407865.db2.gz PZMRQDIWECJCIR-DLBZAZTESA-N 2 0 307.482 2.191 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCC[NH2+]1 ZINC000662678863 425710368 /nfs/dbraw/zinc/71/03/68/425710368.db2.gz JBIJJQWIDFNHDQ-ZBFHGGJFSA-N 2 0 307.463 2.165 20 30 DEEDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1(C)C ZINC000353631830 277106579 /nfs/dbraw/zinc/10/65/79/277106579.db2.gz JHOIIIQFDKODHO-SFHVURJKSA-N 2 0 312.461 2.161 20 30 DEEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000423040663 279254791 /nfs/dbraw/zinc/25/47/91/279254791.db2.gz HTQJDTYVHQUKGQ-RHSMWYFYSA-N 2 0 314.433 2.161 20 30 DEEDRP COc1ccccc1[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCC1 ZINC000262260269 295400792 /nfs/dbraw/zinc/40/07/92/295400792.db2.gz JIRHCSHFLGUORB-INIZCTEOSA-N 2 0 318.465 2.311 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001329761028 1148989558 /nfs/dbraw/zinc/98/95/58/1148989558.db2.gz KFRGDOKNKIYMHQ-QGZVFWFLSA-N 2 0 323.525 2.450 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000236669199 337464232 /nfs/dbraw/zinc/46/42/32/337464232.db2.gz ZJCWNDAESHKONM-FUHWJXTLSA-N 2 0 307.482 2.191 20 30 DEEDRP C#CCC[N@H+](CC)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001492984024 1152197028 /nfs/dbraw/zinc/19/70/28/1152197028.db2.gz QXUKFWDHWVNHCX-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001329862281 1149005228 /nfs/dbraw/zinc/00/52/28/1149005228.db2.gz ZIZPEPDDGZQGPD-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001327475348 1148563907 /nfs/dbraw/zinc/56/39/07/1148563907.db2.gz VCSXLSLUNUBNII-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP CNC(NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)=[NH+]C ZINC000262040684 526343911 /nfs/dbraw/zinc/34/39/11/526343911.db2.gz RWONCXRVOWGJTH-FZMZJTMJSA-N 2 0 312.820 2.267 20 30 DEEDRP CN/C(=[NH+]/C)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262011420 526344239 /nfs/dbraw/zinc/34/42/39/526344239.db2.gz WQSOWQUWOJFRSV-SJORKVTESA-N 2 0 300.450 2.178 20 30 DEEDRP C[NH+]=C(NCc1nc(C)c(C)s1)NC1CC[NH+](C(C)C)CC1 ZINC000262455624 526389078 /nfs/dbraw/zinc/38/90/78/526389078.db2.gz TZDGGJMZTOCDLW-UHFFFAOYSA-N 2 0 323.510 2.298 20 30 DEEDRP C[NH+]=C(NCc1scnc1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262423341 526393307 /nfs/dbraw/zinc/39/33/07/526393307.db2.gz BTXSKHFBTHBEQT-CQSZACIVSA-N 2 0 321.494 2.087 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000358790754 526434197 /nfs/dbraw/zinc/43/41/97/526434197.db2.gz ZFROVFNFDJTXLF-INIZCTEOSA-N 2 0 322.497 2.058 20 30 DEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423100201 526888852 /nfs/dbraw/zinc/88/88/52/526888852.db2.gz GPRUOYULHDZVSP-GBESFXJTSA-N 2 0 316.445 2.498 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1cccc(CC)c1 ZINC000267846280 527713461 /nfs/dbraw/zinc/71/34/61/527713461.db2.gz JZHJWRNTRBPKFY-INIZCTEOSA-N 2 0 306.454 2.332 20 30 DEEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](CC)C1)N1CCSC(C)(C)C1 ZINC000261805519 528814467 /nfs/dbraw/zinc/81/44/67/528814467.db2.gz HGUHIGDTYYFDDA-CQSZACIVSA-N 2 0 312.527 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]12 ZINC001026368435 625367202 /nfs/dbraw/zinc/36/72/02/625367202.db2.gz PRFREXJHRHVQKL-FGTMMUONSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001026591072 625548204 /nfs/dbraw/zinc/54/82/04/625548204.db2.gz OEEFCYCMWXUUAJ-DAWZGUTISA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000969156496 622596456 /nfs/dbraw/zinc/59/64/56/622596456.db2.gz UJJGIYJZRGQLNY-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000970169492 623270573 /nfs/dbraw/zinc/27/05/73/623270573.db2.gz SDVBNFYHOOSPOY-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000970224226 623345430 /nfs/dbraw/zinc/34/54/30/623345430.db2.gz UGBJODDVZQXLCL-OAHLLOKOSA-N 2 0 324.428 2.499 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970270157 623370311 /nfs/dbraw/zinc/37/03/11/623370311.db2.gz JZIBGFKWQIYGQF-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605249 623821963 /nfs/dbraw/zinc/82/19/63/623821963.db2.gz LXDSXVIIONAWCT-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436722 624038170 /nfs/dbraw/zinc/03/81/70/624038170.db2.gz MBRFCZJAIXZVLD-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027650675 634388337 /nfs/dbraw/zinc/38/83/37/634388337.db2.gz CXCHNVVVEYKSCS-OAHLLOKOSA-N 2 0 316.449 2.260 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737668 625025332 /nfs/dbraw/zinc/02/53/32/625025332.db2.gz LIAAQKIGBSXPMO-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]12 ZINC001026297586 625273026 /nfs/dbraw/zinc/27/30/26/625273026.db2.gz FTCAUFRMPCQNPJ-ZTFGCOKTSA-N 2 0 324.428 2.269 20 30 DEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027695455 634450787 /nfs/dbraw/zinc/45/07/87/634450787.db2.gz VRNTZVHKHLIQRK-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468094 625794489 /nfs/dbraw/zinc/79/44/89/625794489.db2.gz IFPGOLUJEMSDPP-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001024479230 625804792 /nfs/dbraw/zinc/80/47/92/625804792.db2.gz CPQCXLKZMQZMAQ-JKSUJKDBSA-N 2 0 316.449 2.307 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534998 625850632 /nfs/dbraw/zinc/85/06/32/625850632.db2.gz OEBGJFHFNUKFBP-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000999276453 634544572 /nfs/dbraw/zinc/54/45/72/634544572.db2.gz WZHBLGFWJDTXDD-AWEZNQCLSA-N 2 0 307.463 2.190 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000999350875 634569738 /nfs/dbraw/zinc/56/97/38/634569738.db2.gz BYCJKUSOHZAPJS-NVXWUHKLSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000107615 634747655 /nfs/dbraw/zinc/74/76/55/634747655.db2.gz ZLCOTPIRADJLNO-MRXNPFEDSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C ZINC000996042798 633174636 /nfs/dbraw/zinc/17/46/36/633174636.db2.gz MTUMTIKQEPRVHP-MRXNPFEDSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974654091 633211987 /nfs/dbraw/zinc/21/19/87/633211987.db2.gz GZBZYXPMLFIIGF-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974901103 633359320 /nfs/dbraw/zinc/35/93/20/633359320.db2.gz PGUXDGWUPTWGJU-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970689 633525445 /nfs/dbraw/zinc/52/54/45/633525445.db2.gz QPTULGZWMDDIPA-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997059309 633565605 /nfs/dbraw/zinc/56/56/05/633565605.db2.gz ZBVMONIBXCPKGR-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997614015 633901116 /nfs/dbraw/zinc/90/11/16/633901116.db2.gz OHIPRHBISOGUIX-FUHWJXTLSA-N 2 0 321.509 2.367 20 30 DEEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104178856 634265174 /nfs/dbraw/zinc/26/51/74/634265174.db2.gz PGJYBUSEDHSFPI-GASCZTMLSA-N 2 0 312.502 2.074 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027981371 635154662 /nfs/dbraw/zinc/15/46/62/635154662.db2.gz ABCSIPGLRPAZTH-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001028054261 635384585 /nfs/dbraw/zinc/38/45/85/635384585.db2.gz VBHIDDCQGPNVSE-GOSISDBHSA-N 2 0 322.412 2.090 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981311799 635431265 /nfs/dbraw/zinc/43/12/65/635431265.db2.gz PEKNPPUVYBGCID-LSDHHAIUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001245098 635440328 /nfs/dbraw/zinc/44/03/28/635440328.db2.gz MCHIRNUNQMXOCB-QZTJIDSGSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028088488 635458326 /nfs/dbraw/zinc/45/83/26/635458326.db2.gz JQKVZUFLVWFIPW-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028088487 635458798 /nfs/dbraw/zinc/45/87/98/635458798.db2.gz JQKVZUFLVWFIPW-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001392464 635475865 /nfs/dbraw/zinc/47/58/65/635475865.db2.gz KSAUKNSPSAJEQH-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000981461102 635491246 /nfs/dbraw/zinc/49/12/46/635491246.db2.gz ANKGAAZFRBDHML-CABCVRRESA-N 2 0 316.449 2.354 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001001521961 635520978 /nfs/dbraw/zinc/52/09/78/635520978.db2.gz LAMLUOQZKGQUJY-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981764714 635633766 /nfs/dbraw/zinc/63/37/66/635633766.db2.gz AAVACIXFGBVHAC-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982160967 635893590 /nfs/dbraw/zinc/89/35/90/635893590.db2.gz IASPTOLTNXDBQU-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003842419 636063784 /nfs/dbraw/zinc/06/37/84/636063784.db2.gz YCXNFZFIEJXIQS-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595836 636497288 /nfs/dbraw/zinc/49/72/88/636497288.db2.gz JKOZHGLEZSPULO-SJLPKXTDSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004618357 636503565 /nfs/dbraw/zinc/50/35/65/636503565.db2.gz VWLWNDRASNNFKS-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919042 636851133 /nfs/dbraw/zinc/85/11/33/636851133.db2.gz PVJKNNVJHRKGCX-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(NCC2CCSCC2)=[NH+]C)CC1 ZINC000086902004 636984457 /nfs/dbraw/zinc/98/44/57/636984457.db2.gz LMARHLKPJOKHIO-UHFFFAOYSA-N 2 0 324.538 2.335 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001006092343 637193262 /nfs/dbraw/zinc/19/32/62/637193262.db2.gz SUDLUFMMIVQCLY-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487091 637201690 /nfs/dbraw/zinc/20/16/90/637201690.db2.gz WSMUAZYVZADKST-LSDHHAIUSA-N 2 0 321.490 2.322 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000985429269 639395312 /nfs/dbraw/zinc/39/53/12/639395312.db2.gz NZEBDBFJVMOSSI-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000987553393 640219369 /nfs/dbraw/zinc/21/93/69/640219369.db2.gz UORVBRRPQMITOX-RHSMWYFYSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000764565893 640655453 /nfs/dbraw/zinc/65/54/53/640655453.db2.gz OJVZUGOTJWYZHA-KRWDZBQOSA-N 2 0 315.461 2.227 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000764614153 640663476 /nfs/dbraw/zinc/66/34/76/640663476.db2.gz TVJHOLTZFABUEA-FUHWJXTLSA-N 2 0 315.461 2.274 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989449012 640992059 /nfs/dbraw/zinc/99/20/59/640992059.db2.gz BLHMLDUKNMORQF-YJBOKZPZSA-N 2 0 315.461 2.169 20 30 DEEDRP C#CCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738465 641215879 /nfs/dbraw/zinc/21/58/79/641215879.db2.gz BOGUTNXEONXVTH-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000900473860 642388036 /nfs/dbraw/zinc/38/80/36/642388036.db2.gz KHDKIECZYVGLJJ-UHFFFAOYSA-N 2 0 303.450 2.215 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477387 650749557 /nfs/dbraw/zinc/74/95/57/650749557.db2.gz SZBCTWNBZFASNF-DLBZAZTESA-N 2 0 322.497 2.177 20 30 DEEDRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902796947 643148349 /nfs/dbraw/zinc/14/83/49/643148349.db2.gz XAZQXVDFZLDWFQ-MAUKXSAKSA-N 2 0 300.450 2.235 20 30 DEEDRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902794726 643148509 /nfs/dbraw/zinc/14/85/09/643148509.db2.gz YPHRVVAMFRRRQI-CRAIPNDOSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]1 ZINC000903988824 643541241 /nfs/dbraw/zinc/54/12/41/643541241.db2.gz XYNQMFUSZCMNDQ-BFYDXBDKSA-N 2 0 313.449 2.218 20 30 DEEDRP C=CCN1CCC([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905095029 643798825 /nfs/dbraw/zinc/79/88/25/643798825.db2.gz HIXFENZVQDSUPL-MOPGFXCFSA-N 2 0 318.461 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169358 646882832 /nfs/dbraw/zinc/88/28/32/646882832.db2.gz QPADAFCNQRKGKE-QAPCUYQASA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185646 646892772 /nfs/dbraw/zinc/89/27/72/646892772.db2.gz CGKZYVMQGXOLRC-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC000992734804 647202529 /nfs/dbraw/zinc/20/25/29/647202529.db2.gz BJJFCJKHTDZHCC-KBAYOESNSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993481730 647684194 /nfs/dbraw/zinc/68/41/94/647684194.db2.gz SGOOCACYGKVEQE-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993805955 647747235 /nfs/dbraw/zinc/74/72/35/647747235.db2.gz NTQVHQZRTAYNAF-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994119864 647788893 /nfs/dbraw/zinc/78/88/93/647788893.db2.gz GGCSUYOLVHAEDX-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994119865 647788907 /nfs/dbraw/zinc/78/89/07/647788907.db2.gz GGCSUYOLVHAEDX-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cnccc2N(C)C)[C@H]1C ZINC000994273245 647891945 /nfs/dbraw/zinc/89/19/45/647891945.db2.gz ZDROFMUPQBLGDV-ZBFHGGJFSA-N 2 0 316.449 2.306 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC)[C@H]2C)CC1 ZINC000994491907 647970002 /nfs/dbraw/zinc/97/00/02/647970002.db2.gz AMQALEATFFVNDS-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624477 648908214 /nfs/dbraw/zinc/90/82/14/648908214.db2.gz HYSRXANWKCBPTO-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076268 648994834 /nfs/dbraw/zinc/99/48/34/648994834.db2.gz VBLJMIMLYCHWKQ-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941164853 649011406 /nfs/dbraw/zinc/01/14/06/649011406.db2.gz XZGZOHXKPDOKLH-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941236959 649028308 /nfs/dbraw/zinc/02/83/08/649028308.db2.gz DLFAPPQAFPOEQT-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942206469 649184750 /nfs/dbraw/zinc/18/47/50/649184750.db2.gz ZWTNDAGFNLSCED-KSSFIOAISA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942301539 649200731 /nfs/dbraw/zinc/20/07/31/649200731.db2.gz GWBWXSRUIGGCMP-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(C)c1 ZINC000304792562 685262216 /nfs/dbraw/zinc/26/22/16/685262216.db2.gz LCKWDTWOJWNUNG-HOTGVXAUSA-N 2 0 318.465 2.151 20 30 DEEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000305039044 685265624 /nfs/dbraw/zinc/26/56/24/685265624.db2.gz UPDFGTTVVVSWGM-KRWDZBQOSA-N 2 0 302.466 2.111 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@H](CC)C2)C1 ZINC000124177700 684132740 /nfs/dbraw/zinc/13/27/40/684132740.db2.gz HTSDWNLSPFJHHN-HUUCEWRRSA-N 2 0 312.527 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054141555 693860607 /nfs/dbraw/zinc/86/06/07/693860607.db2.gz MGYLTLBJXZLASV-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143950 693860628 /nfs/dbraw/zinc/86/06/28/693860628.db2.gz MSRJETIHSBNMOV-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054228559 693890998 /nfs/dbraw/zinc/89/09/98/693890998.db2.gz SWKXYUFTHNSBRB-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054238933 693895058 /nfs/dbraw/zinc/89/50/58/693895058.db2.gz BZMUJWNQBXYFJW-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054245495 693898150 /nfs/dbraw/zinc/89/81/50/693898150.db2.gz UFFCCLLPDIAFFI-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCn1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)nn1 ZINC000865717128 687311443 /nfs/dbraw/zinc/31/14/43/687311443.db2.gz PSSKIBJDFRGHBY-UHFFFAOYSA-N 2 0 305.470 2.454 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796657 687425214 /nfs/dbraw/zinc/42/52/14/687425214.db2.gz ZGCDGJGOBLLKTD-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015797057 687425319 /nfs/dbraw/zinc/42/53/19/687425319.db2.gz WJEOPALBWUVIDS-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C[NH2+]CCC1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866661202 687643929 /nfs/dbraw/zinc/64/39/29/687643929.db2.gz PZPQTISZXQLPSX-QGZVFWFLSA-N 2 0 315.417 2.094 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016618218 687666044 /nfs/dbraw/zinc/66/60/44/687666044.db2.gz QUBVPJIYPULHBN-JKSUJKDBSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761544 687697834 /nfs/dbraw/zinc/69/78/34/687697834.db2.gz MPVSCYQJWFUVQJ-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029000783 688547911 /nfs/dbraw/zinc/54/79/11/688547911.db2.gz JMQNXIYTDMEUBZ-INIZCTEOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001032118039 689066270 /nfs/dbraw/zinc/06/62/70/689066270.db2.gz QEKOHWONAHFEML-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032493339 689166243 /nfs/dbraw/zinc/16/62/43/689166243.db2.gz QRVAUOYZSLVMCH-BZSNNMDCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470629 689513812 /nfs/dbraw/zinc/51/38/12/689513812.db2.gz BRKLBMWWDWXZBZ-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033686166 689583242 /nfs/dbraw/zinc/58/32/42/689583242.db2.gz SUSNRBTUNYVUAY-KRWDZBQOSA-N 2 0 301.434 2.081 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856720 689640958 /nfs/dbraw/zinc/64/09/58/689640958.db2.gz VYNAYYOAMGYKDU-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034006314 689689874 /nfs/dbraw/zinc/68/98/74/689689874.db2.gz ZTYAACCBQFOFPL-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210728 689764911 /nfs/dbraw/zinc/76/49/11/689764911.db2.gz JDRBZLMEOPVWNV-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034464431 689859672 /nfs/dbraw/zinc/85/96/72/689859672.db2.gz YIAIWYQBZYMXLF-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000876714103 689912256 /nfs/dbraw/zinc/91/22/56/689912256.db2.gz WQAIQSHPWCRWOG-ZDUSSCGKSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876728710 689918362 /nfs/dbraw/zinc/91/83/62/689918362.db2.gz SYGSMSOGQVWUDY-HOTGVXAUSA-N 2 0 321.852 2.237 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034662884 689922416 /nfs/dbraw/zinc/92/24/16/689922416.db2.gz MWDKNQAUVCEDHS-BQFCYCMXSA-N 2 0 317.477 2.044 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000876763172 689929687 /nfs/dbraw/zinc/92/96/87/689929687.db2.gz IOMISWWRTXLYKX-ZFWWWQNUSA-N 2 0 309.841 2.093 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000876766033 689930392 /nfs/dbraw/zinc/93/03/92/689930392.db2.gz ZODAGKOPZUNXFH-ZALBZXLWSA-N 2 0 313.873 2.179 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000876769664 689931683 /nfs/dbraw/zinc/93/16/83/689931683.db2.gz XGLYBJXVVKRWCA-HZPDHXFCSA-N 2 0 321.852 2.237 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035226703 690065533 /nfs/dbraw/zinc/06/55/33/690065533.db2.gz KOQUOWLBCKCLTL-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035732578 690163636 /nfs/dbraw/zinc/16/36/36/690163636.db2.gz DZDJDWVYFUWQHA-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001036094531 690258584 /nfs/dbraw/zinc/25/85/84/690258584.db2.gz QCHXIUKHMRZWMV-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001036220158 690294491 /nfs/dbraw/zinc/29/44/91/690294491.db2.gz VFCFZSYKNAXHSC-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755299 690460270 /nfs/dbraw/zinc/46/02/70/690460270.db2.gz UEJPCLLRLOGEIJ-CRAIPNDOSA-N 2 0 324.428 2.365 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794617 690476526 /nfs/dbraw/zinc/47/65/26/690476526.db2.gz YDONOKGFCMMHTI-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001037863344 690626531 /nfs/dbraw/zinc/62/65/31/690626531.db2.gz XUHHGXADARLEHO-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038343275 690788826 /nfs/dbraw/zinc/78/88/26/690788826.db2.gz YOIYEDDKBLVAGI-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001039288618 691075638 /nfs/dbraw/zinc/07/56/38/691075638.db2.gz CDFVCGBYVONUBK-ZXFUBFMLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001039474252 691115011 /nfs/dbraw/zinc/11/50/11/691115011.db2.gz YUCGHAWSKLQUHJ-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040241537 691219578 /nfs/dbraw/zinc/21/95/78/691219578.db2.gz OWKBRWLNCKSQQW-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040296300 691226660 /nfs/dbraw/zinc/22/66/60/691226660.db2.gz NHZWNDNKLGJLBN-IBGZPJMESA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395892 691242160 /nfs/dbraw/zinc/24/21/60/691242160.db2.gz RCFWFNRYSRUTHN-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040723848 691282478 /nfs/dbraw/zinc/28/24/78/691282478.db2.gz MZEFXHOBIBZBFM-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041403271 691371738 /nfs/dbraw/zinc/37/17/38/691371738.db2.gz OFHOHJKSVQOSKG-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598758 691399115 /nfs/dbraw/zinc/39/91/15/691399115.db2.gz CCPKVAGPIOYPMT-JENIJYKNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883169823 691447228 /nfs/dbraw/zinc/44/72/28/691447228.db2.gz FAQNEOQUTCQWPC-OTWHNJEPSA-N 2 0 323.525 2.362 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000883186596 691452245 /nfs/dbraw/zinc/45/22/45/691452245.db2.gz VHZSQMIKDHNJIB-FHWLQOOXSA-N 2 0 323.525 2.363 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000883194673 691454205 /nfs/dbraw/zinc/45/42/05/691454205.db2.gz AKWGDPKUWDBVEK-MSOLQXFVSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042157594 691525104 /nfs/dbraw/zinc/52/51/04/691525104.db2.gz SIRZHXMQWKHEJL-WMLDXEAASA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042369417 691584193 /nfs/dbraw/zinc/58/41/93/691584193.db2.gz XTXSTBWXEPANFS-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001044183128 691784776 /nfs/dbraw/zinc/78/47/76/691784776.db2.gz NJWWBJHZORKAHA-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044741687 691880908 /nfs/dbraw/zinc/88/09/08/691880908.db2.gz CMLWAZOLJQSUKR-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531479 691993331 /nfs/dbraw/zinc/99/33/31/691993331.db2.gz KCCAUXYHOCFSGT-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045939064 692058050 /nfs/dbraw/zinc/05/80/50/692058050.db2.gz UKPLKQHUDAPIAU-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945000 692059420 /nfs/dbraw/zinc/05/94/20/692059420.db2.gz LTMPZCGGGNRMOA-HKUYNNGSSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979914 692067512 /nfs/dbraw/zinc/06/75/12/692067512.db2.gz MPPVSYBALSYGGA-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047264925 692405189 /nfs/dbraw/zinc/40/51/89/692405189.db2.gz CIBSEFBAFXIJBB-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049523440 692910896 /nfs/dbraw/zinc/91/08/96/692910896.db2.gz XWGNMEZTGBXWRW-IRXDYDNUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819749 693011564 /nfs/dbraw/zinc/01/15/64/693011564.db2.gz HUNDVRRMSWSNPV-MSOLQXFVSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001050519092 693199556 /nfs/dbraw/zinc/19/95/56/693199556.db2.gz OLDUYVJLDCEFOA-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001050561466 693207117 /nfs/dbraw/zinc/20/71/17/693207117.db2.gz UEBZAXVKBNOCQV-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001050591561 693213151 /nfs/dbraw/zinc/21/31/51/693213151.db2.gz VKIMEZCLZFYKFA-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050686865 693232200 /nfs/dbraw/zinc/23/22/00/693232200.db2.gz FNLMVVUQODQCDD-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000925803458 693344528 /nfs/dbraw/zinc/34/45/28/693344528.db2.gz OSNRFAXEZKJVLI-NVXWUHKLSA-N 2 0 312.461 2.362 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052427167 693532183 /nfs/dbraw/zinc/53/21/83/693532183.db2.gz WNBXSBUUIDAXRR-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446936 693537192 /nfs/dbraw/zinc/53/71/92/693537192.db2.gz UCOXSEMWXQWNAV-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052712002 693601076 /nfs/dbraw/zinc/60/10/76/693601076.db2.gz CMGDDFGBVSDTFZ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001332707611 1149882545 /nfs/dbraw/zinc/88/25/45/1149882545.db2.gz NPSZQYSQVNQZQU-SFHVURJKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](CC[NH3+])C1)C(C)C ZINC001356570254 1152090447 /nfs/dbraw/zinc/09/04/47/1152090447.db2.gz RLRLLLNMBHZEIF-IAGOWNOFSA-N 2 0 322.497 2.065 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001357582472 1152315250 /nfs/dbraw/zinc/31/52/50/1152315250.db2.gz WTHVJRQTTYAEMX-BHYGNILZSA-N 2 0 305.466 2.145 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001380173668 1152762341 /nfs/dbraw/zinc/76/23/41/1152762341.db2.gz XRFROSZUCWEYRW-UHFFFAOYSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001381132637 1152921610 /nfs/dbraw/zinc/92/16/10/1152921610.db2.gz WGPFPLCABGYGQJ-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001381987556 1153306765 /nfs/dbraw/zinc/30/67/65/1153306765.db2.gz CMZVNBOVJUJWMK-UHFFFAOYSA-N 2 0 315.889 2.394 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001382514670 1153459480 /nfs/dbraw/zinc/45/94/80/1153459480.db2.gz DSFFHCULKLJXEX-AWEZNQCLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001390607983 1155813393 /nfs/dbraw/zinc/81/33/93/1155813393.db2.gz HNMBJEHLJZNVGE-KBPBESRZSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001392074096 1156862600 /nfs/dbraw/zinc/86/26/00/1156862600.db2.gz JBOUEZUVHWRZQN-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001393745277 1157945341 /nfs/dbraw/zinc/94/53/41/1157945341.db2.gz QUUJZAFEKUXGBB-ZFWWWQNUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)CN(CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001377510732 1160446887 /nfs/dbraw/zinc/44/68/87/1160446887.db2.gz OCCJKYWCABMXRC-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001377973103 1160888182 /nfs/dbraw/zinc/88/81/82/1160888182.db2.gz SHXFPSJKFFIHRD-ZDUSSCGKSA-N 2 0 303.878 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001403772729 1163164110 /nfs/dbraw/zinc/16/41/10/1163164110.db2.gz QEFXLUJRXCHUNV-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001399224612 1161289260 /nfs/dbraw/zinc/28/92/60/1161289260.db2.gz LBTJESHYAFIDJJ-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001401872342 1162161535 /nfs/dbraw/zinc/16/15/35/1162161535.db2.gz ODXULKNKBXBGKY-CABCVRRESA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419810727 1168856360 /nfs/dbraw/zinc/85/63/60/1168856360.db2.gz ZLZXPSPSIGGNMI-HUUCEWRRSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420077926 1169144315 /nfs/dbraw/zinc/14/43/15/1169144315.db2.gz CKZUTEUDXAPONN-KBPBESRZSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001424854036 1173991987 /nfs/dbraw/zinc/99/19/87/1173991987.db2.gz KYNXCZCLKZPTRP-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001437147487 1179487786 /nfs/dbraw/zinc/48/77/86/1179487786.db2.gz CFIGKNOXJUSLLV-NSHDSACASA-N 2 0 315.870 2.270 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001441096009 1181846012 /nfs/dbraw/zinc/84/60/12/1181846012.db2.gz ZLPFRXRPRXVELB-LSDHHAIUSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001441412788 1181982176 /nfs/dbraw/zinc/98/21/76/1181982176.db2.gz CHZDEENHMGDYSK-DZGCQCFKSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001332300098 1149846417 /nfs/dbraw/zinc/84/64/17/1149846417.db2.gz DPIXOBZCYAOSBM-RDJZCZTQSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001072918053 790301205 /nfs/dbraw/zinc/30/12/05/790301205.db2.gz PUGCTMPRQLGGGP-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1CNc1cccc(C)n1 ZINC001333101326 1149998318 /nfs/dbraw/zinc/99/83/18/1149998318.db2.gz SGPLLIYWJLTRRC-INIZCTEOSA-N 2 0 316.449 2.301 20 30 DEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309889 783041212 /nfs/dbraw/zinc/04/12/12/783041212.db2.gz GQCZLRNREZWWRG-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089565436 783213047 /nfs/dbraw/zinc/21/30/47/783213047.db2.gz SAYXSWKIZWXQGE-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208457164 776593961 /nfs/dbraw/zinc/59/39/61/776593961.db2.gz RPBYGNOIEAWQIM-INIZCTEOSA-N 2 0 316.449 2.065 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167233005 776786761 /nfs/dbraw/zinc/78/67/61/776786761.db2.gz XSVMFQZUPINEKB-INIZCTEOSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104287848 776898596 /nfs/dbraw/zinc/89/85/96/776898596.db2.gz MYHAAGMOUBTHTF-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167425507 777019340 /nfs/dbraw/zinc/01/93/40/777019340.db2.gz GYLLULXTHGLRSG-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482320 777518799 /nfs/dbraw/zinc/51/87/99/777518799.db2.gz KBBJYKYKRTZZCY-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683316 778020920 /nfs/dbraw/zinc/02/09/20/778020920.db2.gz KABCMANTSQGEOC-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742761 778317634 /nfs/dbraw/zinc/31/76/34/778317634.db2.gz WIWLDVJNUXJHIU-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569795 779357440 /nfs/dbraw/zinc/35/74/40/779357440.db2.gz NGWRJODFODFAOY-BBWFWOEESA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569796 779357605 /nfs/dbraw/zinc/35/76/05/779357605.db2.gz NGWRJODFODFAOY-GVDBMIGSSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087659786 779401637 /nfs/dbraw/zinc/40/16/37/779401637.db2.gz AMRZWWJTEQYHAN-DLBZAZTESA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028176 779645651 /nfs/dbraw/zinc/64/56/51/779645651.db2.gz YZGJWRNODDHNCV-SJORKVTESA-N 2 0 324.428 2.304 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064293 779664761 /nfs/dbraw/zinc/66/47/61/779664761.db2.gz WKUONBHEIYCLTE-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001088329945 779968148 /nfs/dbraw/zinc/96/81/48/779968148.db2.gz LENMOZNSLZBKNW-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001088430895 780118965 /nfs/dbraw/zinc/11/89/65/780118965.db2.gz AUJPKQDYBJBVEM-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324442 781218112 /nfs/dbraw/zinc/21/81/12/781218112.db2.gz SOXRBXRHHMOCCS-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947937040 783273401 /nfs/dbraw/zinc/27/34/01/783273401.db2.gz ZWYSFDOZGJWQEC-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616796 783280612 /nfs/dbraw/zinc/28/06/12/783280612.db2.gz NYUFCRYWSYPFBB-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948242489 783389022 /nfs/dbraw/zinc/38/90/22/783389022.db2.gz XFPXYAXSYGUVBX-HUUCEWRRSA-N 2 0 313.873 2.146 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647176 783548417 /nfs/dbraw/zinc/54/84/17/783548417.db2.gz FHQIOKDGZNTWST-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085309281 783634624 /nfs/dbraw/zinc/63/46/24/783634624.db2.gz HISCSRHQLCGUMZ-MWDXBVQZSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001085352427 783648871 /nfs/dbraw/zinc/64/88/71/783648871.db2.gz GVJGTBXWGVBBKA-GVDBMIGSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205553 783905837 /nfs/dbraw/zinc/90/58/37/783905837.db2.gz LFRSVFKDCAHSSE-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855965 784151055 /nfs/dbraw/zinc/15/10/55/784151055.db2.gz NPUQJYAPALYDOE-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378116 784339141 /nfs/dbraw/zinc/33/91/41/784339141.db2.gz NTOWEZJNUAOCIV-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001171224025 791037913 /nfs/dbraw/zinc/03/79/13/791037913.db2.gz OSZVAPFAXUSLQJ-QGZVFWFLSA-N 2 0 314.477 2.059 20 30 DEEDRP 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 785531617 /nfs/dbraw/zinc/53/16/17/785531617.db2.gz IGHAMINPOACPIR-XHSDSOJGSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113292387 786505529 /nfs/dbraw/zinc/50/55/29/786505529.db2.gz WJDLQBJBIHUTKC-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001113346254 786538925 /nfs/dbraw/zinc/53/89/25/786538925.db2.gz SWWAYYFTOUWXID-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130614811 787443116 /nfs/dbraw/zinc/44/31/16/787443116.db2.gz FKDSVIIBPUNBCJ-UHFFFAOYSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097549492 788131263 /nfs/dbraw/zinc/13/12/63/788131263.db2.gz OARILQUFEDSDRU-OIISXLGYSA-N 2 0 310.401 2.246 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132937037 788231325 /nfs/dbraw/zinc/23/13/25/788231325.db2.gz FVKZDHJTQYXTGV-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132956138 788242874 /nfs/dbraw/zinc/24/28/74/788242874.db2.gz YUHKQIAVVZGLHR-DOTOQJQBSA-N 2 0 324.428 2.045 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001133186410 788311051 /nfs/dbraw/zinc/31/10/51/788311051.db2.gz UOWSBJLQZBPYJE-ZWKOTPCHSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133222342 788321280 /nfs/dbraw/zinc/32/12/80/788321280.db2.gz ODSFYGHLTSAZQI-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170752240 788939464 /nfs/dbraw/zinc/93/94/64/788939464.db2.gz YRUQTEBJPPJLOX-DLBZAZTESA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858534 789116411 /nfs/dbraw/zinc/11/64/11/789116411.db2.gz VMFFYIKEUHBBKX-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170789934 789188962 /nfs/dbraw/zinc/18/89/62/789188962.db2.gz RZJFVONNKZCBIE-BPQIPLTHSA-N 2 0 301.434 2.002 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101855 789199400 /nfs/dbraw/zinc/19/94/00/789199400.db2.gz SCQHGQPETPAMFZ-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086829616 789672821 /nfs/dbraw/zinc/67/28/21/789672821.db2.gz IGLPQQBUHQROJL-FUHWJXTLSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627747 789825367 /nfs/dbraw/zinc/82/53/67/789825367.db2.gz KSYDDJJYDFXEKD-DZGCQCFKSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735993 789897918 /nfs/dbraw/zinc/89/79/18/789897918.db2.gz WAVMXOAWYDJHHH-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820598 789929128 /nfs/dbraw/zinc/92/91/28/789929128.db2.gz AJFKACFUPXSGQB-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873450 789952882 /nfs/dbraw/zinc/95/28/82/789952882.db2.gz WNKMOCJKWLEGTQ-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072731552 790232870 /nfs/dbraw/zinc/23/28/70/790232870.db2.gz GIOAQWJWKVJQDY-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001074663162 791261644 /nfs/dbraw/zinc/26/16/44/791261644.db2.gz LLJSCHWYMVZSCW-ZQDZILKHSA-N 2 0 313.873 2.048 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001146610599 791323153 /nfs/dbraw/zinc/32/31/53/791323153.db2.gz KPWMEQRVXFTCSU-HZPDHXFCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001148291762 791731420 /nfs/dbraw/zinc/73/14/20/791731420.db2.gz BWXNKQQAJLJSPT-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754324 791815229 /nfs/dbraw/zinc/81/52/29/791815229.db2.gz OATDAXWEYLSKOS-AOIWGVFYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086941775 791856950 /nfs/dbraw/zinc/85/69/50/791856950.db2.gz BGESGKNTWOHDEK-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 791911678 /nfs/dbraw/zinc/91/16/78/791911678.db2.gz BKQOBXVVDMSDTD-BMFAXAFESA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721160 792118269 /nfs/dbraw/zinc/11/82/69/792118269.db2.gz HCCVFDGNDZHETF-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099224873 792143394 /nfs/dbraw/zinc/14/33/94/792143394.db2.gz KWEYCTJJBMBXFW-IAGOWNOFSA-N 2 0 321.509 2.203 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403790 792631704 /nfs/dbraw/zinc/63/17/04/792631704.db2.gz YPQMLNHJRHDTKZ-LXPRWKDFSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100471067 792672406 /nfs/dbraw/zinc/67/24/06/792672406.db2.gz NFSRDIUDAZBNCG-OFLPRAFFSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362977 793134037 /nfs/dbraw/zinc/13/40/37/793134037.db2.gz LUCMVSXRIPZWBG-NUJGCVRESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400159 793144534 /nfs/dbraw/zinc/14/45/34/793144534.db2.gz JEKIEJDQJJLCJX-LMMKCTJWSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171634701 793171671 /nfs/dbraw/zinc/17/16/71/793171671.db2.gz WXHDTUATPWPDFB-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001101567758 793236933 /nfs/dbraw/zinc/23/69/33/793236933.db2.gz CGWQKWBQVWHIHA-UHFFFAOYSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001101590520 793254384 /nfs/dbraw/zinc/25/43/84/793254384.db2.gz WSXUEKIRYNSHLK-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001094976175 793531162 /nfs/dbraw/zinc/53/11/62/793531162.db2.gz LTOYMLQSCQHWBD-BBWFWOEESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001094986904 793544220 /nfs/dbraw/zinc/54/42/20/793544220.db2.gz RZNQUKXQIHJSSR-IMJJTQAJSA-N 2 0 317.433 2.110 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCC[C@H](OC)C2)CC1 ZINC001172954460 793553919 /nfs/dbraw/zinc/55/39/19/793553919.db2.gz SXOYKEVXUHTJMR-OALUTQOASA-N 2 0 321.509 2.236 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001095064906 793636822 /nfs/dbraw/zinc/63/68/22/793636822.db2.gz QWHLGHSFSDTZTA-KSZLIROESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCOC1CCC([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001173321038 793677647 /nfs/dbraw/zinc/67/76/47/793677647.db2.gz VNCUUXBRCQVBDE-WZOJCFFYSA-N 2 0 321.509 2.210 20 30 DEEDRP C[NH+]1CCN(C2CC[NH+](C3CCC(CC#N)CC3)CC2)CC1 ZINC001173335514 793681763 /nfs/dbraw/zinc/68/17/63/793681763.db2.gz PCHUUOIQHKUFSA-UHFFFAOYSA-N 2 0 304.482 2.171 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203349408 793914041 /nfs/dbraw/zinc/91/40/41/793914041.db2.gz NLLIEFDXDVVWAV-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368264 794060774 /nfs/dbraw/zinc/06/07/74/794060774.db2.gz SALWNNMYWHCYPN-VSZNYVQBSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544391 794139648 /nfs/dbraw/zinc/13/96/48/794139648.db2.gz NXMYNQFUUXZGGV-KZNAEPCWSA-N 2 0 321.509 2.060 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001103755404 794213598 /nfs/dbraw/zinc/21/35/98/794213598.db2.gz GBYXBHQDITWZKJ-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184793 794370304 /nfs/dbraw/zinc/37/03/04/794370304.db2.gz NLMYWDBSMQNKHV-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCCCCC)CC1 ZINC001176926474 794530004 /nfs/dbraw/zinc/53/00/04/794530004.db2.gz NQGSLJTWEPWULT-UHFFFAOYSA-N 2 0 321.509 2.398 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004482 794543150 /nfs/dbraw/zinc/54/31/50/794543150.db2.gz FBOCWXQMFIKTPJ-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)[NH+](C)C ZINC001177348174 794651356 /nfs/dbraw/zinc/65/13/56/794651356.db2.gz BEBOYDGLQDTKQZ-GOSISDBHSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591945 794831801 /nfs/dbraw/zinc/83/18/01/794831801.db2.gz LVCCGRVXGIPUNH-SJORKVTESA-N 2 0 317.477 2.045 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115731182 794899742 /nfs/dbraw/zinc/89/97/42/794899742.db2.gz ZHAADVNMVJGVAS-UHFFFAOYSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468630 794931754 /nfs/dbraw/zinc/93/17/54/794931754.db2.gz VMGCYNOFTZVHPV-KRWDZBQOSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178811384 795002269 /nfs/dbraw/zinc/00/22/69/795002269.db2.gz UEARESFVMZLCBD-MSOLQXFVSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814979 795012658 /nfs/dbraw/zinc/01/26/58/795012658.db2.gz YBKXTLVMANHHOI-JYJNAYRXSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546362 795135691 /nfs/dbraw/zinc/13/56/91/795135691.db2.gz MXJUEMPETKEYAY-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179651069 795147356 /nfs/dbraw/zinc/14/73/56/795147356.db2.gz FTKOWYIZXMCAJG-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)[C@H]1C ZINC001179903219 795207330 /nfs/dbraw/zinc/20/73/30/795207330.db2.gz CHCZRAMMPJCETM-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCCn1cc(CN2CCC[C@H](Cc3nccn3C)C2)nn1 ZINC001118630129 795207931 /nfs/dbraw/zinc/20/79/31/795207931.db2.gz YMFSDNYDJLBGRC-OAHLLOKOSA-N 2 0 314.437 2.042 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001180352280 795280088 /nfs/dbraw/zinc/28/00/88/795280088.db2.gz NTXIUZKYQVBWPI-CALCHBBNSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[NH+]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204268408 795299072 /nfs/dbraw/zinc/29/90/72/795299072.db2.gz KORKPPBEXMQGSN-UHFFFAOYSA-N 2 0 317.477 2.321 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130281 795410126 /nfs/dbraw/zinc/41/01/26/795410126.db2.gz UVEANAIHCRTENI-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120190096 795419810 /nfs/dbraw/zinc/41/98/10/795419810.db2.gz ROCUUDHFFWRLFI-IAGOWNOFSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423229 795456725 /nfs/dbraw/zinc/45/67/25/795456725.db2.gz SEYCJLPTORCFID-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184565552 796084395 /nfs/dbraw/zinc/08/43/95/796084395.db2.gz JWEVRUDNGTYOGI-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184629331 796095290 /nfs/dbraw/zinc/09/52/90/796095290.db2.gz XPFQZFVCFKQNJW-CQSZACIVSA-N 2 0 313.873 2.194 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184734881 796118121 /nfs/dbraw/zinc/11/81/21/796118121.db2.gz LWYCTGVLXYZAIV-RDJZCZTQSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185032254 796174249 /nfs/dbraw/zinc/17/42/49/796174249.db2.gz WALJAHJFKHENJV-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171770 796202024 /nfs/dbraw/zinc/20/20/24/796202024.db2.gz XYXPPFSJBOANTN-IRXDYDNUSA-N 2 0 321.509 2.062 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001185316928 796227997 /nfs/dbraw/zinc/22/79/97/796227997.db2.gz KVCCPHQZFDPJID-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203043780 796533445 /nfs/dbraw/zinc/53/34/45/796533445.db2.gz FGORXZBKRXRUCE-DLBZAZTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203116078 796704233 /nfs/dbraw/zinc/70/42/33/796704233.db2.gz WZNBSTDDMYUFGT-HZPDHXFCSA-N 2 0 317.477 2.208 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690757 796706177 /nfs/dbraw/zinc/70/61/77/796706177.db2.gz PUYGRFDYWJQPRQ-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420437 796756096 /nfs/dbraw/zinc/75/60/96/796756096.db2.gz UHMWYNLPDDDVJG-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190083916 796934453 /nfs/dbraw/zinc/93/44/53/796934453.db2.gz HKFHCDOVZWZCEE-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190656942 797049980 /nfs/dbraw/zinc/04/99/80/797049980.db2.gz YEKUHEQUXMENRV-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001192293305 797356201 /nfs/dbraw/zinc/35/62/01/797356201.db2.gz HRLXRDJEKYDFHN-CABCVRRESA-N 2 0 316.449 2.329 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814454 797402088 /nfs/dbraw/zinc/40/20/88/797402088.db2.gz GOBNUHQNZSCOML-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791398 797699477 /nfs/dbraw/zinc/69/94/77/797699477.db2.gz IEIQGUUFMCRAGC-JKSUJKDBSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001156307066 797970989 /nfs/dbraw/zinc/97/09/89/797970989.db2.gz ZKYIQHQZYSSDON-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[C@H](C)n1ccnc1CC ZINC001158420655 798404401 /nfs/dbraw/zinc/40/44/01/798404401.db2.gz JISXRTKUWAQKGJ-ZDUSSCGKSA-N 2 0 312.845 2.245 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158473384 798412755 /nfs/dbraw/zinc/41/27/55/798412755.db2.gz KRLLUPHDTPUIMB-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646522 798443118 /nfs/dbraw/zinc/44/31/18/798443118.db2.gz PHPPAFUIHGVCJR-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577746 798652539 /nfs/dbraw/zinc/65/25/39/798652539.db2.gz FSVSSFFNZLYLDI-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664134 798953231 /nfs/dbraw/zinc/95/32/31/798953231.db2.gz HIEOTIJYUXGJLE-OAGGEKHMSA-N 2 0 305.466 2.158 20 30 DEEDRP N#Cc1c(Nc2ccc(C[NH3+])c(F)c2)ncc2c1CCC[NH2+]C2 ZINC001162522409 799109306 /nfs/dbraw/zinc/10/93/06/799109306.db2.gz BUIVHHDHRSJDNS-UHFFFAOYSA-N 2 0 311.364 2.330 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164536956 799619712 /nfs/dbraw/zinc/61/97/12/799619712.db2.gz XMQBXNMBAVNTGP-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554401 799621134 /nfs/dbraw/zinc/62/11/34/799621134.db2.gz BRMWFYYRESJTSF-KRWDZBQOSA-N 2 0 319.493 2.171 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165471860 799734288 /nfs/dbraw/zinc/73/42/88/799734288.db2.gz BYVBAFOEACEXNN-QGZVFWFLSA-N 2 0 321.509 2.417 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165627098 799751839 /nfs/dbraw/zinc/75/18/39/799751839.db2.gz CSAOUKCTDRTWQF-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772405 800120298 /nfs/dbraw/zinc/12/02/98/800120298.db2.gz SHOUPXXSGTYIJF-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001203875863 800138599 /nfs/dbraw/zinc/13/85/99/800138599.db2.gz APUSXLDOKQQIQK-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205241383 800327265 /nfs/dbraw/zinc/32/72/65/800327265.db2.gz CMISMUNWVMNWEX-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205594426 800382004 /nfs/dbraw/zinc/38/20/04/800382004.db2.gz SFLWRZFXQOAGOF-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001207006924 800654365 /nfs/dbraw/zinc/65/43/65/800654365.db2.gz CKAZCICIARAHJP-OWCLPIDISA-N 2 0 318.465 2.409 20 30 DEEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396027 800743882 /nfs/dbraw/zinc/74/38/82/800743882.db2.gz AQADEDKQIILFQN-RBUKOAKNSA-N 2 0 322.493 2.402 20 30 DEEDRP 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 800855774 /nfs/dbraw/zinc/85/57/74/800855774.db2.gz LZYRQILQHFZDEX-ZJPYXAASSA-N 2 0 319.493 2.098 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073185 800906119 /nfs/dbraw/zinc/90/61/19/800906119.db2.gz DWWVEUCTSROSOO-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605900 801028987 /nfs/dbraw/zinc/02/89/87/801028987.db2.gz WUYIPJWMQKQUTR-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208609948 801031603 /nfs/dbraw/zinc/03/16/03/801031603.db2.gz XPQBCBMRJFTWQJ-OKZBNKHCSA-N 2 0 308.466 2.154 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001208678039 801045063 /nfs/dbraw/zinc/04/50/63/801045063.db2.gz DPNXUYODFMSOHJ-HZPDHXFCSA-N 2 0 318.465 2.288 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304875 801168056 /nfs/dbraw/zinc/16/80/56/801168056.db2.gz VGKQRJUSDKBPKT-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565658 801220277 /nfs/dbraw/zinc/22/02/77/801220277.db2.gz GVAYBLVEQWGRRO-BRWVUGGUSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001209588392 801227183 /nfs/dbraw/zinc/22/71/83/801227183.db2.gz HRVVKRKIXUBTCT-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717313 801309777 /nfs/dbraw/zinc/30/97/77/801309777.db2.gz QOSZYVFCWCAHAD-GVDBMIGSSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240576 801536142 /nfs/dbraw/zinc/53/61/42/801536142.db2.gz NBWRFDYPWWZKIK-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214747130 801756694 /nfs/dbraw/zinc/75/66/94/801756694.db2.gz FGTSXBIOOWKURM-UKRRQHHQSA-N 2 0 321.490 2.436 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216773674 802024029 /nfs/dbraw/zinc/02/40/29/802024029.db2.gz CUILEXXJRAUWAP-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001218560553 802204812 /nfs/dbraw/zinc/20/48/12/802204812.db2.gz RQPOQCAFINFUBD-AWEZNQCLSA-N 2 0 319.453 2.112 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221617003 802598509 /nfs/dbraw/zinc/59/85/09/802598509.db2.gz ZPNWZGZQXMYZHU-BRWVUGGUSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223410499 802787624 /nfs/dbraw/zinc/78/76/24/802787624.db2.gz BCMXOOQXGKZWPD-AEFFLSMTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226800259 803161856 /nfs/dbraw/zinc/16/18/56/803161856.db2.gz JAKYLWZIJBVVBZ-ZACQAIPSSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227093094 803198749 /nfs/dbraw/zinc/19/87/49/803198749.db2.gz ZZAAKWZQOCDLDD-ZACQAIPSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227833168 803285838 /nfs/dbraw/zinc/28/58/38/803285838.db2.gz UXVJSOXBMZNVEX-OAHLLOKOSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001228138703 803324315 /nfs/dbraw/zinc/32/43/15/803324315.db2.gz WTENMKSVPQZAOB-KZNAEPCWSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001228595775 803378414 /nfs/dbraw/zinc/37/84/14/803378414.db2.gz ZJXVYSFTZOBFDB-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001328684535 1148823880 /nfs/dbraw/zinc/82/38/80/1148823880.db2.gz ZNNRXIIGMYJIBA-FGTMMUONSA-N 2 0 313.445 2.029 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1cncn1C ZINC001328785009 1148834952 /nfs/dbraw/zinc/83/49/52/1148834952.db2.gz FTMAYQORFGGFMW-QGZVFWFLSA-N 2 0 318.465 2.242 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001499955170 1058398451 /nfs/dbraw/zinc/39/84/51/1058398451.db2.gz OIZCMQBCMNCLNV-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500048838 1058452548 /nfs/dbraw/zinc/45/25/48/1058452548.db2.gz WHWYEGDEHHRYBG-KRWDZBQOSA-N 2 0 321.509 2.301 20 30 DEEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCC)CC1 ZINC001500048351 1058453066 /nfs/dbraw/zinc/45/30/66/1058453066.db2.gz IIPBWCIUYGPXQM-IRXDYDNUSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001501051378 1059234917 /nfs/dbraw/zinc/23/49/17/1059234917.db2.gz VNWZVURIZOYTGB-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001501243226 1059403702 /nfs/dbraw/zinc/40/37/02/1059403702.db2.gz WUVPWYNVVWPEBO-HDICACEKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001503200411 1060436941 /nfs/dbraw/zinc/43/69/41/1060436941.db2.gz KFYSGLATRSOZIO-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C[NH+]1CCN(c2ccc(CC[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC001474759299 1060935517 /nfs/dbraw/zinc/93/55/17/1060935517.db2.gz HWZHEAYUEIKQFI-ROUUACIJSA-N 2 0 312.461 2.263 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001479557705 1061501007 /nfs/dbraw/zinc/50/10/07/1061501007.db2.gz RFUIVKLBZNXSHV-IKGGRYGDSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001479687379 1061598125 /nfs/dbraw/zinc/59/81/25/1061598125.db2.gz GARYNMJUSBPHDJ-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001479729071 1061646934 /nfs/dbraw/zinc/64/69/34/1061646934.db2.gz HIJQQBWIQVBCEV-IKGGRYGDSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001479777677 1061734635 /nfs/dbraw/zinc/73/46/35/1061734635.db2.gz AMSIFDXYLSPSBX-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001480096858 1062321346 /nfs/dbraw/zinc/32/13/46/1062321346.db2.gz AICVUDVRNDSZHY-ZACQAIPSSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001480287653 1062590028 /nfs/dbraw/zinc/59/00/28/1062590028.db2.gz FZMDUJZHUZXVIC-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)N(C)C ZINC001480368517 1062723002 /nfs/dbraw/zinc/72/30/02/1062723002.db2.gz ZEWBRNUWXLCFLP-ROUUACIJSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480614006 1063105938 /nfs/dbraw/zinc/10/59/38/1063105938.db2.gz IAAJEOREKDBMGN-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480653897 1063147830 /nfs/dbraw/zinc/14/78/30/1063147830.db2.gz UBIXQCKBZKOZTA-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507358851 1063150998 /nfs/dbraw/zinc/15/09/98/1063150998.db2.gz XXIOASWPMPEQGH-WMZOPIPTSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480793416 1063350299 /nfs/dbraw/zinc/35/02/99/1063350299.db2.gz BAVXVONIYQGVGZ-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493969363 1064049907 /nfs/dbraw/zinc/04/99/07/1064049907.db2.gz ZPXLKGNUWBLAIR-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494030503 1064091318 /nfs/dbraw/zinc/09/13/18/1064091318.db2.gz PMJHPZCRQOJDLD-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494136426 1064135522 /nfs/dbraw/zinc/13/55/22/1064135522.db2.gz DDAYKLLONRBFHB-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001567455452 1064206420 /nfs/dbraw/zinc/20/64/20/1064206420.db2.gz BRKIYCLDBZCBHU-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001567455451 1064206535 /nfs/dbraw/zinc/20/65/35/1064206535.db2.gz BRKIYCLDBZCBHU-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001567628108 1064289337 /nfs/dbraw/zinc/28/93/37/1064289337.db2.gz JONBPKHJYPRDDM-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001567634826 1064296429 /nfs/dbraw/zinc/29/64/29/1064296429.db2.gz RNKFTTHFVYUOFZ-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567688984 1064346126 /nfs/dbraw/zinc/34/61/26/1064346126.db2.gz OWTZVHQPLBMIMD-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567742938 1064396238 /nfs/dbraw/zinc/39/62/38/1064396238.db2.gz VODWPWJTGKKJNJ-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[C@@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567742940 1064396766 /nfs/dbraw/zinc/39/67/66/1064396766.db2.gz VODWPWJTGKKJNJ-SJORKVTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001567752619 1064403623 /nfs/dbraw/zinc/40/36/23/1064403623.db2.gz BJZQKVSEGUXQIK-GOSISDBHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567836071 1064451240 /nfs/dbraw/zinc/45/12/40/1064451240.db2.gz UPTJWKZOQMQRRN-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001567840801 1064455084 /nfs/dbraw/zinc/45/50/84/1064455084.db2.gz GCACWAMJLIPPKC-HNNXBMFYSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494834778 1064497950 /nfs/dbraw/zinc/49/79/50/1064497950.db2.gz RPHPJBQHGJEENS-INIZCTEOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001494909501 1064566570 /nfs/dbraw/zinc/56/65/70/1064566570.db2.gz GWVDUDXSGJCNMH-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP CC#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@H]1C ZINC001568043481 1064614891 /nfs/dbraw/zinc/61/48/91/1064614891.db2.gz KWMVYZLQVUPTAH-SJLPKXTDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001568208672 1064701108 /nfs/dbraw/zinc/70/11/08/1064701108.db2.gz PBGCAPPFXYTNTB-HNNXBMFYSA-N 2 0 303.450 2.280 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001495369545 1064865453 /nfs/dbraw/zinc/86/54/53/1064865453.db2.gz GELVZRURSAFAAH-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001568438724 1064873052 /nfs/dbraw/zinc/87/30/52/1064873052.db2.gz RTFPXHOWKIWVIN-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001568491326 1064909073 /nfs/dbraw/zinc/90/90/73/1064909073.db2.gz OMOVJRFUCVYQLH-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001568513429 1064925807 /nfs/dbraw/zinc/92/58/07/1064925807.db2.gz LFQDKXKGNAUDQM-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001495581533 1064990373 /nfs/dbraw/zinc/99/03/73/1064990373.db2.gz ZHYRBZFDRYFFGG-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001569135710 1065312648 /nfs/dbraw/zinc/31/26/48/1065312648.db2.gz ZUGVHNVLKUCEDJ-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001569174851 1065341270 /nfs/dbraw/zinc/34/12/70/1065341270.db2.gz NGEICBPJYODOGA-IAGOWNOFSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001496316110 1065404189 /nfs/dbraw/zinc/40/41/89/1065404189.db2.gz YBWSQAIVNHCFLX-QZTJIDSGSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001496350403 1065421409 /nfs/dbraw/zinc/42/14/09/1065421409.db2.gz HRWJCIRTCHLPOG-KBXCAEBGSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001569321523 1065427062 /nfs/dbraw/zinc/42/70/62/1065427062.db2.gz QMCFXTKFPDPZTM-IAGOWNOFSA-N 2 0 307.482 2.310 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569381605 1065474855 /nfs/dbraw/zinc/47/48/55/1065474855.db2.gz UGISBYHIAKLMRS-INIZCTEOSA-N 2 0 307.482 2.243 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001496492336 1065508121 /nfs/dbraw/zinc/50/81/21/1065508121.db2.gz SBJLFRMSZUVQQI-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCC1 ZINC001569603805 1065617568 /nfs/dbraw/zinc/61/75/68/1065617568.db2.gz FYRWKBWSDFAWGW-OKZBNKHCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001569821899 1065743624 /nfs/dbraw/zinc/74/36/24/1065743624.db2.gz UCDNQTKBYCBQRF-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001570016794 1065884770 /nfs/dbraw/zinc/88/47/70/1065884770.db2.gz KCAZHGWXWWLSGW-HKUYNNGSSA-N 2 0 319.493 2.267 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001570263425 1065996636 /nfs/dbraw/zinc/99/66/36/1065996636.db2.gz OGCOJENVTWZZOK-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497677861 1066233210 /nfs/dbraw/zinc/23/32/10/1066233210.db2.gz BTBVFXAKIIAIGP-TUYSUELWSA-N 2 0 311.445 2.037 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498487420 1066739499 /nfs/dbraw/zinc/73/94/99/1066739499.db2.gz GHZLBVZGOYYHDQ-IAGOWNOFSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001499530213 1067249166 /nfs/dbraw/zinc/24/91/66/1067249166.db2.gz FWMYQNXTLTVMKW-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267015383 1078502920 /nfs/dbraw/zinc/50/29/20/1078502920.db2.gz XKOZTZRJMFSXNR-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP N#Cc1ccc(C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066759 1067488154 /nfs/dbraw/zinc/48/81/54/1067488154.db2.gz SOFXIFMWIVNEGF-RBUKOAKNSA-N 2 0 311.429 2.291 20 30 DEEDRP N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001580078345 1067491414 /nfs/dbraw/zinc/49/14/14/1067491414.db2.gz VJPCAGFEAAPDDZ-KCQAQPDRSA-N 2 0 300.362 2.026 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001267094886 1078568752 /nfs/dbraw/zinc/56/87/52/1078568752.db2.gz WAHDEGSLQDRAMQ-IRXDYDNUSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267182131 1078646359 /nfs/dbraw/zinc/64/63/59/1078646359.db2.gz VEOPRXAHCSALPA-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001570822422 1068129505 /nfs/dbraw/zinc/12/95/05/1068129505.db2.gz CWFUGPUBHHZWBC-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC/C=C\CC)CC1 ZINC001571419639 1068286060 /nfs/dbraw/zinc/28/60/60/1068286060.db2.gz VHKJCEVGNHCVFO-QWPQOLDESA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001571645895 1068457020 /nfs/dbraw/zinc/45/70/20/1068457020.db2.gz XSXYVEYDJVQLJZ-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001571689251 1068481547 /nfs/dbraw/zinc/48/15/47/1068481547.db2.gz PSHMTMAWTMKBKC-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325095 1078765735 /nfs/dbraw/zinc/76/57/35/1078765735.db2.gz CEVFDIMRKWTHSJ-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[C@@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)OCC ZINC001574860487 1069279310 /nfs/dbraw/zinc/27/93/10/1069279310.db2.gz PJMZZLRGZXOTHK-WTUNAVPPSA-N 2 0 300.830 2.181 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001272486285 1078918596 /nfs/dbraw/zinc/91/85/96/1078918596.db2.gz PNCUYQAURRBXPQ-OAHLLOKOSA-N 2 0 312.417 2.271 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267566558 1079000554 /nfs/dbraw/zinc/00/05/54/1079000554.db2.gz GGSYRIKZIRRISN-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593987 1079109159 /nfs/dbraw/zinc/10/91/59/1079109159.db2.gz WMZUIDOLXQAKSP-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593986 1079109241 /nfs/dbraw/zinc/10/92/41/1079109241.db2.gz WMZUIDOLXQAKSP-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001649471850 1079133479 /nfs/dbraw/zinc/13/34/79/1079133479.db2.gz LOCDVPLXYQMRRL-MSOLQXFVSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001483811659 1079135279 /nfs/dbraw/zinc/13/52/79/1079135279.db2.gz VWASOLSEOOIORM-BBWFWOEESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001483935517 1079195536 /nfs/dbraw/zinc/19/55/36/1079195536.db2.gz XNBBXHJJKYLAGQ-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001329356075 1148887481 /nfs/dbraw/zinc/88/74/81/1148887481.db2.gz HEJVCNITEIYDSB-IAGOWNOFSA-N 2 0 321.509 2.204 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484115154 1079306679 /nfs/dbraw/zinc/30/66/79/1079306679.db2.gz QPYJVBJRHWVVGG-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484160431 1079334279 /nfs/dbraw/zinc/33/42/79/1079334279.db2.gz FXIHHYQZQFRFQA-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001558769249 1075105024 /nfs/dbraw/zinc/10/50/24/1075105024.db2.gz RYLZMJATGSAPIU-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001565828256 1075191115 /nfs/dbraw/zinc/19/11/15/1075191115.db2.gz LNTRPBKKRKAVQW-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001566077795 1075225103 /nfs/dbraw/zinc/22/51/03/1075225103.db2.gz OKSBJXWVWCMPNI-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566130999 1075235066 /nfs/dbraw/zinc/23/50/66/1075235066.db2.gz FOKAHPPWNBOJNB-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)CN(C)CCCNC(=O)c1ccn2c(C)cnc2c1 ZINC001566454368 1075249059 /nfs/dbraw/zinc/24/90/59/1075249059.db2.gz SGPLHGAUFVWVFD-UHFFFAOYSA-N 2 0 320.824 2.447 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566626334 1075299967 /nfs/dbraw/zinc/29/99/67/1075299967.db2.gz JAKOTRKJJXHQMQ-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001566714264 1075325014 /nfs/dbraw/zinc/32/50/14/1075325014.db2.gz JIHWYEJNVATDRB-DOTOQJQBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001566813831 1075351430 /nfs/dbraw/zinc/35/14/30/1075351430.db2.gz PHQIYMUSAWQHKN-VQHPVUNQSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566893437 1075375968 /nfs/dbraw/zinc/37/59/68/1075375968.db2.gz IDMNMJBSVVOVKX-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001496349272 1079457194 /nfs/dbraw/zinc/45/71/94/1079457194.db2.gz CMLKSIXXKWDHLJ-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267807163 1079508426 /nfs/dbraw/zinc/50/84/26/1079508426.db2.gz SQJZJYYKWKHUAD-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001267874438 1079562711 /nfs/dbraw/zinc/56/27/11/1079562711.db2.gz UIMGBFIXNXWWMV-SJLPKXTDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001484412054 1079597527 /nfs/dbraw/zinc/59/75/27/1079597527.db2.gz IKXWBGWPESWUED-FGTMMUONSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001267974086 1079656972 /nfs/dbraw/zinc/65/69/72/1079656972.db2.gz MIJZDTCIYSVPIY-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484813343 1079805460 /nfs/dbraw/zinc/80/54/60/1079805460.db2.gz OCJDHNSSYYLKCB-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001268037463 1079872159 /nfs/dbraw/zinc/87/21/59/1079872159.db2.gz JCESNOGOJGNZAI-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211959 1080071805 /nfs/dbraw/zinc/07/18/05/1080071805.db2.gz MGNQLYFWUZMWBX-GJZGRUSLSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(CC)CC)CC1 ZINC001485229285 1080076937 /nfs/dbraw/zinc/07/69/37/1080076937.db2.gz IORJEZBQNOQETP-HZPDHXFCSA-N 2 0 321.509 2.251 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268113421 1080082580 /nfs/dbraw/zinc/08/25/80/1080082580.db2.gz TURCLUFGQVMHGJ-ZWKOTPCHSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1CC ZINC001656763757 1080121149 /nfs/dbraw/zinc/12/11/49/1080121149.db2.gz NTAINCYHDKDSEO-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]cn2)CCCCC1 ZINC001485458356 1080226456 /nfs/dbraw/zinc/22/64/56/1080226456.db2.gz YZSBPDBGETVNQS-AWEZNQCLSA-N 2 0 304.438 2.183 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001485506830 1080267366 /nfs/dbraw/zinc/26/73/66/1080267366.db2.gz QXYYWFWJBAKKGK-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001485592896 1080320492 /nfs/dbraw/zinc/32/04/92/1080320492.db2.gz CSYRHSUEPCSJRI-ZJPYXAASSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001485707103 1080373116 /nfs/dbraw/zinc/37/31/16/1080373116.db2.gz SLUPBSKRDTVWBA-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268373708 1080386808 /nfs/dbraw/zinc/38/68/08/1080386808.db2.gz RKKYHOQRACPCKU-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001660833818 1080404923 /nfs/dbraw/zinc/40/49/23/1080404923.db2.gz VDLVZGRUSMUPBM-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001485759082 1080410988 /nfs/dbraw/zinc/41/09/88/1080410988.db2.gz HSWLOKBEZFMNQQ-HUUCEWRRSA-N 2 0 302.422 2.012 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661556189 1080494140 /nfs/dbraw/zinc/49/41/40/1080494140.db2.gz QUEQCOFZAHTFFB-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458212 1080522920 /nfs/dbraw/zinc/52/29/20/1080522920.db2.gz HFDRCUFZPRVERL-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001279169804 1080550623 /nfs/dbraw/zinc/55/06/23/1080550623.db2.gz JGNBGIURDNXHKH-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001662108448 1080570409 /nfs/dbraw/zinc/57/04/09/1080570409.db2.gz GJSKQNRUUWQZQT-UHFFFAOYSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001662426473 1080608020 /nfs/dbraw/zinc/60/80/20/1080608020.db2.gz XUMXOAKLNHYXMM-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001481975132 1080662029 /nfs/dbraw/zinc/66/20/29/1080662029.db2.gz QLYAOAKOVSZTEU-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001481999845 1080680955 /nfs/dbraw/zinc/68/09/55/1080680955.db2.gz XNYXTKWNLLZMPV-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001664457393 1080912384 /nfs/dbraw/zinc/91/23/84/1080912384.db2.gz NLVVUZOPUDKIEW-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001664574127 1080927819 /nfs/dbraw/zinc/92/78/19/1080927819.db2.gz PKXPHQMCXVSUDU-MSOLQXFVSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001664876282 1080975549 /nfs/dbraw/zinc/97/55/49/1080975549.db2.gz QDADEBSQUTUHJQ-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001269085448 1081110736 /nfs/dbraw/zinc/11/07/36/1081110736.db2.gz TWDGGHISFQQFLQ-KRWDZBQOSA-N 2 0 312.417 2.317 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001666310571 1081142859 /nfs/dbraw/zinc/14/28/59/1081142859.db2.gz TUWBYEVYJOVGSS-KZNAEPCWSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001666364098 1081147925 /nfs/dbraw/zinc/14/79/25/1081147925.db2.gz GFDCOUKOUJKRLI-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001666379098 1081149050 /nfs/dbraw/zinc/14/90/50/1081149050.db2.gz IKJDHCHNELFGPX-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001667401507 1081248316 /nfs/dbraw/zinc/24/83/16/1081248316.db2.gz VWNHPJKDQQIWDB-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001667426793 1081250716 /nfs/dbraw/zinc/25/07/16/1081250716.db2.gz YWQCBIXEHPDAOA-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001667584857 1081266275 /nfs/dbraw/zinc/26/62/75/1081266275.db2.gz IFOYWOCAODMSMT-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH+](C)CCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001667647960 1081270142 /nfs/dbraw/zinc/27/01/42/1081270142.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 2 0 315.461 2.093 20 30 DEEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863909 1081404708 /nfs/dbraw/zinc/40/47/08/1081404708.db2.gz AJAFKBGRPPONGH-RTRPANQVSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270249822 1081485926 /nfs/dbraw/zinc/48/59/26/1081485926.db2.gz LHZOTXKBUZTWBI-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCC)CC1 ZINC001270295969 1081496270 /nfs/dbraw/zinc/49/62/70/1081496270.db2.gz INPVCMBWINJIBZ-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001671842846 1081542498 /nfs/dbraw/zinc/54/24/98/1081542498.db2.gz PNXHOBJHCIAZCR-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001673598030 1081784483 /nfs/dbraw/zinc/78/44/83/1081784483.db2.gz XZNKCPOOIIDSFZ-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001674032921 1081830617 /nfs/dbraw/zinc/83/06/17/1081830617.db2.gz BTAKXULBDAHETE-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001270912042 1081834626 /nfs/dbraw/zinc/83/46/26/1081834626.db2.gz UREGEDMZABQNHH-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001674348195 1081862696 /nfs/dbraw/zinc/86/26/96/1081862696.db2.gz OZNXJQKMEKNBOO-WMZOPIPTSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001674486391 1081880626 /nfs/dbraw/zinc/88/06/26/1081880626.db2.gz JZEMMIQIVOVUJF-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266333009 1081976895 /nfs/dbraw/zinc/97/68/95/1081976895.db2.gz FFBBFZLOYXXQSV-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001271405770 1082032135 /nfs/dbraw/zinc/03/21/35/1082032135.db2.gz YLPBOQNPRRQBQH-KSSFIOAISA-N 2 0 324.428 2.106 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266614586 1082214128 /nfs/dbraw/zinc/21/41/28/1082214128.db2.gz JXJCOOGVIDJJPF-BQFCYCMXSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001266662253 1082257385 /nfs/dbraw/zinc/25/73/85/1082257385.db2.gz DEKUVTIYBDAFSK-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001266663268 1082257849 /nfs/dbraw/zinc/25/78/49/1082257849.db2.gz NFFCPFWZICKKIY-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001272046688 1082332813 /nfs/dbraw/zinc/33/28/13/1082332813.db2.gz YROMLMOGFQTGOA-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167476701 1082342768 /nfs/dbraw/zinc/34/27/68/1082342768.db2.gz FCRWECLOIRBKQL-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001266917185 1082451271 /nfs/dbraw/zinc/45/12/71/1082451271.db2.gz TZQNCHTTYSNLAJ-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001483133620 1082765034 /nfs/dbraw/zinc/76/50/34/1082765034.db2.gz KUASKGRRVWFVPR-LLVKDONJSA-N 2 0 315.870 2.270 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107533775 1083465953 /nfs/dbraw/zinc/46/59/53/1083465953.db2.gz GEFOJMGZPUXBTN-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276858990 1083652012 /nfs/dbraw/zinc/65/20/12/1083652012.db2.gz UYCUVANRUWSFBF-OALUTQOASA-N 2 0 312.461 2.077 20 30 DEEDRP C=CCCCC[NH+]1CC2(C[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276885427 1083664326 /nfs/dbraw/zinc/66/43/26/1083664326.db2.gz LLNJAOYUXMIOJL-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001490902004 1083875107 /nfs/dbraw/zinc/87/51/07/1083875107.db2.gz BFFVDKDLCZLRPS-QAETUUGQSA-N 2 0 305.466 2.206 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001490957789 1083973081 /nfs/dbraw/zinc/97/30/81/1083973081.db2.gz CKRRQQLDRIFBFF-IYARVYRRSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001277779053 1084144049 /nfs/dbraw/zinc/14/40/49/1084144049.db2.gz BHOYBQPKZLXGGB-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N(C)CC[NH+](CC)CC ZINC001277780062 1084145665 /nfs/dbraw/zinc/14/56/65/1084145665.db2.gz ZXAFBESLNMEMNM-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001671736285 1084163527 /nfs/dbraw/zinc/16/35/27/1084163527.db2.gz RCVPWYUKMVEVJC-JZXOWHBKSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001670984535 1084183727 /nfs/dbraw/zinc/18/37/27/1084183727.db2.gz AVCZRNBHZQJFCL-SFHVURJKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001491338225 1084241997 /nfs/dbraw/zinc/24/19/97/1084241997.db2.gz RNDIEIGXZYXVRK-ZBRFXRBCSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485833434 1084296506 /nfs/dbraw/zinc/29/65/06/1084296506.db2.gz UIWMAZXVVYBEIN-WBVHZDCISA-N 2 0 319.493 2.264 20 30 DEEDRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001277951007 1084454277 /nfs/dbraw/zinc/45/42/77/1084454277.db2.gz BUGPCCVNVYIPJQ-GOSISDBHSA-N 2 0 306.498 2.420 20 30 DEEDRP C=CC[NH2+]CCN1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001235794222 1084530842 /nfs/dbraw/zinc/53/08/42/1084530842.db2.gz KFYYRTXJAJSJIL-OAHLLOKOSA-N 2 0 324.266 2.171 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001486082926 1085048093 /nfs/dbraw/zinc/04/80/93/1085048093.db2.gz DVLYYEOQQQBGHP-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)[C@@H]1C ZINC001486087316 1085051075 /nfs/dbraw/zinc/05/10/75/1085051075.db2.gz IMSKUCCZUWAJHW-QAPCUYQASA-N 2 0 322.412 2.088 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486246928 1085163055 /nfs/dbraw/zinc/16/30/55/1085163055.db2.gz VHLSUIQRPINGOG-CVEARBPZSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001486438862 1085315251 /nfs/dbraw/zinc/31/52/51/1085315251.db2.gz CFGMWRJJVNXOEM-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001486449833 1085321594 /nfs/dbraw/zinc/32/15/94/1085321594.db2.gz RQFQIIQAGPSCSC-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001486484101 1085366111 /nfs/dbraw/zinc/36/61/11/1085366111.db2.gz VZNVYHWWUXEUNH-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP 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 1085918509 /nfs/dbraw/zinc/91/85/09/1085918509.db2.gz XDAAJGZZWJGUGK-XWTMOSNGSA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038875 1086064161 /nfs/dbraw/zinc/06/41/61/1086064161.db2.gz JUYKQRXJDNKYOR-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000963366759 1086428132 /nfs/dbraw/zinc/42/81/32/1086428132.db2.gz MTQFITHVFHJYGT-RDJZCZTQSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CCN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273145121 1086867353 /nfs/dbraw/zinc/86/73/53/1086867353.db2.gz UUPOKHNUBQCFIR-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957596536 1088445680 /nfs/dbraw/zinc/44/56/80/1088445680.db2.gz AVRUCYPEWFGHPF-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345621 1090273397 /nfs/dbraw/zinc/27/33/97/1090273397.db2.gz JEUAOTQTBJNFPF-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398557 1090289071 /nfs/dbraw/zinc/28/90/71/1090289071.db2.gz FONVLUWASSAVDG-KZNAEPCWSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001279160453 1090460706 /nfs/dbraw/zinc/46/07/06/1090460706.db2.gz DVJJHKGIYWTZQZ-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001274344922 1091195490 /nfs/dbraw/zinc/19/54/90/1091195490.db2.gz IJWKRXJXXFVENB-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001274459849 1091255486 /nfs/dbraw/zinc/25/54/86/1091255486.db2.gz FQLNTNUQSQSMEM-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276042252 1091470794 /nfs/dbraw/zinc/47/07/94/1091470794.db2.gz XTHWFHJGGPJAQW-HDICACEKSA-N 2 0 309.498 2.070 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001411252542 1091473320 /nfs/dbraw/zinc/47/33/20/1091473320.db2.gz KMNCNAOLGWOCMZ-UHFFFAOYSA-N 2 0 313.873 2.194 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001276146727 1091598108 /nfs/dbraw/zinc/59/81/08/1091598108.db2.gz JAWABXBEIYLURJ-MSOLQXFVSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001276201101 1091682227 /nfs/dbraw/zinc/68/22/27/1091682227.db2.gz ZWGJPSBRXAJCFB-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001273445293 1091769123 /nfs/dbraw/zinc/76/91/23/1091769123.db2.gz LJOAXWURTIISFX-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001490838456 1091816769 /nfs/dbraw/zinc/81/67/69/1091816769.db2.gz ZFJJTZYNBVMEJS-QZWWFDLISA-N 2 0 307.482 2.262 20 30 DEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001275588632 1091891240 /nfs/dbraw/zinc/89/12/40/1091891240.db2.gz GMJOHSUOSBSAJT-UHFFFAOYSA-N 2 0 318.490 2.079 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001273795743 1092054456 /nfs/dbraw/zinc/05/44/56/1092054456.db2.gz MVHLIAHLZHWYQQ-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001488646986 1092657050 /nfs/dbraw/zinc/65/70/50/1092657050.db2.gz HNAAPJYMWSFXEI-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001489053724 1092911723 /nfs/dbraw/zinc/91/17/23/1092911723.db2.gz WNKZFVAGXVHARK-IKGGRYGDSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001489331235 1093022877 /nfs/dbraw/zinc/02/28/77/1093022877.db2.gz QEEPUNYCDKARGE-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP CCc1cc(C#N)ccc1CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236931416 1138460085 /nfs/dbraw/zinc/46/00/85/1138460085.db2.gz GMGLJUSHTUVBKW-IBGZPJMESA-N 2 0 314.477 2.236 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001278250158 1138857842 /nfs/dbraw/zinc/85/78/42/1138857842.db2.gz IPOFDFXDYKCVAT-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001316654799 1139079776 /nfs/dbraw/zinc/07/97/76/1139079776.db2.gz KNSXWEDCLKLYBQ-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001319207676 1140526095 /nfs/dbraw/zinc/52/60/95/1140526095.db2.gz UKDLDOWDPUCMEX-HNNXBMFYSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001319378571 1140559596 /nfs/dbraw/zinc/55/95/96/1140559596.db2.gz DHQQCPMRPYDLBO-IRXDYDNUSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001319661623 1140647058 /nfs/dbraw/zinc/64/70/58/1140647058.db2.gz DFFFNJZLWZSUFR-SJORKVTESA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001319661620 1140647557 /nfs/dbraw/zinc/64/75/57/1140647557.db2.gz DFFFNJZLWZSUFR-DLBZAZTESA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001319695909 1140669456 /nfs/dbraw/zinc/66/94/56/1140669456.db2.gz ILHGJDZQBYFLHO-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001320090902 1140820506 /nfs/dbraw/zinc/82/05/06/1140820506.db2.gz FADLSQUJEUEBDY-LJQANCHMSA-N 2 0 315.461 2.215 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001246005566 1140844978 /nfs/dbraw/zinc/84/49/78/1140844978.db2.gz ZCLVQSRAQNNPHT-IKGGRYGDSA-N 2 0 300.487 2.191 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246024325 1140849261 /nfs/dbraw/zinc/84/92/61/1140849261.db2.gz UTAHIABLYQNQOX-IAGOWNOFSA-N 2 0 300.487 2.274 20 30 DEEDRP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246361466 1140888094 /nfs/dbraw/zinc/88/80/94/1140888094.db2.gz LLPAYMWSCVQWCU-DNVCBOLYSA-N 2 0 312.461 2.253 20 30 DEEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246642991 1141019670 /nfs/dbraw/zinc/01/96/70/1141019670.db2.gz NTPUCQCJXPZIJL-SOAGJPPSSA-N 2 0 324.472 2.028 20 30 DEEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321211537 1141086736 /nfs/dbraw/zinc/08/67/36/1141086736.db2.gz ZZPIGMKLDYYHBZ-JTGQJZMRSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278573287 1142217512 /nfs/dbraw/zinc/21/75/12/1142217512.db2.gz WYWWSJVTMQMXJH-CABCVRRESA-N 2 0 312.417 2.317 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278573728 1142218080 /nfs/dbraw/zinc/21/80/80/1142218080.db2.gz ZNXNMPYNIHBCKR-JKSUJKDBSA-N 2 0 324.428 2.154 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001278573888 1142220024 /nfs/dbraw/zinc/22/00/24/1142220024.db2.gz ZZYNCDXQLUJLNP-INIZCTEOSA-N 2 0 315.889 2.299 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001252499162 1142736257 /nfs/dbraw/zinc/73/62/57/1142736257.db2.gz WXOSXYBOJHPBTO-QRQLOZEOSA-N 2 0 318.461 2.050 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254522567 1143200842 /nfs/dbraw/zinc/20/08/42/1143200842.db2.gz ORXHYADGVPGDBK-SQNIBIBYSA-N 2 0 308.466 2.297 20 30 DEEDRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001254638763 1143293531 /nfs/dbraw/zinc/29/35/31/1143293531.db2.gz QLWXXHCMKSLDDG-APWZRJJASA-N 2 0 312.461 2.216 20 30 DEEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC([NH+]2CCOCC2)CC1 ZINC001256697541 1143863042 /nfs/dbraw/zinc/86/30/42/1143863042.db2.gz FFYITVXFQVMIKF-AOLVMYGFSA-N 2 0 303.450 2.396 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001263839174 1144407552 /nfs/dbraw/zinc/40/75/52/1144407552.db2.gz QKDHTGQBHCAITH-IYBDPMFKSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001263865842 1144416257 /nfs/dbraw/zinc/41/62/57/1144416257.db2.gz VYVDMSFXLCAGMY-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001263933458 1144425812 /nfs/dbraw/zinc/42/58/12/1144425812.db2.gz ZQFSBZHSNXOZEO-KSZLIROESA-N 2 0 319.493 2.005 20 30 DEEDRP 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 1144444593 /nfs/dbraw/zinc/44/45/93/1144444593.db2.gz UEDXTOUHUQRWHE-DJIMGWMZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001265684257 1144727354 /nfs/dbraw/zinc/72/73/54/1144727354.db2.gz QUYMCUVVCIRZKZ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001265697166 1144729865 /nfs/dbraw/zinc/72/98/65/1144729865.db2.gz PCXOSJLRGMCJGI-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265914775 1144756482 /nfs/dbraw/zinc/75/64/82/1144756482.db2.gz WJLBLWKSSMAKLP-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266010686 1144785106 /nfs/dbraw/zinc/78/51/06/1144785106.db2.gz MAJHAMKVTJSPPV-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266010439 1144785362 /nfs/dbraw/zinc/78/53/62/1144785362.db2.gz ISYSMUHFQXZCNQ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001279127062 1144818796 /nfs/dbraw/zinc/81/87/96/1144818796.db2.gz WMQRXNYEYYDFOU-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001279368055 1144821434 /nfs/dbraw/zinc/82/14/34/1144821434.db2.gz GPRBVBOJPUXGGY-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001280777199 1144854766 /nfs/dbraw/zinc/85/47/66/1144854766.db2.gz OCAJPFBOYWZESM-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001281035860 1144869452 /nfs/dbraw/zinc/86/94/52/1144869452.db2.gz DXCVQHABESVQLY-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001281457571 1144890938 /nfs/dbraw/zinc/89/09/38/1144890938.db2.gz PLAGTQXNERHZBU-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001281969962 1144925614 /nfs/dbraw/zinc/92/56/14/1144925614.db2.gz XTLJMCKHYWWGRS-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001282013459 1144928410 /nfs/dbraw/zinc/92/84/10/1144928410.db2.gz FLCMRBQDZOQQPA-UHFFFAOYSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001282819700 1145171391 /nfs/dbraw/zinc/17/13/91/1145171391.db2.gz DPWMNJOHDALGFL-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001283324814 1145362834 /nfs/dbraw/zinc/36/28/34/1145362834.db2.gz FYUMFHYZZMSIBD-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@@H]2C1 ZINC001364634625 1145392050 /nfs/dbraw/zinc/39/20/50/1145392050.db2.gz JCCDTGFICPIGAH-PWIZWCRZSA-N 2 0 324.472 2.457 20 30 DEEDRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@@H]2C1 ZINC001364634606 1145392810 /nfs/dbraw/zinc/39/28/10/1145392810.db2.gz JCCDTGFICPIGAH-DBVUQKKJSA-N 2 0 324.472 2.457 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001364739107 1145527826 /nfs/dbraw/zinc/52/78/26/1145527826.db2.gz XNEPUFYUTMGPIR-AEFFLSMTSA-N 2 0 304.482 2.171 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001284058068 1145779043 /nfs/dbraw/zinc/77/90/43/1145779043.db2.gz PDJQKCGFMZIZMA-LZLYRXPVSA-N 2 0 305.466 2.160 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001284150272 1145808021 /nfs/dbraw/zinc/80/80/21/1145808021.db2.gz ALUMHRQEDLKICV-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001284335002 1145838248 /nfs/dbraw/zinc/83/82/48/1145838248.db2.gz JIUGYJJTWFLIRI-HOTGVXAUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001284587828 1145875254 /nfs/dbraw/zinc/87/52/54/1145875254.db2.gz BXUQZQKNFOFHEN-SJORKVTESA-N 2 0 321.509 2.415 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491878086 1146947095 /nfs/dbraw/zinc/94/70/95/1146947095.db2.gz RHOYLPROIPQFTH-HZPDHXFCSA-N 2 0 319.493 2.290 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001366460808 1147294823 /nfs/dbraw/zinc/29/48/23/1147294823.db2.gz MSKRZOHCQLVIRX-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001316734479 1147358844 /nfs/dbraw/zinc/35/88/44/1147358844.db2.gz LUGMJRDNVBXOFL-YESZJQIVSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001316770389 1147596699 /nfs/dbraw/zinc/59/66/99/1147596699.db2.gz FVGGBNBAGRDHLI-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317045504 1147652238 /nfs/dbraw/zinc/65/22/38/1147652238.db2.gz QXWGCWLTBLULRD-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317382705 1147700151 /nfs/dbraw/zinc/70/01/51/1147700151.db2.gz UJHPNIIVJABWAD-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317673243 1147741874 /nfs/dbraw/zinc/74/18/74/1147741874.db2.gz BCKAJIUJYDKSPF-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001317686901 1147744024 /nfs/dbraw/zinc/74/40/24/1147744024.db2.gz SQUPBIRGUIJEKF-QGZVFWFLSA-N 2 0 307.482 2.099 20 30 DEEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317786476 1147752393 /nfs/dbraw/zinc/75/23/93/1147752393.db2.gz AQHKHSLEIUWAPN-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001325740154 1147993662 /nfs/dbraw/zinc/99/36/62/1147993662.db2.gz BFEIPOYMTPVZPQ-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001326555087 1148142775 /nfs/dbraw/zinc/14/27/75/1148142775.db2.gz KZFXHVDXUJCNNO-TVFCKZIOSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001326555282 1148143598 /nfs/dbraw/zinc/14/35/98/1148143598.db2.gz PDFGUIPOPSAOLC-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCC1 ZINC001326928131 1148292174 /nfs/dbraw/zinc/29/21/74/1148292174.db2.gz KHOLZNGISRGWGT-UHFFFAOYSA-N 2 0 313.445 2.014 20 30 DEEDRP CN1CC[NH+]=C1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262644519 529778947 /nfs/dbraw/zinc/77/89/47/529778947.db2.gz IRHJLNAGTHQEGA-UHFFFAOYSA-N 2 0 300.450 2.454 20 30 DEEDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000181857365 199363100 /nfs/dbraw/zinc/36/31/00/199363100.db2.gz HCBPIXLSMWZRFS-HNNXBMFYSA-N 2 0 300.450 2.235 20 30 DEEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000073078950 191277307 /nfs/dbraw/zinc/27/73/07/191277307.db2.gz VKSUZWJVQYNKEE-UHFFFAOYSA-N 2 0 316.449 2.056 20 30 DEEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])NC2CC2)C1 ZINC000066243173 354705796 /nfs/dbraw/zinc/70/57/96/354705796.db2.gz RYZRQBVNQFGBEU-AWEZNQCLSA-N 2 0 300.450 2.485 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC000073640458 354973095 /nfs/dbraw/zinc/97/30/95/354973095.db2.gz SAYZTJYOJMHGJS-KRWDZBQOSA-N 2 0 307.482 2.143 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC000073780465 354982095 /nfs/dbraw/zinc/98/20/95/354982095.db2.gz GPGDJNIMUHTHGR-AWEZNQCLSA-N 2 0 308.857 2.299 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687375 355443987 /nfs/dbraw/zinc/44/39/87/355443987.db2.gz WDNMEJZHHHJJGL-NVXWUHKLSA-N 2 0 305.466 2.018 20 30 DEEDRP CC[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC000083031385 355462445 /nfs/dbraw/zinc/46/24/45/355462445.db2.gz ZBWXZAFJQRXBAE-GOEBONIOSA-N 2 0 316.449 2.289 20 30 DEEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000598597676 359255225 /nfs/dbraw/zinc/25/52/25/359255225.db2.gz SURCOLRBPSJTRF-HYVNUMGLSA-N 2 0 305.466 2.236 20 30 DEEDRP C[C@@H](CCC#N)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000602617720 360459180 /nfs/dbraw/zinc/45/91/80/360459180.db2.gz ZLYHJUGTPZFOCS-KRWDZBQOSA-N 2 0 306.498 2.276 20 30 DEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000442781322 238074746 /nfs/dbraw/zinc/07/47/46/238074746.db2.gz ILPFNJUDWVXIMA-MSOLQXFVSA-N 2 0 313.445 2.425 20 30 DEEDRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442781606 238074903 /nfs/dbraw/zinc/07/49/03/238074903.db2.gz JKZXMJQGCAWHIW-IRXDYDNUSA-N 2 0 301.434 2.451 20 30 DEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CCOC)cc1 ZINC000268840540 207006718 /nfs/dbraw/zinc/00/67/18/207006718.db2.gz UEGHSEFLYCYIEK-INIZCTEOSA-N 2 0 304.434 2.318 20 30 DEEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000121149781 195300163 /nfs/dbraw/zinc/30/01/63/195300163.db2.gz GEMASCRZEKYWOJ-ZDUSSCGKSA-N 2 0 307.463 2.144 20 30 DEEDRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000104181744 402199794 /nfs/dbraw/zinc/19/97/94/402199794.db2.gz GVLPUNSTEHPSOR-GOSISDBHSA-N 2 0 314.477 2.352 20 30 DEEDRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)ccn2)CC1 ZINC000185781477 402376494 /nfs/dbraw/zinc/37/64/94/402376494.db2.gz JHKUDNZZCPVAPB-NVXWUHKLSA-N 2 0 313.449 2.005 20 30 DEEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000191396603 402666071 /nfs/dbraw/zinc/66/60/71/402666071.db2.gz UOKOHTCIXWJRTB-UHFFFAOYSA-N 2 0 314.477 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266918537 402999830 /nfs/dbraw/zinc/99/98/30/402999830.db2.gz LCYSQFPZOZLADN-UHFFFAOYSA-N 2 0 303.450 2.325 20 30 DEEDRP C#CCOc1ccc(C[NH2+]C[C@H](CC[NH+](C)C)OCC)cc1 ZINC000267847757 403041170 /nfs/dbraw/zinc/04/11/70/403041170.db2.gz DRPFFUOKJZRXNJ-SFHVURJKSA-N 2 0 304.434 2.145 20 30 DEEDRP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286023566 403432814 /nfs/dbraw/zinc/43/28/14/403432814.db2.gz JXPHJHGYSVIJCR-OAHLLOKOSA-N 2 0 300.450 2.457 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347128170 403616850 /nfs/dbraw/zinc/61/68/50/403616850.db2.gz WNAMVBLEIHLOSW-DOTOQJQBSA-N 2 0 315.417 2.124 20 30 DEEDRP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414777522 404732122 /nfs/dbraw/zinc/73/21/22/404732122.db2.gz FUUZAVSEJFAXJF-KRWDZBQOSA-N 2 0 316.445 2.439 20 30 DEEDRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424194183 405037232 /nfs/dbraw/zinc/03/72/32/405037232.db2.gz RWSGGVVNQFHTSR-KRWDZBQOSA-N 2 0 316.449 2.118 20 30 DEEDRP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367102 405780755 /nfs/dbraw/zinc/78/07/55/405780755.db2.gz CXQWLDDJYHVGPU-DNVCBOLYSA-N 2 0 312.461 2.253 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@H]2CC[N@H+](C)C2)CC1 ZINC000645264950 407255466 /nfs/dbraw/zinc/25/54/66/407255466.db2.gz QDRXSLLKIGGUTP-KRWDZBQOSA-N 2 0 322.497 2.153 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000571550760 292556274 /nfs/dbraw/zinc/55/62/74/292556274.db2.gz WVTQSJFTYCCPCP-LHUBUQBQSA-N 2 0 314.433 2.360 20 30 DEEDRP C[NH+](C)CCOc1ccc(CCNC(=[NH2+])NC2CCCC2)cc1 ZINC000264316317 225313626 /nfs/dbraw/zinc/31/36/26/225313626.db2.gz WGSSQDCGIXTBES-UHFFFAOYSA-N 2 0 318.465 2.016 20 30 DEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657872344 425412614 /nfs/dbraw/zinc/41/26/14/425412614.db2.gz NCNNFCMIQCMJKQ-IXDOHACOSA-N 2 0 307.482 2.298 20 30 DEEDRP C=CCC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CC1 ZINC000665287159 425535823 /nfs/dbraw/zinc/53/58/23/425535823.db2.gz DAESKDMNQSQMOX-KRWDZBQOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@@]1(C(=O)NCc2ccccc2C[NH+](C)C)CCC[NH2+]1 ZINC000662670319 425708373 /nfs/dbraw/zinc/70/83/73/425708373.db2.gz FZKQEJXRSKHKSA-SFHVURJKSA-N 2 0 301.434 2.063 20 30 DEEDRP C=CC[C@]1(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662674196 425709040 /nfs/dbraw/zinc/70/90/40/425709040.db2.gz ZKIQYPXAWKUOTN-GOSISDBHSA-N 2 0 317.433 2.264 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCC[NH2+]1 ZINC000662680725 425710599 /nfs/dbraw/zinc/71/05/99/425710599.db2.gz WNOPUKSREAGWEH-FUHWJXTLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH+](CC)CC)CC1 ZINC000106327752 277775531 /nfs/dbraw/zinc/77/55/31/277775531.db2.gz WVSIEYMAGVBOMN-UHFFFAOYSA-N 2 0 310.486 2.058 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939205 782062085 /nfs/dbraw/zinc/06/20/85/782062085.db2.gz DBAMFDFOJMLARJ-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000517233842 340466324 /nfs/dbraw/zinc/46/63/24/340466324.db2.gz FIYCDGBVSFLEAE-GJZGRUSLSA-N 2 0 322.840 2.080 20 30 DEEDRP CN1CC[NH+]=C1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261548121 341302797 /nfs/dbraw/zinc/30/27/97/341302797.db2.gz NAVFWUFWSPENJZ-KRWDZBQOSA-N 2 0 300.450 2.180 20 30 DEEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)N1 ZINC000261556220 341360433 /nfs/dbraw/zinc/36/04/33/341360433.db2.gz VSRMQJHQOZAURP-NVXWUHKLSA-N 2 0 300.450 2.226 20 30 DEEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001329935532 1149018804 /nfs/dbraw/zinc/01/88/04/1149018804.db2.gz DLSXYOUOGAZHEU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001399375183 1161368498 /nfs/dbraw/zinc/36/84/98/1161368498.db2.gz KODNRLUGHYSRGM-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001330210461 1149071293 /nfs/dbraw/zinc/07/12/93/1149071293.db2.gz POPDXHXRNCLUJH-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2CCCCC2)cc1OC ZINC000264077684 533989888 /nfs/dbraw/zinc/98/98/88/533989888.db2.gz HSJJVVFDVDYJOY-UHFFFAOYSA-N 2 0 320.437 2.306 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1coc(C[NH3+])c1)C(C)C ZINC000188082831 527646621 /nfs/dbraw/zinc/64/66/21/527646621.db2.gz LMSIJBFZTWDVFZ-INIZCTEOSA-N 2 0 305.422 2.167 20 30 DEEDRP CCCNC(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000264089983 528161225 /nfs/dbraw/zinc/16/12/25/528161225.db2.gz KQWAWPMJQLWTCP-UHFFFAOYSA-N 2 0 318.465 2.222 20 30 DEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)C1 ZINC000264078804 528249338 /nfs/dbraw/zinc/24/93/38/528249338.db2.gz GPRMUNFHYZPCML-ZDUSSCGKSA-N 2 0 320.437 2.162 20 30 DEEDRP CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000267458870 528413290 /nfs/dbraw/zinc/41/32/90/528413290.db2.gz UITJKJPLCAFJPI-AWEZNQCLSA-N 2 0 322.428 2.113 20 30 DEEDRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)CCC#N)CC[NH2+]CC1 ZINC000423134148 528611373 /nfs/dbraw/zinc/61/13/73/528611373.db2.gz WTTIHVRTIYNITK-AWEZNQCLSA-N 2 0 309.454 2.227 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261899601 529100204 /nfs/dbraw/zinc/10/02/04/529100204.db2.gz WJQPGYYNJKUZII-OLZOCXBDSA-N 2 0 302.413 2.201 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC ZINC000264109266 529101080 /nfs/dbraw/zinc/10/10/80/529101080.db2.gz QFVPNOPMPWXZIC-AWEZNQCLSA-N 2 0 324.856 2.237 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470507 625465591 /nfs/dbraw/zinc/46/55/91/625465591.db2.gz YKINQCMEEIICOZ-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969783418 622920125 /nfs/dbraw/zinc/92/01/25/622920125.db2.gz UAUZHFHEJFNDGW-ZDUSSCGKSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832836 622942357 /nfs/dbraw/zinc/94/23/57/622942357.db2.gz JWDUBRBUHLMMRX-DLBZAZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001020752236 623109037 /nfs/dbraw/zinc/10/90/37/623109037.db2.gz DABUYKWUSQPERZ-WKILWMFISA-N 2 0 321.852 2.351 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947474026 624643101 /nfs/dbraw/zinc/64/31/01/624643101.db2.gz PNAUATNSIWBNFU-HIFRSBDPSA-N 2 0 312.417 2.411 20 30 DEEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024751027 625034365 /nfs/dbraw/zinc/03/43/65/625034365.db2.gz AYVFVSNVHCRSBC-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972479154 625113784 /nfs/dbraw/zinc/11/37/84/625113784.db2.gz RYAMQONVJSVFMG-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972479153 625113850 /nfs/dbraw/zinc/11/38/50/625113850.db2.gz RYAMQONVJSVFMG-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975402 625122845 /nfs/dbraw/zinc/12/28/45/625122845.db2.gz KWBCOUCJIPSCFL-BYNSBNAKSA-N 2 0 313.873 2.096 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453581 625274811 /nfs/dbraw/zinc/27/48/11/625274811.db2.gz BXYRLIUXFCLIKM-INIZCTEOSA-N 2 0 324.428 2.108 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436424 625762995 /nfs/dbraw/zinc/76/29/95/625762995.db2.gz CVUBSWDMPQRPKY-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974746728 633279144 /nfs/dbraw/zinc/27/91/44/633279144.db2.gz PTZBOKKCARBBHH-KRWDZBQOSA-N 2 0 324.428 2.106 20 30 DEEDRP 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 633382204 /nfs/dbraw/zinc/38/22/04/633382204.db2.gz SCGQSSLNTPDWJP-HRCADAONSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001027461768 633829394 /nfs/dbraw/zinc/82/93/94/633829394.db2.gz PBAYONPTURQYFK-MRXNPFEDSA-N 2 0 318.465 2.426 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977456806 633994416 /nfs/dbraw/zinc/99/44/16/633994416.db2.gz VOJXJXZCRFWJQL-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997874088 634016389 /nfs/dbraw/zinc/01/63/89/634016389.db2.gz KBNCQIASZFLUCZ-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006288 634107159 /nfs/dbraw/zinc/10/71/59/634107159.db2.gz KLEUKFLOEUOJAE-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980523174 635034309 /nfs/dbraw/zinc/03/43/09/635034309.db2.gz DVNGIFQBIVJMEE-OAHLLOKOSA-N 2 0 319.449 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000374649 635162758 /nfs/dbraw/zinc/16/27/58/635162758.db2.gz WEKWFGJAIYVKNE-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000683503 635275920 /nfs/dbraw/zinc/27/59/20/635275920.db2.gz ULDZXKVVEWKSSA-MSOLQXFVSA-N 2 0 317.477 2.185 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194257 635360412 /nfs/dbraw/zinc/36/04/12/635360412.db2.gz JSJDGLRAUMTPID-HOTGVXAUSA-N 2 0 305.466 2.208 20 30 DEEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001229146 635431026 /nfs/dbraw/zinc/43/10/26/635431026.db2.gz HHYSJJUNWCASOZ-SFHVURJKSA-N 2 0 317.477 2.021 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(C)C)C2)CC1 ZINC000981540559 635523013 /nfs/dbraw/zinc/52/30/13/635523013.db2.gz DTZCLGUSKUAGKD-ZWKOTPCHSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981688463 635589331 /nfs/dbraw/zinc/58/93/31/635589331.db2.gz ZWVVSRCZKGXGJZ-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000981778379 635642333 /nfs/dbraw/zinc/64/23/33/635642333.db2.gz JSCHOCJFLZWVSI-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002809511 635802042 /nfs/dbraw/zinc/80/20/42/635802042.db2.gz HFQLATMOUWSWQS-NVXWUHKLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052381 635846028 /nfs/dbraw/zinc/84/60/28/635846028.db2.gz HUQDMZIEIHYADT-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982226872 635914386 /nfs/dbraw/zinc/91/43/86/635914386.db2.gz BJCKUFYOJQKRFN-UHFFFAOYSA-N 2 0 301.434 2.082 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028251703 635960326 /nfs/dbraw/zinc/96/03/26/635960326.db2.gz JWIPVOAXDCOXAT-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028331750 636132755 /nfs/dbraw/zinc/13/27/55/636132755.db2.gz KJYMXHVTAOMMBS-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774858 636135286 /nfs/dbraw/zinc/13/52/86/636135286.db2.gz HVTZOXKRFAQROU-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004458815 636459750 /nfs/dbraw/zinc/45/97/50/636459750.db2.gz QWKSIFYPNHJZAM-QZTJIDSGSA-N 2 0 319.493 2.216 20 30 DEEDRP CN(C)C(=[NH+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)N(C)C ZINC000261969060 640659224 /nfs/dbraw/zinc/65/92/24/640659224.db2.gz CIGVNCJBZXMVPJ-UHFFFAOYSA-N 2 0 302.466 2.303 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990785838 642070338 /nfs/dbraw/zinc/07/03/38/642070338.db2.gz AAGRTIVDIBDWMI-MTNOOBJLSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000899972544 642224319 /nfs/dbraw/zinc/22/43/19/642224319.db2.gz NRSRLLBBAJAAQU-UHFFFAOYSA-N 2 0 315.461 2.147 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)cc1 ZINC000902470997 643051308 /nfs/dbraw/zinc/05/13/08/643051308.db2.gz IUILIOJCMGQSRI-IPMKNSEASA-N 2 0 310.445 2.005 20 30 DEEDRP N#CC1(CCCC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC000903759995 643451951 /nfs/dbraw/zinc/45/19/51/643451951.db2.gz DNCDAXJINUEABW-INIZCTEOSA-N 2 0 316.453 2.238 20 30 DEEDRP C[C@@H]1CNC(NN=C2CCC([N@H+](C)Cc3ccccc3)CC2)=[NH+]1 ZINC000797786112 644923603 /nfs/dbraw/zinc/92/36/03/644923603.db2.gz HLEUYTZPXXEZGN-XPCCGILXSA-N 2 0 313.449 2.354 20 30 DEEDRP CC(C)[N@@H+]1CC[C@H](CNC(NC[C@H]2CCCO2)=[NH+]C(C)(C)C)C1 ZINC000912506785 646090363 /nfs/dbraw/zinc/09/03/63/646090363.db2.gz BWOAZUOWZRUCII-HZPDHXFCSA-N 2 0 324.513 2.229 20 30 DEEDRP COc1ccc(CNC(NC(C)(C)C)=[NH+]C[C@@H](C)[NH+](C)C)cc1 ZINC000912509235 646090969 /nfs/dbraw/zinc/09/09/69/646090969.db2.gz YDKKCYHGQYGHLA-CQSZACIVSA-N 2 0 320.481 2.479 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(NC[C@H]2CCCO2)=[NH+]C(C)(C)C)C1 ZINC000912509174 646091292 /nfs/dbraw/zinc/09/12/92/646091292.db2.gz VTQFSXQWSBLWEY-HZPDHXFCSA-N 2 0 324.513 2.231 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CC1 ZINC000151416241 646376139 /nfs/dbraw/zinc/37/61/39/646376139.db2.gz GXOLQAINDSYBNJ-QGZVFWFLSA-N 2 0 314.477 2.398 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136589 646867624 /nfs/dbraw/zinc/86/76/24/646867624.db2.gz KNWUSUUZGMDAEX-CUSZFKRNSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136593 646867890 /nfs/dbraw/zinc/86/78/90/646867890.db2.gz KNWUSUUZGMDAEX-NBOOPKSLSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992145250 646871364 /nfs/dbraw/zinc/87/13/64/646871364.db2.gz PRRIQBWLCPGVQU-WMZOPIPTSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC000992833916 647296037 /nfs/dbraw/zinc/29/60/37/647296037.db2.gz MKKVHFJFMSBOCE-KZNAEPCWSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948244725 648836090 /nfs/dbraw/zinc/83/60/90/648836090.db2.gz IYSIAIMGCJTLDE-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940738043 648935675 /nfs/dbraw/zinc/93/56/75/648935675.db2.gz VFTCBVLAHYKXER-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940913704 648967385 /nfs/dbraw/zinc/96/73/85/648967385.db2.gz GBULGPUIYYMBGQ-IAGOWNOFSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942054569 649145770 /nfs/dbraw/zinc/14/57/70/649145770.db2.gz XLVZUMUUJQXHJT-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943288942 649359340 /nfs/dbraw/zinc/35/93/40/649359340.db2.gz NYRXTCNXVSSUDD-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943514985 649386974 /nfs/dbraw/zinc/38/69/74/649386974.db2.gz DRZNZZNOMFUXSI-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP CN(C)C(NCc1ccccc1)=[NH+]CC[C@H]1CCC[N@H+](C)C1 ZINC000849041100 651592296 /nfs/dbraw/zinc/59/22/96/651592296.db2.gz KFDHNBLNLPJFBK-QGZVFWFLSA-N 2 0 302.466 2.426 20 30 DEEDRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852868413 652473055 /nfs/dbraw/zinc/47/30/55/652473055.db2.gz SBKBSUJFCDBKFJ-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304743649 685258845 /nfs/dbraw/zinc/25/88/45/685258845.db2.gz DGEIXLPZECPJDH-OAHLLOKOSA-N 2 0 304.438 2.146 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(F)c2)CC1 ZINC000304741450 685259115 /nfs/dbraw/zinc/25/91/15/685259115.db2.gz CDNCQWQFILJVOU-MRXNPFEDSA-N 2 0 318.440 2.246 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(C)c1 ZINC000304792564 685262197 /nfs/dbraw/zinc/26/21/97/685262197.db2.gz LCKWDTWOJWNUNG-HZPDHXFCSA-N 2 0 318.465 2.151 20 30 DEEDRP CC(C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCC1 ZINC000303788596 685235480 /nfs/dbraw/zinc/23/54/80/685235480.db2.gz UIFSMMWPRVYSQD-QGZVFWFLSA-N 2 0 302.466 2.254 20 30 DEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303878303 685236232 /nfs/dbraw/zinc/23/62/32/685236232.db2.gz FXOULFSJMGIGGW-GASCZTMLSA-N 2 0 312.527 2.108 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303886656 685237501 /nfs/dbraw/zinc/23/75/01/685237501.db2.gz KLRMILWJWJJCIF-CYBMUJFWSA-N 2 0 320.437 2.162 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(Cl)c1 ZINC000303891931 685239268 /nfs/dbraw/zinc/23/92/68/685239268.db2.gz RAWNOPLQZHDZBK-AWEZNQCLSA-N 2 0 324.856 2.107 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016697810 687684332 /nfs/dbraw/zinc/68/43/32/687684332.db2.gz INOCJRVOQUPTQQ-KRWDZBQOSA-N 2 0 324.428 2.413 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016710043 687688177 /nfs/dbraw/zinc/68/81/77/687688177.db2.gz PQCJUGBQFUCESY-KRWDZBQOSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016982865 687749217 /nfs/dbraw/zinc/74/92/17/687749217.db2.gz MQZFBOCCOJGWIV-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031229 688033489 /nfs/dbraw/zinc/03/34/89/688033489.db2.gz AMJNTHWQYAFDAT-HDICACEKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001020151193 688475041 /nfs/dbraw/zinc/47/50/41/688475041.db2.gz OUJBJPORRLDTGA-HDJSIYSDSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155968 688940584 /nfs/dbraw/zinc/94/05/84/688940584.db2.gz BPKKXIQWZKDNHG-ZMSDIMECSA-N 2 0 307.482 2.297 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033273331 689447466 /nfs/dbraw/zinc/44/74/66/689447466.db2.gz UANXXPKIOLDEJL-KRWDZBQOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684356 689583400 /nfs/dbraw/zinc/58/34/00/689583400.db2.gz NMWAIVQETNHUNA-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932917 689666655 /nfs/dbraw/zinc/66/66/55/689666655.db2.gz UMJXRGAPKGFYCY-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033937990 689668378 /nfs/dbraw/zinc/66/83/78/689668378.db2.gz RJPHTXZSEWQQBT-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250498 689781393 /nfs/dbraw/zinc/78/13/93/689781393.db2.gz RBRZNELTYIFMBP-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328818 689810707 /nfs/dbraw/zinc/81/07/07/689810707.db2.gz DUPYUSFSELJMQU-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034436715 689850219 /nfs/dbraw/zinc/85/02/19/689850219.db2.gz BETULQFOZQIIIK-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000876733013 689919951 /nfs/dbraw/zinc/91/99/51/689919951.db2.gz MAUCEDBCUMARRT-ZDUSSCGKSA-N 2 0 301.862 2.037 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001034777045 689946022 /nfs/dbraw/zinc/94/60/22/689946022.db2.gz NVSMFIJFFCVSBA-LUKYLMHMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000876876452 689961753 /nfs/dbraw/zinc/96/17/53/689961753.db2.gz PQRDGAHUWOEASL-AWEZNQCLSA-N 2 0 301.862 2.035 20 30 DEEDRP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000877200155 690043904 /nfs/dbraw/zinc/04/39/04/690043904.db2.gz GYKPONPVBUBXQS-INIZCTEOSA-N 2 0 308.470 2.024 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035226705 690065391 /nfs/dbraw/zinc/06/53/91/690065391.db2.gz KOQUOWLBCKCLTL-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035710645 690158016 /nfs/dbraw/zinc/15/80/16/690158016.db2.gz OJHSEMJKBVSVCO-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035710503 690158024 /nfs/dbraw/zinc/15/80/24/690158024.db2.gz MFGXLYBLMMBUBM-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035724854 690161661 /nfs/dbraw/zinc/16/16/61/690161661.db2.gz AXTUECMXRCQYIO-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035823802 690185671 /nfs/dbraw/zinc/18/56/71/690185671.db2.gz MPXKNZBDHBBDTD-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001036306749 690316424 /nfs/dbraw/zinc/31/64/24/690316424.db2.gz YMDQEUCDJZQORH-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878368672 690388869 /nfs/dbraw/zinc/38/88/69/690388869.db2.gz MLFUGOCUTUTGPG-SFHVURJKSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[C@H]1[N@H+](CC(=O)NC2CC[NH+](C)CC2)CCCC1(C)C ZINC000878515818 690429472 /nfs/dbraw/zinc/42/94/72/690429472.db2.gz IOCKLKRWESPXNA-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762299 690463556 /nfs/dbraw/zinc/46/35/56/690463556.db2.gz IDPRIXVVOLNQSK-DOTOQJQBSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773547 690469805 /nfs/dbraw/zinc/46/98/05/690469805.db2.gz PHSFXJWLODCWDS-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810152 690481364 /nfs/dbraw/zinc/48/13/64/690481364.db2.gz WPVTVSPMVBWZNO-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP CC(C)C[N@H+](CCC(=O)N(C)CCC#N)CC1CC[NH+](C)CC1 ZINC000879702982 690709972 /nfs/dbraw/zinc/70/99/72/690709972.db2.gz AVQMLJMZSZTDLK-UHFFFAOYSA-N 2 0 322.497 2.048 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038779835 690924650 /nfs/dbraw/zinc/92/46/50/690924650.db2.gz KQJWRAIXBLWIOC-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173384 691038969 /nfs/dbraw/zinc/03/89/69/691038969.db2.gz VMNQKKFGHABXCQ-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001039298432 691076686 /nfs/dbraw/zinc/07/66/86/691076686.db2.gz WOSOGQNGFKSVNG-XYTVBORESA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039307766 691078367 /nfs/dbraw/zinc/07/83/67/691078367.db2.gz YBZIJIWQQYKDJX-XYTVBORESA-N 2 0 305.466 2.016 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406465 691100435 /nfs/dbraw/zinc/10/04/35/691100435.db2.gz VCQLGTJOCXDPTP-AEFFLSMTSA-N 2 0 322.412 2.037 20 30 DEEDRP 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 691103444 /nfs/dbraw/zinc/10/34/44/691103444.db2.gz FOFXDXKGUCDGHJ-FJIDUMEYSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428651 691104157 /nfs/dbraw/zinc/10/41/57/691104157.db2.gz XWJQSJHRIRNWHC-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040201689 691212924 /nfs/dbraw/zinc/21/29/24/691212924.db2.gz NGLFISZTVDZIBQ-MJGOQNOKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040230806 691216604 /nfs/dbraw/zinc/21/66/04/691216604.db2.gz GBFYTXKXSUMWCE-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241714 691219225 /nfs/dbraw/zinc/21/92/25/691219225.db2.gz RPLFHQKQFFKDFN-IEBWSBKVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282643 691225582 /nfs/dbraw/zinc/22/55/82/691225582.db2.gz XTVPSPGCUCFOFK-IBGZPJMESA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040493266 691256069 /nfs/dbraw/zinc/25/60/69/691256069.db2.gz JFISKPRXGXGSCG-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040735589 691284078 /nfs/dbraw/zinc/28/40/78/691284078.db2.gz TUQPWKGOWGRBLE-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041356860 691366649 /nfs/dbraw/zinc/36/66/49/691366649.db2.gz CJWCFOMVKMEZBU-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041692809 691410771 /nfs/dbraw/zinc/41/07/71/691410771.db2.gz OFHOHJKSVQOSKG-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042134274 691517071 /nfs/dbraw/zinc/51/70/71/691517071.db2.gz OEMTXMKCNQHYBA-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042132744 691517626 /nfs/dbraw/zinc/51/76/26/691517626.db2.gz HUYGMEIJHJKDTJ-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042154870 691524661 /nfs/dbraw/zinc/52/46/61/691524661.db2.gz AVWVFNBWUKCGCC-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216151 691538021 /nfs/dbraw/zinc/53/80/21/691538021.db2.gz MKXDCZLDRTWVRK-SJLPKXTDSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234953 691542955 /nfs/dbraw/zinc/54/29/55/691542955.db2.gz PVBZUDKORXIUEC-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256775 691550455 /nfs/dbraw/zinc/55/04/55/691550455.db2.gz ZMMNDJOWDOVDDP-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001044656059 691866317 /nfs/dbraw/zinc/86/63/17/691866317.db2.gz ABVWSVOMSAWDFE-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC001044656060 691866462 /nfs/dbraw/zinc/86/64/62/691866462.db2.gz ABVWSVOMSAWDFE-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001044800652 691888740 /nfs/dbraw/zinc/88/87/40/691888740.db2.gz LSACZXMFQYVMJH-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438921 691981141 /nfs/dbraw/zinc/98/11/41/691981141.db2.gz WZZMULRJCXIRHC-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921418 692051468 /nfs/dbraw/zinc/05/14/68/692051468.db2.gz LEKRBPCOIFEONM-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369132 692168301 /nfs/dbraw/zinc/16/83/01/692168301.db2.gz POROFRDAGIQUHM-FUHWJXTLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739596 692280263 /nfs/dbraw/zinc/28/02/63/692280263.db2.gz QKMHCMJYOWNNPV-GOSISDBHSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761654 692290156 /nfs/dbraw/zinc/29/01/56/692290156.db2.gz ZFPADZXHXQSUNE-LJQANCHMSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172462 692779443 /nfs/dbraw/zinc/77/94/43/692779443.db2.gz WWIQKTJILDNDTL-ZJPYXAASSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 692795781 /nfs/dbraw/zinc/79/57/81/692795781.db2.gz UEQUERMTDORLHC-USTZCAOPSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049464585 692890178 /nfs/dbraw/zinc/89/01/78/692890178.db2.gz NWGROOJXYNQLTB-BBWFWOEESA-N 2 0 305.466 2.111 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572764 692926453 /nfs/dbraw/zinc/92/64/53/692926453.db2.gz OFDZTRLFHHZDDU-ZWKOTPCHSA-N 2 0 322.412 2.037 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572575 692926541 /nfs/dbraw/zinc/92/65/41/692926541.db2.gz MFWGUEQOENTORA-ROUUACIJSA-N 2 0 322.412 2.037 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049693871 692966929 /nfs/dbraw/zinc/96/69/29/692966929.db2.gz PLDFEVMMCDXMEE-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050139755 693118836 /nfs/dbraw/zinc/11/88/36/693118836.db2.gz GCROMPRKNSPWJP-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663396 693227601 /nfs/dbraw/zinc/22/76/01/693227601.db2.gz SRTBKDZLOFMDGH-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052427166 693531822 /nfs/dbraw/zinc/53/18/22/693531822.db2.gz WNBXSBUUIDAXRR-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052499341 693550705 /nfs/dbraw/zinc/55/07/05/693550705.db2.gz UBABXUXEUZVPGE-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC)CC2)CC1 ZINC001052954315 693655790 /nfs/dbraw/zinc/65/57/90/693655790.db2.gz MUEWSBXSKIZAIC-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCC1 ZINC001380859544 1152867481 /nfs/dbraw/zinc/86/74/81/1152867481.db2.gz PRGKSBAHUJKRCF-CQSZACIVSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376967672 1159859477 /nfs/dbraw/zinc/85/94/77/1159859477.db2.gz HYCRMQBRCHCCHB-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001400075941 1161647623 /nfs/dbraw/zinc/64/76/23/1161647623.db2.gz BEYWWLUNMRTHTP-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001406176812 1164493713 /nfs/dbraw/zinc/49/37/13/1164493713.db2.gz FNMSPAAVPRNGCW-CABCVRRESA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001418160751 1167450441 /nfs/dbraw/zinc/45/04/41/1167450441.db2.gz CRCUKHCOHWBKBB-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001419236742 1168335357 /nfs/dbraw/zinc/33/53/57/1168335357.db2.gz BUXFDMBOXKANJO-CYBMUJFWSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419810725 1168856072 /nfs/dbraw/zinc/85/60/72/1168856072.db2.gz ZLZXPSPSIGGNMI-GJZGRUSLSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001421432303 1171794526 /nfs/dbraw/zinc/79/45/26/1171794526.db2.gz NRDPCMSEZMCSIG-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001422061076 1172264894 /nfs/dbraw/zinc/26/48/94/1172264894.db2.gz PKVJYXBMSDYWMA-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001424576242 1173839384 /nfs/dbraw/zinc/83/93/84/1173839384.db2.gz KMFVHTZLKVRRLC-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC001434529223 1178784507 /nfs/dbraw/zinc/78/45/07/1178784507.db2.gz UQIFOYIPOFNBIO-KRWDZBQOSA-N 2 0 314.433 2.138 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001439766097 1181227001 /nfs/dbraw/zinc/22/70/01/1181227001.db2.gz UHTXKUYGODVMMG-KBPBESRZSA-N 2 0 301.862 2.048 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001440877283 1181740004 /nfs/dbraw/zinc/74/00/04/1181740004.db2.gz OGJZIXWCIHEDSD-CHWSQXEVSA-N 2 0 324.856 2.340 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001441663481 1182120155 /nfs/dbraw/zinc/12/01/55/1182120155.db2.gz XMYOMJIZFXRRQF-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121245416 782275220 /nfs/dbraw/zinc/27/52/20/782275220.db2.gz FQFHTFGBPYLQJC-UHFFFAOYSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001332217563 1149836062 /nfs/dbraw/zinc/83/60/62/1149836062.db2.gz IHRRNEIQDYLNKI-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257139 782385573 /nfs/dbraw/zinc/38/55/73/782385573.db2.gz VGAFUOOZANDJQI-IRXDYDNUSA-N 2 0 307.482 2.313 20 30 DEEDRP 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 782568400 /nfs/dbraw/zinc/56/84/00/782568400.db2.gz LUCOJXDXVDUDIK-KZNAEPCWSA-N 2 0 321.509 2.225 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660494 782837533 /nfs/dbraw/zinc/83/75/33/782837533.db2.gz PDWPEXFDDBPNMG-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840652 782982321 /nfs/dbraw/zinc/98/23/21/782982321.db2.gz YUCRKNSJTSSLHG-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524421 783003116 /nfs/dbraw/zinc/00/31/16/783003116.db2.gz VGRLONGIQOWHPN-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389789 783063613 /nfs/dbraw/zinc/06/36/13/783063613.db2.gz VXLZGBLECKYPNN-OWCLPIDISA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947471406 783146417 /nfs/dbraw/zinc/14/64/17/783146417.db2.gz BTTDIYCMBBJVQT-GOEBONIOSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947494542 783153072 /nfs/dbraw/zinc/15/30/72/783153072.db2.gz ZBRYDXMFEQHOPE-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089565439 783213823 /nfs/dbraw/zinc/21/38/23/783213823.db2.gz SAYXSWKIZWXQGE-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC001073048800 790416809 /nfs/dbraw/zinc/41/68/09/790416809.db2.gz JOTCBNZFQVBNMN-OAHLLOKOSA-N 2 0 316.449 2.089 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050039 790417968 /nfs/dbraw/zinc/41/79/68/790417968.db2.gz HEBKWNOKVWPPGJ-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104265037 776860796 /nfs/dbraw/zinc/86/07/96/776860796.db2.gz QFWOEWJCTYUBLL-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536189 777180952 /nfs/dbraw/zinc/18/09/52/777180952.db2.gz OEEPPNNOKKBNLG-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001100599510 777389611 /nfs/dbraw/zinc/38/96/11/777389611.db2.gz ZTSWCPHESVXURS-CGZBRXJRSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171062059 790540343 /nfs/dbraw/zinc/54/03/43/790540343.db2.gz YWXCUUKIHPNCQM-CABCVRRESA-N 2 0 301.450 2.117 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104593495 777955911 /nfs/dbraw/zinc/95/59/11/777955911.db2.gz BCPGITSWVYLNMH-HUUCEWRRSA-N 2 0 319.449 2.215 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104681992 778020400 /nfs/dbraw/zinc/02/04/00/778020400.db2.gz WISLGNKVKXAJPH-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167736718 778232444 /nfs/dbraw/zinc/23/24/44/778232444.db2.gz HPDMNGPUDBBLKD-INIZCTEOSA-N 2 0 307.482 2.171 20 30 DEEDRP C[NH+]1CCC(CC[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC001207479551 778285386 /nfs/dbraw/zinc/28/53/86/778285386.db2.gz KABOHIYKSJKCBY-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001167834114 778683681 /nfs/dbraw/zinc/68/36/81/778683681.db2.gz HOOIALSFFLQDAS-HNNXBMFYSA-N 2 0 309.454 2.276 20 30 DEEDRP N#Cc1cc2ccc(NC(=[NH2+])NCCCC[NH3+])cc2cc1C#N ZINC001167880865 778744523 /nfs/dbraw/zinc/74/45/23/778744523.db2.gz ADBQTADXSZLMSY-UHFFFAOYSA-N 2 0 306.373 2.258 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171121536 790693222 /nfs/dbraw/zinc/69/32/22/790693222.db2.gz UTLBTGYURLMHGY-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699693 779414461 /nfs/dbraw/zinc/41/44/61/779414461.db2.gz HDZNNABCZUVJMA-LUKYLMHMSA-N 2 0 307.482 2.262 20 30 DEEDRP 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 779584982 /nfs/dbraw/zinc/58/49/82/779584982.db2.gz RGYZBLGGWIDGAL-ZJPYXAASSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 779685236 /nfs/dbraw/zinc/68/52/36/779685236.db2.gz AGNNFGOYOWPJNG-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101589313 780462067 /nfs/dbraw/zinc/46/20/67/780462067.db2.gz HOBKGGHHLNNBEO-MRXNPFEDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622278 780662699 /nfs/dbraw/zinc/66/26/99/780662699.db2.gz OKMZMNATOSXVQD-PVAVHDDUSA-N 2 0 305.466 2.158 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168326799 780843215 /nfs/dbraw/zinc/84/32/15/780843215.db2.gz LUTLXKBAUXOUNG-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076161883 781152125 /nfs/dbraw/zinc/15/21/25/781152125.db2.gz VCSYFHPXSBAPKD-RCCFBDPRSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076161974 781152604 /nfs/dbraw/zinc/15/26/04/781152604.db2.gz XMBYMUMUZQAQSO-RCCFBDPRSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076398981 781249902 /nfs/dbraw/zinc/24/99/02/781249902.db2.gz QHRYKGAKSQUKBZ-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732156 783395450 /nfs/dbraw/zinc/39/54/50/783395450.db2.gz NQYJTLTYASZEDD-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639042 783915212 /nfs/dbraw/zinc/91/52/12/783915212.db2.gz GVXAQWPPHWBXAV-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460565 784399910 /nfs/dbraw/zinc/39/99/10/784399910.db2.gz WRPZOTAYGZZRLQ-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175238 784465215 /nfs/dbraw/zinc/46/52/15/784465215.db2.gz MQQCUKNDQFTLBW-YESZJQIVSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086175807 784465398 /nfs/dbraw/zinc/46/53/98/784465398.db2.gz MNKROHHBLPGNLN-SOLBZPMBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681594 784538328 /nfs/dbraw/zinc/53/83/28/784538328.db2.gz KJFYIVPTHISITG-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000968915516 784648437 /nfs/dbraw/zinc/64/84/37/784648437.db2.gz LVWLIZUAMONQPK-NVXWUHKLSA-N 2 0 305.466 2.160 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936856 784659633 /nfs/dbraw/zinc/65/96/33/784659633.db2.gz SHZKVVOLJMFAOR-QGZVFWFLSA-N 2 0 324.428 2.332 20 30 DEEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968991000 784683802 /nfs/dbraw/zinc/68/38/02/784683802.db2.gz SZDOUNVJFCBLIP-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCCCCC ZINC001155877609 784762635 /nfs/dbraw/zinc/76/26/35/784762635.db2.gz AEQVMEAYWVREIM-QGZVFWFLSA-N 2 0 309.498 2.348 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171237063 791083089 /nfs/dbraw/zinc/08/30/89/791083089.db2.gz OKNCCSBQZDTEFT-QZTJIDSGSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108702915 785501645 /nfs/dbraw/zinc/50/16/45/785501645.db2.gz GHEAIADFHPAIOO-ULQDDVLXSA-N 2 0 319.493 2.406 20 30 DEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001109858148 786086737 /nfs/dbraw/zinc/08/67/37/786086737.db2.gz WQGPMETVAZKPNV-SQNIBIBYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086558285 786217734 /nfs/dbraw/zinc/21/77/34/786217734.db2.gz ZIUNELBPIWCVKS-SAABIXHNSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112837805 786250132 /nfs/dbraw/zinc/25/01/32/786250132.db2.gz WGPSEJNBOWZHLH-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014438470 786586484 /nfs/dbraw/zinc/58/64/84/786586484.db2.gz TWJWRULODADVGA-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C[N@H+](CCO)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376127 786938800 /nfs/dbraw/zinc/93/88/00/786938800.db2.gz JWSWIGYJTFTHGH-UHFFFAOYSA-N 2 0 315.461 2.294 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434930 787689463 /nfs/dbraw/zinc/68/94/63/787689463.db2.gz PNNNXWDLXBAQNZ-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131801614 787744467 /nfs/dbraw/zinc/74/44/67/787744467.db2.gz LGASUKLBNOIWQW-UHFFFAOYSA-N 2 0 303.450 2.076 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2C)CC[C@H]1C ZINC001132354740 788035327 /nfs/dbraw/zinc/03/53/27/788035327.db2.gz OYLSLXRKADYAFH-ZBFHGGJFSA-N 2 0 304.438 2.127 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519028 788106921 /nfs/dbraw/zinc/10/69/21/788106921.db2.gz RNYOREUJFBIEJL-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524092 788112936 /nfs/dbraw/zinc/11/29/36/788112936.db2.gz CZOIMPBUVHZMCK-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580776 788139458 /nfs/dbraw/zinc/13/94/58/788139458.db2.gz KLKOKCHEMVOVLX-ZJPYXAASSA-N 2 0 317.477 2.158 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795564 788197261 /nfs/dbraw/zinc/19/72/61/788197261.db2.gz VAIRCWSJZRTWAU-QGZVFWFLSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133073548 788269051 /nfs/dbraw/zinc/26/90/51/788269051.db2.gz VTMOZCJHBFPHOY-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133194548 788314590 /nfs/dbraw/zinc/31/45/90/788314590.db2.gz HFXSFOZNTPHHSG-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133263582 788339321 /nfs/dbraw/zinc/33/93/21/788339321.db2.gz XUZSAUAPLAMUMI-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133253602 788342561 /nfs/dbraw/zinc/34/25/61/788342561.db2.gz KFVHDLBPPAQBDW-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133309980 788356587 /nfs/dbraw/zinc/35/65/87/788356587.db2.gz JZUBEINFAWOZIX-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133337365 788370756 /nfs/dbraw/zinc/37/07/56/788370756.db2.gz MQYXCDVKYKHJCR-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133337062 788371351 /nfs/dbraw/zinc/37/13/51/788371351.db2.gz IKJMVVYVZDNLRT-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086712280 788610012 /nfs/dbraw/zinc/61/00/12/788610012.db2.gz YISOCNVWXVPASX-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370099 788900645 /nfs/dbraw/zinc/90/06/45/788900645.db2.gz XLCUVHBWPDTPNB-HOTGVXAUSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170757702 788983461 /nfs/dbraw/zinc/98/34/61/788983461.db2.gz YYHIQXYZBGGHAU-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134819669 789106800 /nfs/dbraw/zinc/10/68/00/789106800.db2.gz CFXIPQVURAANEK-KBPBESRZSA-N 2 0 312.417 2.153 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627749 789825590 /nfs/dbraw/zinc/82/55/90/789825590.db2.gz KSYDDJJYDFXEKD-UKRRQHHQSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146608702 791322739 /nfs/dbraw/zinc/32/27/39/791322739.db2.gz ATORGAMVBAONGF-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146608710 791322983 /nfs/dbraw/zinc/32/29/83/791322983.db2.gz ATORGAMVBAONGF-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583454 791576343 /nfs/dbraw/zinc/57/63/43/791576343.db2.gz QIDDOVRRDNUTCE-BRWVUGGUSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147725071 791606996 /nfs/dbraw/zinc/60/69/96/791606996.db2.gz RIMJEXCCHQQEBO-INIZCTEOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001098463967 791634277 /nfs/dbraw/zinc/63/42/77/791634277.db2.gz JGBKWNXGDBLIEH-WCXIOVBPSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148285353 791729290 /nfs/dbraw/zinc/72/92/90/791729290.db2.gz PZDSXHJXHIMVFD-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315876 791737399 /nfs/dbraw/zinc/73/73/99/791737399.db2.gz YTXBSYODAZVNNP-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP 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 792239130 /nfs/dbraw/zinc/23/91/30/792239130.db2.gz VRAPZZXNQCDTMT-MLHJIOFPSA-N 2 0 319.493 2.072 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001100876285 792891201 /nfs/dbraw/zinc/89/12/01/792891201.db2.gz UNRIPIJCVRWUFV-UHFFFAOYSA-N 2 0 316.449 2.212 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351977 793132209 /nfs/dbraw/zinc/13/22/09/793132209.db2.gz QUCPIPNTIKIVMM-JZXOWHBKSA-N 2 0 307.482 2.073 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171813125 793222625 /nfs/dbraw/zinc/22/26/25/793222625.db2.gz ZJUHVIUBESKJHZ-OAHLLOKOSA-N 2 0 312.417 2.236 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001101569616 793236480 /nfs/dbraw/zinc/23/64/80/793236480.db2.gz HWANAFCMKOPELC-UHFFFAOYSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001101590283 793254194 /nfs/dbraw/zinc/25/41/94/793254194.db2.gz IUNIETPNZQCWCL-UHFFFAOYSA-N 2 0 319.493 2.123 20 30 DEEDRP CCCCCCC[C@@H](CC)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001172352087 793411353 /nfs/dbraw/zinc/41/13/53/793411353.db2.gz YMJYSGDLNQDOQP-CQSZACIVSA-N 2 0 303.451 2.263 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480080 793627679 /nfs/dbraw/zinc/62/76/79/793627679.db2.gz VVMXKNZTHRIYAA-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578219 793662002 /nfs/dbraw/zinc/66/20/02/793662002.db2.gz QXKDSTFLPIIJRN-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103147906 793958147 /nfs/dbraw/zinc/95/81/47/793958147.db2.gz GCZCMDSKHFWYKA-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380132 794064169 /nfs/dbraw/zinc/06/41/69/794064169.db2.gz GEOQUGUYQZWAJR-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024939 794334617 /nfs/dbraw/zinc/33/46/17/794334617.db2.gz UXBSSSMGIHTMKQ-AWEZNQCLSA-N 2 0 303.878 2.345 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176112639 794362350 /nfs/dbraw/zinc/36/23/50/794362350.db2.gz XHJXCYYGZLRBRS-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCCCC2)CC1 ZINC001176926406 794529511 /nfs/dbraw/zinc/52/95/11/794529511.db2.gz KXDAQEDKMQQETB-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001112359845 794612685 /nfs/dbraw/zinc/61/26/85/794612685.db2.gz OMOCWIMHCUHSIX-NTDBWNAOSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177265991 794628079 /nfs/dbraw/zinc/62/80/79/794628079.db2.gz BLJKWYJKESYROR-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001177415634 794666208 /nfs/dbraw/zinc/66/62/08/794666208.db2.gz GKWQRCZUNCHUIO-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177488923 794680572 /nfs/dbraw/zinc/68/05/72/794680572.db2.gz OONNSFFIFMLYGI-UHFFFAOYSA-N 2 0 321.509 2.348 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115299690 794727063 /nfs/dbraw/zinc/72/70/63/794727063.db2.gz DDUKZPZINATWRV-VQFNDLOPSA-N 2 0 309.498 2.343 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001203355114 794741021 /nfs/dbraw/zinc/74/10/21/794741021.db2.gz MUBSEACKTYRNBY-UHFFFAOYSA-N 2 0 316.449 2.308 20 30 DEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178502617 794931789 /nfs/dbraw/zinc/93/17/89/794931789.db2.gz UNQWGYNWELAULK-KRWDZBQOSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178889971 795020573 /nfs/dbraw/zinc/02/05/73/795020573.db2.gz CRQDZPPCZXWISK-BBWFWOEESA-N 2 0 307.482 2.404 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178915349 795029897 /nfs/dbraw/zinc/02/98/97/795029897.db2.gz HEPVGGZZZKCLMD-KRWDZBQOSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212146 795076141 /nfs/dbraw/zinc/07/61/41/795076141.db2.gz FNAOJLWQFJBZEJ-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001179745610 795171224 /nfs/dbraw/zinc/17/12/24/795171224.db2.gz DPVKEWUOXWOBRV-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179788392 795176210 /nfs/dbraw/zinc/17/62/10/795176210.db2.gz YJGUWXWNMZKIHS-MSOLQXFVSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)[C@H]1C ZINC001179903636 795208016 /nfs/dbraw/zinc/20/80/16/795208016.db2.gz XTOPGMXDFCWUOG-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001180352281 795280531 /nfs/dbraw/zinc/28/05/31/795280531.db2.gz NTXIUZKYQVBWPI-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001180372601 795293101 /nfs/dbraw/zinc/29/31/01/795293101.db2.gz DLAPJLOVPTUTFM-KRWDZBQOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755826 795533474 /nfs/dbraw/zinc/53/34/74/795533474.db2.gz XMSXAEMKESAYTP-SZVBFZGTSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001181884297 795556418 /nfs/dbraw/zinc/55/64/18/795556418.db2.gz FFBRQBHOYIKPOE-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121289587 795613005 /nfs/dbraw/zinc/61/30/05/795613005.db2.gz YTFCQICUNABVES-LMBQMVEXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177706 795733098 /nfs/dbraw/zinc/73/30/98/795733098.db2.gz JAIXBKSFKZWYAO-FIXVGMIGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001122336293 795748703 /nfs/dbraw/zinc/74/87/03/795748703.db2.gz UZANXMPXZDDROA-HOCLYGCPSA-N 2 0 301.434 2.224 20 30 DEEDRP 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 795824674 /nfs/dbraw/zinc/82/46/74/795824674.db2.gz NHFJSRQYAIMLLG-ZHALLVOQSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001183228598 795828975 /nfs/dbraw/zinc/82/89/75/795828975.db2.gz MSTZOAHFMCDVSZ-CZUORRHYSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001183846121 795943574 /nfs/dbraw/zinc/94/35/74/795943574.db2.gz UYENXAVWOGOHGT-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001184555841 796083346 /nfs/dbraw/zinc/08/33/46/796083346.db2.gz MIPFZJCQLIJQPM-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184555842 796083598 /nfs/dbraw/zinc/08/35/98/796083598.db2.gz MIPFZJCQLIJQPM-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184822399 796133220 /nfs/dbraw/zinc/13/32/20/796133220.db2.gz RDZCJVUELDWTQS-HZPDHXFCSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001184934346 796147088 /nfs/dbraw/zinc/14/70/88/796147088.db2.gz PTJNFGPJPVBHPU-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185029884 796174766 /nfs/dbraw/zinc/17/47/66/796174766.db2.gz JCFRWQPOHPZAFQ-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185675988 796308100 /nfs/dbraw/zinc/30/81/00/796308100.db2.gz GEFMIXRUORCCQO-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605536 796427333 /nfs/dbraw/zinc/42/73/33/796427333.db2.gz OYXKREGOIXLKBR-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203036669 796521127 /nfs/dbraw/zinc/52/11/27/796521127.db2.gz PYDYXZXKFTURRI-IAGOWNOFSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443960 796998405 /nfs/dbraw/zinc/99/84/05/796998405.db2.gz MBISYNSBSVSQDW-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802232 797399284 /nfs/dbraw/zinc/39/92/84/797399284.db2.gz FYUSBCANWURTBL-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818818 797403813 /nfs/dbraw/zinc/40/38/13/797403813.db2.gz BSVUHBFJKYKZQX-AEFFLSMTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196155737 798015124 /nfs/dbraw/zinc/01/51/24/798015124.db2.gz RLRFNKOMWBNWKC-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001158217239 798361885 /nfs/dbraw/zinc/36/18/85/798361885.db2.gz IVMRKVCETIBJRJ-OAHLLOKOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228314 798364220 /nfs/dbraw/zinc/36/42/20/798364220.db2.gz ZGHXIVTXLHDFHO-QGZVFWFLSA-N 2 0 312.417 2.447 20 30 DEEDRP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158491630 798415782 /nfs/dbraw/zinc/41/57/82/798415782.db2.gz VBVATEIDKAOMII-MSOLQXFVSA-N 2 0 321.509 2.443 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158491377 798416126 /nfs/dbraw/zinc/41/61/26/798416126.db2.gz PWOANGFHILFYMI-MSOLQXFVSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617199 798713131 /nfs/dbraw/zinc/71/31/31/798713131.db2.gz GTCJJDGGBBLVBQ-UHFFFAOYSA-N 2 0 310.401 2.272 20 30 DEEDRP Cc1ccnc(C#N)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201658489 798786265 /nfs/dbraw/zinc/78/62/65/798786265.db2.gz BFRAXGLQRCVJGY-UHFFFAOYSA-N 2 0 308.389 2.152 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801282 798800193 /nfs/dbraw/zinc/80/01/93/798800193.db2.gz HYGWIVRKNOWSNM-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203325182 798801858 /nfs/dbraw/zinc/80/18/58/798801858.db2.gz KKGZJOCQFKEEDQ-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214779858 798813043 /nfs/dbraw/zinc/81/30/43/798813043.db2.gz BBUGWNZMRSZUAL-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161559086 798885358 /nfs/dbraw/zinc/88/53/58/798885358.db2.gz YAQCOEZUGLBENX-UHFFFAOYSA-N 2 0 306.797 2.105 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925264 798970087 /nfs/dbraw/zinc/97/00/87/798970087.db2.gz ZBZLLIDLCJLPQG-HOTGVXAUSA-N 2 0 305.466 2.184 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930739 798970469 /nfs/dbraw/zinc/97/04/69/798970469.db2.gz IDMDURCTSFVXGU-UHFFFAOYSA-N 2 0 317.477 2.024 20 30 DEEDRP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952657 798977662 /nfs/dbraw/zinc/97/76/62/798977662.db2.gz HXPQMQUCPZSKTQ-GOSISDBHSA-N 2 0 317.477 2.023 20 30 DEEDRP 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 799148098 /nfs/dbraw/zinc/14/80/98/799148098.db2.gz NQUOVJBQXRHDPI-WCVJEAGWSA-N 2 0 307.482 2.118 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163231907 799284313 /nfs/dbraw/zinc/28/43/13/799284313.db2.gz JOQIFGDSKRXDAJ-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165484302 799735972 /nfs/dbraw/zinc/73/59/72/799735972.db2.gz CEZXHYRFFRPSDM-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981448 799808220 /nfs/dbraw/zinc/80/82/20/799808220.db2.gz QKIKVTRDHWIQJB-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633572 800096083 /nfs/dbraw/zinc/09/60/83/800096083.db2.gz ZFHZBQIWRJILKA-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641229 800098494 /nfs/dbraw/zinc/09/84/94/800098494.db2.gz PQWSCCSHPBSDEL-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1OC ZINC001205266716 800333221 /nfs/dbraw/zinc/33/32/21/800333221.db2.gz WPGDUWIFCYVPGL-GOSISDBHSA-N 2 0 302.418 2.411 20 30 DEEDRP CSc1nc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206003824 800456071 /nfs/dbraw/zinc/45/60/71/800456071.db2.gz MWWXTVGBENIMJF-QWHCGFSZSA-N 2 0 304.463 2.482 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874923 800612642 /nfs/dbraw/zinc/61/26/42/800612642.db2.gz NWRWUWZLGJKUSP-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099658 800690162 /nfs/dbraw/zinc/69/01/62/800690162.db2.gz QQWZDFOROGOWIV-KURKYZTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281834 800721883 /nfs/dbraw/zinc/72/18/83/800721883.db2.gz HSQCCYUSLXCLDZ-AEFFLSMTSA-N 2 0 310.482 2.400 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684022 800806881 /nfs/dbraw/zinc/80/68/81/800806881.db2.gz JSEUJEWQYUMTLX-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208279258 800945079 /nfs/dbraw/zinc/94/50/79/800945079.db2.gz LTCTYHPVRSIVEG-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208609826 801031229 /nfs/dbraw/zinc/03/12/29/801031229.db2.gz NFRDJYXVQQSYMB-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208609821 801031954 /nfs/dbraw/zinc/03/19/54/801031954.db2.gz NFRDJYXVQQSYMB-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208749082 801061902 /nfs/dbraw/zinc/06/19/02/801061902.db2.gz OXYUBUFMZGKSOE-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C[NH+](C)CCCN1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208862745 801081329 /nfs/dbraw/zinc/08/13/29/801081329.db2.gz PCMDEFFSOZQDMA-UHFFFAOYSA-N 2 0 314.477 2.060 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001229193759 801240532 /nfs/dbraw/zinc/24/05/32/801240532.db2.gz FSXKTKDCJHTHFG-BRWVUGGUSA-N 2 0 307.482 2.003 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210282678 801367369 /nfs/dbraw/zinc/36/73/69/801367369.db2.gz IXETYCUZOBLROX-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001230286624 801382009 /nfs/dbraw/zinc/38/20/09/801382009.db2.gz OZVJPJGJHLYSMJ-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610443 801435390 /nfs/dbraw/zinc/43/53/90/801435390.db2.gz AZIMRXHSMKCMIT-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218455417 802185313 /nfs/dbraw/zinc/18/53/13/802185313.db2.gz KHNHYJOPEPYZPG-QZTJIDSGSA-N 2 0 301.434 2.172 20 30 DEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1c(C#N)ccc(F)c1F ZINC001219316612 802310023 /nfs/dbraw/zinc/31/00/23/802310023.db2.gz BDAYYYBEZADGNQ-ZDUSSCGKSA-N 2 0 324.375 2.271 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001224692453 802894183 /nfs/dbraw/zinc/89/41/83/802894183.db2.gz UDISDJVKUQFDBG-HNNXBMFYSA-N 2 0 304.438 2.239 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225168380 802941880 /nfs/dbraw/zinc/94/18/80/802941880.db2.gz VXSYVOBORCFFEZ-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227047638 803192856 /nfs/dbraw/zinc/19/28/56/803192856.db2.gz JNOHIDMYNGRLHQ-MGPQQGTHSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001227381533 803235882 /nfs/dbraw/zinc/23/58/82/803235882.db2.gz VODPUXDFZJFPJA-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228603665 803379488 /nfs/dbraw/zinc/37/94/88/803379488.db2.gz RFPBBLBSNMAOHR-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001330900422 1149328213 /nfs/dbraw/zinc/32/82/13/1149328213.db2.gz OJBDRMBDLRJRQE-SJORKVTESA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001370316032 1149526236 /nfs/dbraw/zinc/52/62/36/1149526236.db2.gz CMOSJYITXXFZNF-GJZGRUSLSA-N 2 0 315.889 2.250 20 30 DEEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001327252412 1148405862 /nfs/dbraw/zinc/40/58/62/1148405862.db2.gz OXDQLTCNGHZGTQ-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001328361623 1148780031 /nfs/dbraw/zinc/78/00/31/1148780031.db2.gz NXJSLTMYGNNLME-ZDUSSCGKSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001467727669 1059690667 /nfs/dbraw/zinc/69/06/67/1059690667.db2.gz OSDLOWNGXPUHQV-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502125897 1059962657 /nfs/dbraw/zinc/96/26/57/1059962657.db2.gz MNXXTFDIEKCYOP-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001505473811 1060643252 /nfs/dbraw/zinc/64/32/52/1060643252.db2.gz YQRZAKBHKFYSPV-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCn1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC001474297265 1060845370 /nfs/dbraw/zinc/84/53/70/1060845370.db2.gz UFGFPTLJMPDVBQ-UHFFFAOYSA-N 2 0 312.421 2.008 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001505784719 1060960111 /nfs/dbraw/zinc/96/01/11/1060960111.db2.gz PWPOQBGSWMBMQG-UHFFFAOYSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001479642038 1061555892 /nfs/dbraw/zinc/55/58/92/1061555892.db2.gz YDBAUZFJNPXEKO-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001479687533 1061599692 /nfs/dbraw/zinc/59/96/92/1061599692.db2.gz IRZLHRHBZXUPIH-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001506176799 1061712797 /nfs/dbraw/zinc/71/27/97/1061712797.db2.gz IDNAVZXYTGPTHQ-ZWKOTPCHSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001479777679 1061742870 /nfs/dbraw/zinc/74/28/70/1061742870.db2.gz AMSIFDXYLSPSBX-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CCC)CC1 ZINC001479834403 1061867392 /nfs/dbraw/zinc/86/73/92/1061867392.db2.gz OXWVWPDCFQPCBP-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001479994643 1062158709 /nfs/dbraw/zinc/15/87/09/1062158709.db2.gz XZIRRQCSOLRQRC-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001507358528 1063149981 /nfs/dbraw/zinc/14/99/81/1063149981.db2.gz ASIXTNBHLDQIJF-IXDOHACOSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001508020132 1063498642 /nfs/dbraw/zinc/49/86/42/1063498642.db2.gz FNSZEDUTLBRYER-IRXDYDNUSA-N 2 0 321.509 2.393 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001493209815 1063641128 /nfs/dbraw/zinc/64/11/28/1063641128.db2.gz COHXSEQKZVBTCM-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001493850107 1063991259 /nfs/dbraw/zinc/99/12/59/1063991259.db2.gz OPXBFUULXRQLFK-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001494180007 1064159786 /nfs/dbraw/zinc/15/97/86/1064159786.db2.gz WETQANGNJXEQFW-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001567659342 1064321959 /nfs/dbraw/zinc/32/19/59/1064321959.db2.gz CVUZJSVUNJNIMX-KBAYOESNSA-N 2 0 315.461 2.350 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567701233 1064358017 /nfs/dbraw/zinc/35/80/17/1064358017.db2.gz FINCYHYEJADSCL-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001567732026 1064384275 /nfs/dbraw/zinc/38/42/75/1064384275.db2.gz URAKVBRAEHYLIK-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567730342 1064384350 /nfs/dbraw/zinc/38/43/50/1064384350.db2.gz ZRSORANSXVWUOS-OKZBNKHCSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001568090280 1064640411 /nfs/dbraw/zinc/64/04/11/1064640411.db2.gz BRLNWUYFJBWBHH-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001568331143 1064784416 /nfs/dbraw/zinc/78/44/16/1064784416.db2.gz MCLFHBWWKIQTFX-OAHLLOKOSA-N 2 0 312.417 2.010 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001568357924 1064802053 /nfs/dbraw/zinc/80/20/53/1064802053.db2.gz NLIFMBPUWLBAEF-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001495393973 1064878340 /nfs/dbraw/zinc/87/83/40/1064878340.db2.gz SIRIUKJYECNHLC-GOSISDBHSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001568513430 1064925004 /nfs/dbraw/zinc/92/50/04/1064925004.db2.gz LFQDKXKGNAUDQM-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001495698011 1065059964 /nfs/dbraw/zinc/05/99/64/1065059964.db2.gz XQWLWAOJGLAEQS-HIFRSBDPSA-N 2 0 315.889 2.201 20 30 DEEDRP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569203161 1065363302 /nfs/dbraw/zinc/36/33/02/1065363302.db2.gz OCBLNFAHUOLLTQ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC ZINC001569343664 1065443269 /nfs/dbraw/zinc/44/32/69/1065443269.db2.gz XOIWGDCHFQLVHK-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001569426508 1065502477 /nfs/dbraw/zinc/50/24/77/1065502477.db2.gz UWWBOTLOYLVJPZ-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001569609698 1065620614 /nfs/dbraw/zinc/62/06/14/1065620614.db2.gz KPHZFDMFBMVCEC-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496749296 1065687978 /nfs/dbraw/zinc/68/79/78/1065687978.db2.gz BUFPXPZZGXLAPK-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001569821901 1065742616 /nfs/dbraw/zinc/74/26/16/1065742616.db2.gz UCDNQTKBYCBQRF-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001569828913 1065749874 /nfs/dbraw/zinc/74/98/74/1065749874.db2.gz QDTYIBUXFRPRBU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001569860548 1065773212 /nfs/dbraw/zinc/77/32/12/1065773212.db2.gz WCAPJAZNLFWCCL-XMTFNYHQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001569994339 1065867068 /nfs/dbraw/zinc/86/70/68/1065867068.db2.gz HOLDDTMEUKFBRQ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001570005141 1065875239 /nfs/dbraw/zinc/87/52/39/1065875239.db2.gz MEGHQKLCNUFAQP-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001570184939 1065959570 /nfs/dbraw/zinc/95/95/70/1065959570.db2.gz BAKCQUYLKQITKM-GOSISDBHSA-N 2 0 321.509 2.493 20 30 DEEDRP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497400782 1066073532 /nfs/dbraw/zinc/07/35/32/1066073532.db2.gz KVGARTWMFJGLSM-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001570505267 1066099909 /nfs/dbraw/zinc/09/99/09/1066099909.db2.gz UFCRRNQXZJVWBN-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001498781352 1066884783 /nfs/dbraw/zinc/88/47/83/1066884783.db2.gz BITZNKPZIYZXMH-QGZVFWFLSA-N 2 0 312.417 2.317 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC001580079919 1067491674 /nfs/dbraw/zinc/49/16/74/1067491674.db2.gz IPKNECHYXTXGFD-PXZKZTPFSA-N 2 0 314.433 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267132756 1078605163 /nfs/dbraw/zinc/60/51/63/1078605163.db2.gz SCFYJLIPZYNJSV-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001267151829 1078615940 /nfs/dbraw/zinc/61/59/40/1078615940.db2.gz VOXXRSQEPIZTPD-AEFFLSMTSA-N 2 0 315.461 2.187 20 30 DEEDRP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001570550703 1068000853 /nfs/dbraw/zinc/00/08/53/1068000853.db2.gz DCCFGUNGHOQASU-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001570550704 1068001386 /nfs/dbraw/zinc/00/13/86/1068001386.db2.gz DCCFGUNGHOQASU-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001570562347 1068006804 /nfs/dbraw/zinc/00/68/04/1068006804.db2.gz BVPBOXAQOFVKOP-UHFFFAOYSA-N 2 0 321.490 2.484 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001422061091 1078644703 /nfs/dbraw/zinc/64/47/03/1078644703.db2.gz PKVJYXBMSDYWMA-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001571017120 1068173516 /nfs/dbraw/zinc/17/35/16/1068173516.db2.gz YFBCZWYXGPRILU-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001571326723 1068222413 /nfs/dbraw/zinc/22/24/13/1068222413.db2.gz ZXVCXMIRTRCSPJ-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001571503704 1068361864 /nfs/dbraw/zinc/36/18/64/1068361864.db2.gz UUMCILLNHIJJLV-JENIJYKNSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001571505728 1068362939 /nfs/dbraw/zinc/36/29/39/1068362939.db2.gz VTXSLRJDEQDACC-AEFFLSMTSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001571505730 1068364385 /nfs/dbraw/zinc/36/43/85/1068364385.db2.gz VTXSLRJDEQDACC-SJLPKXTDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001571566677 1068423680 /nfs/dbraw/zinc/42/36/80/1068423680.db2.gz XRNWWZLSJXGVSM-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001571569178 1068424719 /nfs/dbraw/zinc/42/47/19/1068424719.db2.gz ZCTFZSKGDOKKEX-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267273206 1078719406 /nfs/dbraw/zinc/71/94/06/1078719406.db2.gz CLMHTOMOFQPOLC-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001571701966 1068491133 /nfs/dbraw/zinc/49/11/33/1068491133.db2.gz CODNWGMDIYBBRH-KRWDZBQOSA-N 2 0 319.424 2.202 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001272440341 1078876857 /nfs/dbraw/zinc/87/68/57/1078876857.db2.gz LDEJCSCCUWBAIC-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001540466944 1072412521 /nfs/dbraw/zinc/41/25/21/1072412521.db2.gz DWMUHGFVWWIZHN-UHFFFAOYSA-N 2 0 315.461 2.407 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001542326522 1072456186 /nfs/dbraw/zinc/45/61/86/1072456186.db2.gz GMTFLERZEFVUPH-RDJZCZTQSA-N 2 0 301.434 2.056 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267564639 1078998279 /nfs/dbraw/zinc/99/82/79/1078998279.db2.gz UGLHDVCIYXADQU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267583121 1079083132 /nfs/dbraw/zinc/08/31/32/1079083132.db2.gz KEJJEBLDQXTREW-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267588155 1079097073 /nfs/dbraw/zinc/09/70/73/1079097073.db2.gz URAKVBRAEHYLIK-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483848581 1079149987 /nfs/dbraw/zinc/14/99/87/1079149987.db2.gz UOKHAYJBRKPDCK-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001329342362 1148886359 /nfs/dbraw/zinc/88/63/59/1148886359.db2.gz XKIXZELOGAGCFF-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483918421 1079183940 /nfs/dbraw/zinc/18/39/40/1079183940.db2.gz ZGIHJFRDYKHHMX-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001483959404 1079204483 /nfs/dbraw/zinc/20/44/83/1079204483.db2.gz SUGXCYNVWCZULV-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](C(C)C)CC1 ZINC001483985383 1079226031 /nfs/dbraw/zinc/22/60/31/1079226031.db2.gz VIDRNMUIHHLGMX-QGZVFWFLSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CCC)CC1 ZINC001483988658 1079228512 /nfs/dbraw/zinc/22/85/12/1079228512.db2.gz ITQUTDOQKLJXMV-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001484022778 1079248270 /nfs/dbraw/zinc/24/82/70/1079248270.db2.gz OSGBCJOLEDJYFP-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267618706 1079278712 /nfs/dbraw/zinc/27/87/12/1079278712.db2.gz WCRMEDGTZDMQGV-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484095052 1079300701 /nfs/dbraw/zinc/30/07/01/1079300701.db2.gz UHCDYXDVOBMORR-MJGOQNOKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267688474 1079375621 /nfs/dbraw/zinc/37/56/21/1079375621.db2.gz LOXGRUWVJUSPPI-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001565868983 1075201580 /nfs/dbraw/zinc/20/15/80/1075201580.db2.gz SRAUZBJPOGGXIQ-SHTZXODSSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001566598748 1075293459 /nfs/dbraw/zinc/29/34/59/1075293459.db2.gz ZLRWCPYKMSDGTF-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001267709322 1079396175 /nfs/dbraw/zinc/39/61/75/1079396175.db2.gz RCICCJYCBDYROD-JYJNAYRXSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001566939435 1075393747 /nfs/dbraw/zinc/39/37/47/1075393747.db2.gz ANYHERRJSJZEMH-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP 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 1075405889 /nfs/dbraw/zinc/40/58/89/1075405889.db2.gz WADFBHTXBUSADV-YTGMWSOZSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054442 1075424065 /nfs/dbraw/zinc/42/40/65/1075424065.db2.gz RLELFCMBXCORKT-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567166568 1075450092 /nfs/dbraw/zinc/45/00/92/1075450092.db2.gz GGOYEYZCZSPTOE-HZPDHXFCSA-N 2 0 324.428 2.297 20 30 DEEDRP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001567178470 1075454371 /nfs/dbraw/zinc/45/43/71/1075454371.db2.gz OHTYRSUBTNAUBE-ZWKOTPCHSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267764805 1079468543 /nfs/dbraw/zinc/46/85/43/1079468543.db2.gz ZSZLFOPBMOGTRB-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267764803 1079468656 /nfs/dbraw/zinc/46/86/56/1079468656.db2.gz ZSZLFOPBMOGTRB-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484346469 1079547040 /nfs/dbraw/zinc/54/70/40/1079547040.db2.gz ZETUELGSVRCEND-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267921130 1079603799 /nfs/dbraw/zinc/60/37/99/1079603799.db2.gz ITPUPCJOKPVQKO-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001481332735 1079727449 /nfs/dbraw/zinc/72/74/49/1079727449.db2.gz DILYLYSTJVEGOK-QAPCUYQASA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001481335263 1079730496 /nfs/dbraw/zinc/73/04/96/1079730496.db2.gz SZDGSGXYNMLGIK-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485040444 1079934865 /nfs/dbraw/zinc/93/48/65/1079934865.db2.gz CDRYAMISZJFROF-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268082318 1080036555 /nfs/dbraw/zinc/03/65/55/1080036555.db2.gz VWSPWUUVMQKKHP-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCCC)CC1 ZINC001485230200 1080078000 /nfs/dbraw/zinc/07/80/00/1080078000.db2.gz QWROFEXKTJNBFX-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCCC)CC1 ZINC001485230199 1080078027 /nfs/dbraw/zinc/07/80/27/1080078027.db2.gz QWROFEXKTJNBFX-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001660475720 1080337722 /nfs/dbraw/zinc/33/77/22/1080337722.db2.gz PLPKXZNBTMCIBT-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001485688117 1080369467 /nfs/dbraw/zinc/36/94/67/1080369467.db2.gz XNLSGPBKYBRVBN-SHTZXODSSA-N 2 0 312.417 2.317 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001661142344 1080447098 /nfs/dbraw/zinc/44/70/98/1080447098.db2.gz JPSVIDAXAQTTGO-IRXDYDNUSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485815572 1080496767 /nfs/dbraw/zinc/49/67/67/1080496767.db2.gz LYZYXTBNSPCLGG-SJORKVTESA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661895364 1080541381 /nfs/dbraw/zinc/54/13/81/1080541381.db2.gz DLVRXCGPDBXZRS-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001661925319 1080545618 /nfs/dbraw/zinc/54/56/18/1080545618.db2.gz DCHJIEQBXHSCHL-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037444 1080551516 /nfs/dbraw/zinc/55/15/16/1080551516.db2.gz HDPFXVPGFIFIOU-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662675007 1080632663 /nfs/dbraw/zinc/63/26/63/1080632663.db2.gz DHIUMFGVWAUHHW-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001268499852 1080649684 /nfs/dbraw/zinc/64/96/84/1080649684.db2.gz QWEFPIYGOTWHHO-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001481975130 1080662212 /nfs/dbraw/zinc/66/22/12/1080662212.db2.gz QLYAOAKOVSZTEU-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001482117531 1080814198 /nfs/dbraw/zinc/81/41/98/1080814198.db2.gz HZDPUFPMIBDPNG-CYBMUJFWSA-N 2 0 300.406 2.174 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001482172056 1080877961 /nfs/dbraw/zinc/87/79/61/1080877961.db2.gz MVDFAEBZUDKTBD-CYBMUJFWSA-N 2 0 323.868 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268598163 1080878205 /nfs/dbraw/zinc/87/82/05/1080878205.db2.gz WREIGCYHHQEBHW-IYKSTZQJSA-N 2 0 313.873 2.265 20 30 DEEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001664457582 1080912823 /nfs/dbraw/zinc/91/28/23/1080912823.db2.gz RLNOEDMQVQBOHO-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC001664593546 1080929985 /nfs/dbraw/zinc/92/99/85/1080929985.db2.gz ZWLGNVQEBVRGSN-IRXDYDNUSA-N 2 0 303.450 2.350 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001664760812 1080957275 /nfs/dbraw/zinc/95/72/75/1080957275.db2.gz ZGLHDGHUMRYESH-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001664807006 1080963534 /nfs/dbraw/zinc/96/35/34/1080963534.db2.gz PKEKPOLHHFNCBO-AEFFLSMTSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001664876283 1080974714 /nfs/dbraw/zinc/97/47/14/1080974714.db2.gz QDADEBSQUTUHJQ-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001665567199 1081040602 /nfs/dbraw/zinc/04/06/02/1081040602.db2.gz OOWNQMCZAMAJBE-LUKYLMHMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001269071616 1081109093 /nfs/dbraw/zinc/10/90/93/1081109093.db2.gz NDXLTXSXJFXCEG-SJLPKXTDSA-N 2 0 319.493 2.311 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001666297959 1081141196 /nfs/dbraw/zinc/14/11/96/1081141196.db2.gz DJIKSJMFZZXZQV-QAQDUYKDSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001667498151 1081258735 /nfs/dbraw/zinc/25/87/35/1081258735.db2.gz IORSDEWXCSBIGJ-DLBZAZTESA-N 2 0 307.482 2.003 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001482238316 1081336321 /nfs/dbraw/zinc/33/63/21/1081336321.db2.gz NWTBQVDNUQFSRH-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001269805928 1081371281 /nfs/dbraw/zinc/37/12/81/1081371281.db2.gz UGYPSUDKQPSGAH-MRXNPFEDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001270158844 1081463056 /nfs/dbraw/zinc/46/30/56/1081463056.db2.gz IRJPFBSHGFQIBS-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001669968215 1081484851 /nfs/dbraw/zinc/48/48/51/1081484851.db2.gz VUQPKMGEEHDICS-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001670138544 1081498915 /nfs/dbraw/zinc/49/89/15/1081498915.db2.gz LEABYEBJLYWSMN-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001671491760 1081519510 /nfs/dbraw/zinc/51/95/10/1081519510.db2.gz IXSBSMHICDWXRO-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001671868469 1081544342 /nfs/dbraw/zinc/54/43/42/1081544342.db2.gz WGKBNWOJDMZDBD-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001671901618 1081547907 /nfs/dbraw/zinc/54/79/07/1081547907.db2.gz PVRDFEZZFWQIPI-GOSISDBHSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001672315325 1081582321 /nfs/dbraw/zinc/58/23/21/1081582321.db2.gz KENUHARKEBJPOA-HOTGVXAUSA-N 2 0 309.498 2.225 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCC1 ZINC001270749125 1081624209 /nfs/dbraw/zinc/62/42/09/1081624209.db2.gz LFBUFYQXLNRHIC-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001672983259 1081728785 /nfs/dbraw/zinc/72/87/85/1081728785.db2.gz UPJIVMTXELJUAZ-BZSNNMDCSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001673625179 1081785997 /nfs/dbraw/zinc/78/59/97/1081785997.db2.gz LWBSGFHFCLULAQ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001674224345 1081851844 /nfs/dbraw/zinc/85/18/44/1081851844.db2.gz MSYMBGJRCGZTBW-FUHWJXTLSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001674393047 1081865923 /nfs/dbraw/zinc/86/59/23/1081865923.db2.gz LKLSCYARBOQCAJ-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001674506644 1081885202 /nfs/dbraw/zinc/88/52/02/1081885202.db2.gz YWLPVFNHILNLDP-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001271491433 1082062245 /nfs/dbraw/zinc/06/22/45/1082062245.db2.gz RCEBBOHIHJUJAZ-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266527526 1082112354 /nfs/dbraw/zinc/11/23/54/1082112354.db2.gz XXWHOHGXKKGHOD-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001482537579 1082183993 /nfs/dbraw/zinc/18/39/93/1082183993.db2.gz DXZIWTCSFKLHJL-KRWDZBQOSA-N 2 0 321.509 2.393 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001271940918 1082201069 /nfs/dbraw/zinc/20/10/69/1082201069.db2.gz MLUJCFRDBWVWDZ-GOSISDBHSA-N 2 0 315.461 2.116 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266732606 1082309038 /nfs/dbraw/zinc/30/90/38/1082309038.db2.gz IRMZOMCGYISLSF-CALCHBBNSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001671257821 1082371294 /nfs/dbraw/zinc/37/12/94/1082371294.db2.gz WXOLNATZTCZUFU-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482642965 1082431554 /nfs/dbraw/zinc/43/15/54/1082431554.db2.gz ZOJBDZVJZUIDNZ-GJZGRUSLSA-N 2 0 315.889 2.250 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107643658 1083554979 /nfs/dbraw/zinc/55/49/79/1083554979.db2.gz QCAGBLYURRTWCS-IEBWSBKVSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001276718405 1083567612 /nfs/dbraw/zinc/56/76/12/1083567612.db2.gz SVOJETDKBUTTCN-TVFCKZIOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001276839592 1083639675 /nfs/dbraw/zinc/63/96/75/1083639675.db2.gz KQEMCDAZUDDWKU-KSZLIROESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001276839507 1083640160 /nfs/dbraw/zinc/64/01/60/1083640160.db2.gz JPUQZFVSWHEPKU-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001276983539 1083717036 /nfs/dbraw/zinc/71/70/36/1083717036.db2.gz MXKCGYMKKNEBLL-BRWVUGGUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835507 1083770517 /nfs/dbraw/zinc/77/05/17/1083770517.db2.gz XIPJDMLBFVZWJM-SCTDSRPQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001277093870 1083770440 /nfs/dbraw/zinc/77/04/40/1083770440.db2.gz CRXJTWDYADEAPQ-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP C=CCCCCC[NH+]1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277151376 1083810202 /nfs/dbraw/zinc/81/02/02/1083810202.db2.gz JFZPGFUKPQENRT-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001490904336 1083884227 /nfs/dbraw/zinc/88/42/27/1083884227.db2.gz ADQZETIJZXCLDR-VGWMRTNUSA-N 2 0 316.449 2.037 20 30 DEEDRP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001277393293 1083941534 /nfs/dbraw/zinc/94/15/34/1083941534.db2.gz IMUVIXRZNLZNJJ-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001277592273 1084048887 /nfs/dbraw/zinc/04/88/87/1084048887.db2.gz XZHUYLDDCCQHBB-IAGOWNOFSA-N 2 0 307.482 2.003 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491122396 1084088267 /nfs/dbraw/zinc/08/82/67/1084088267.db2.gz IYNRXUHMPAEQMD-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491153405 1084112425 /nfs/dbraw/zinc/11/24/25/1084112425.db2.gz KSUPBHXGBTUPKR-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001670918632 1084140772 /nfs/dbraw/zinc/14/07/72/1084140772.db2.gz KVCRMSXAHBKYEL-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001277779054 1084144154 /nfs/dbraw/zinc/14/41/54/1084144154.db2.gz BHOYBQPKZLXGGB-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](CCCC#N)C[C@H]3CC2)n(C)n1 ZINC001277945250 1084430031 /nfs/dbraw/zinc/43/00/31/1084430031.db2.gz SYUVEHIEPWSVGQ-CALCHBBNSA-N 2 0 315.465 2.176 20 30 DEEDRP COc1cc(C#N)ccc1OC1CC[NH+](CCCC[NH3+])CC1 ZINC001235975318 1084579510 /nfs/dbraw/zinc/57/95/10/1084579510.db2.gz ZQQKKWNFEDBOHG-UHFFFAOYSA-N 2 0 303.406 2.149 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001078626814 1084770803 /nfs/dbraw/zinc/77/08/03/1084770803.db2.gz UXVUXPSWGRWMRO-CVEARBPZSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000964014831 1085146391 /nfs/dbraw/zinc/14/63/91/1085146391.db2.gz DUUIDMBOCHTBPW-AOCRQIFASA-N 2 0 319.493 2.243 20 30 DEEDRP 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 1085283003 /nfs/dbraw/zinc/28/30/03/1085283003.db2.gz YIIZNLWUZFVMEX-JYJNAYRXSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001486520239 1085402644 /nfs/dbraw/zinc/40/26/44/1085402644.db2.gz IVSQNRGLCBIPIR-DOTOQJQBSA-N 2 0 305.466 2.041 20 30 DEEDRP 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 1085427485 /nfs/dbraw/zinc/42/74/85/1085427485.db2.gz QYFIEEQFCRURRS-XWTMOSNGSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273029972 1086037904 /nfs/dbraw/zinc/03/79/04/1086037904.db2.gz HSWIEFRVWAECKP-GOSISDBHSA-N 2 0 305.466 2.019 20 30 DEEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128543977 1086206410 /nfs/dbraw/zinc/20/64/10/1086206410.db2.gz GRXPUCAZLXWDQL-HNNXBMFYSA-N 2 0 303.466 2.343 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000963678367 1086536130 /nfs/dbraw/zinc/53/61/30/1086536130.db2.gz YRABASQDIZPSPY-UHFFFAOYSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828940 1088901271 /nfs/dbraw/zinc/90/12/71/1088901271.db2.gz NJDWOCWFXNDPON-TWMKSMIVSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554614 1089060892 /nfs/dbraw/zinc/06/08/92/1089060892.db2.gz XXKQFMGYYLPMBM-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084521739 1090316860 /nfs/dbraw/zinc/31/68/60/1090316860.db2.gz VMBIFNQLOWVJAC-RHSMWYFYSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001410319076 1090549299 /nfs/dbraw/zinc/54/92/99/1090549299.db2.gz XQRNPGYHGDYACP-GJZGRUSLSA-N 2 0 315.889 2.152 20 30 DEEDRP C=CCN1CC[C@@]2(CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274267309 1091159066 /nfs/dbraw/zinc/15/90/66/1091159066.db2.gz DBUPGWQEERWHAE-GOSISDBHSA-N 2 0 310.401 2.173 20 30 DEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001274886071 1091457530 /nfs/dbraw/zinc/45/75/30/1091457530.db2.gz ZHLMRQIQKYUCKC-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001273447357 1091767548 /nfs/dbraw/zinc/76/75/48/1091767548.db2.gz WNGYAMIJGGRWTM-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001490838455 1091816841 /nfs/dbraw/zinc/81/68/41/1091816841.db2.gz ZFJJTZYNBVMEJS-QAETUUGQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006435371 1091908872 /nfs/dbraw/zinc/90/88/72/1091908872.db2.gz OLPWULPOBDTGMN-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833294 1091961480 /nfs/dbraw/zinc/96/14/80/1091961480.db2.gz PBQGUEXXDGUEFV-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001273795742 1092054483 /nfs/dbraw/zinc/05/44/83/1092054483.db2.gz MVHLIAHLZHWYQQ-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001273848052 1092310266 /nfs/dbraw/zinc/31/02/66/1092310266.db2.gz GBSRIMSXKVOZST-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001275928558 1092324797 /nfs/dbraw/zinc/32/47/97/1092324797.db2.gz OCIGKKRDIVAGMZ-PBHICJAKSA-N 2 0 313.461 2.212 20 30 DEEDRP C#CCCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275975513 1092415409 /nfs/dbraw/zinc/41/54/09/1092415409.db2.gz HNIJCLBEZGXLQL-UHFFFAOYSA-N 2 0 313.445 2.489 20 30 DEEDRP C#CCCC[N@@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275975718 1092416265 /nfs/dbraw/zinc/41/62/65/1092416265.db2.gz LRONHEVDOQFPSA-SFHVURJKSA-N 2 0 300.450 2.084 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001488689264 1092687406 /nfs/dbraw/zinc/68/74/06/1092687406.db2.gz KVZZWQBIVMJJDT-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001488974784 1092858989 /nfs/dbraw/zinc/85/89/89/1092858989.db2.gz KEABZVHEXFNVHM-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001489056571 1092897154 /nfs/dbraw/zinc/89/71/54/1092897154.db2.gz WICXPCGZPPFVMJ-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001489309117 1093010842 /nfs/dbraw/zinc/01/08/42/1093010842.db2.gz KEPZZLNDAIZUGO-IKGGRYGDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493163224 1093277726 /nfs/dbraw/zinc/27/77/26/1093277726.db2.gz UDRXZVDKGINXNZ-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001274165571 1093831046 /nfs/dbraw/zinc/83/10/46/1093831046.db2.gz ZJSJYLGROKCNGR-JFDDCEBESA-N 2 0 305.466 2.232 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691748610 1138326673 /nfs/dbraw/zinc/32/66/73/1138326673.db2.gz JPOJBWSQTIUUAD-CALCHBBNSA-N 2 0 307.482 2.169 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(S)CC3)c(F)c2)CC1 ZINC001236940289 1138461946 /nfs/dbraw/zinc/46/19/46/1138461946.db2.gz ZCRVTGRACARFAL-UHFFFAOYSA-N 2 0 323.481 2.472 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001278259189 1138862672 /nfs/dbraw/zinc/86/26/72/1138862672.db2.gz LUQVIRMTHKMTPP-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001278276894 1138872832 /nfs/dbraw/zinc/87/28/32/1138872832.db2.gz ZCJBWZQUIQPPFL-SJLPKXTDSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001294047597 1139082138 /nfs/dbraw/zinc/08/21/38/1139082138.db2.gz MIEVEYYOWSKEEY-GOSISDBHSA-N 2 0 315.461 2.400 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316668721 1140308809 /nfs/dbraw/zinc/30/88/09/1140308809.db2.gz KFDPMOKVTSWPQS-QGZVFWFLSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318838056 1140431278 /nfs/dbraw/zinc/43/12/78/1140431278.db2.gz SUFIZCGVYGMDDS-QGZVFWFLSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318851600 1140436323 /nfs/dbraw/zinc/43/63/23/1140436323.db2.gz TXMZJOHSUVBJTC-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001319659350 1140648102 /nfs/dbraw/zinc/64/81/02/1140648102.db2.gz JSBNYNQETOWJKN-ROUUACIJSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001319876087 1140792020 /nfs/dbraw/zinc/79/20/20/1140792020.db2.gz GRWACKQGYBTSBF-SFHVURJKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001320047927 1140816327 /nfs/dbraw/zinc/81/63/27/1140816327.db2.gz LFMQKBYNQKVNPR-ULQDDVLXSA-N 2 0 309.498 2.462 20 30 DEEDRP C=C[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(=O)SCc1ccccc1 ZINC001246014640 1140845560 /nfs/dbraw/zinc/84/55/60/1140845560.db2.gz VZDXGGWINKCARF-HOTGVXAUSA-N 2 0 322.474 2.081 20 30 DEEDRP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3CC[NH2+]CC3)cc(C#N)c21 ZINC001246328054 1140884613 /nfs/dbraw/zinc/88/46/13/1140884613.db2.gz QEYNBWYOUNHUBC-CYBMUJFWSA-N 2 0 324.428 2.446 20 30 DEEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246769784 1141053737 /nfs/dbraw/zinc/05/37/37/1141053737.db2.gz RLBUMXWUBWZYQS-ZFHLEULCSA-N 2 0 306.450 2.096 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001324343785 1142059200 /nfs/dbraw/zinc/05/92/00/1142059200.db2.gz UAQFELYBUVJODK-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278602205 1142322210 /nfs/dbraw/zinc/32/22/10/1142322210.db2.gz PDZGVFWFOITMIC-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C[C@@](C)(O)C[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001252558385 1142764828 /nfs/dbraw/zinc/76/48/28/1142764828.db2.gz VHWDYAZZYUZFPF-GOSISDBHSA-N 2 0 311.514 2.053 20 30 DEEDRP C=C[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253587580 1142883074 /nfs/dbraw/zinc/88/30/74/1142883074.db2.gz DLVRIWQQYDNKFJ-QRVBRYPASA-N 2 0 300.446 2.377 20 30 DEEDRP C#C[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254039442 1143031560 /nfs/dbraw/zinc/03/15/60/1143031560.db2.gz GRDMRFDKRRSMDJ-GOSISDBHSA-N 2 0 312.457 2.359 20 30 DEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254517329 1143177416 /nfs/dbraw/zinc/17/74/16/1143177416.db2.gz UPCRPEXNGXKYNB-INIZCTEOSA-N 2 0 321.465 2.191 20 30 DEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254517330 1143177622 /nfs/dbraw/zinc/17/76/22/1143177622.db2.gz UPCRPEXNGXKYNB-MRXNPFEDSA-N 2 0 321.465 2.191 20 30 DEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853412 1143338600 /nfs/dbraw/zinc/33/86/00/1143338600.db2.gz OTJSSEYINAIUPU-GOSISDBHSA-N 3 0 300.450 2.138 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001341894276 1143737776 /nfs/dbraw/zinc/73/77/76/1143737776.db2.gz VWAOWSCDCMJLCL-RYQLBKOJSA-N 2 0 305.466 2.004 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001278929866 1143842794 /nfs/dbraw/zinc/84/27/94/1143842794.db2.gz NGMYFUANXVNIEF-SJORKVTESA-N 2 0 309.498 2.462 20 30 DEEDRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001257047127 1143882841 /nfs/dbraw/zinc/88/28/41/1143882841.db2.gz LIFWJTCFQVJJDR-IAGOWNOFSA-N 2 0 317.433 2.385 20 30 DEEDRP C=CCCC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001281050066 1143991922 /nfs/dbraw/zinc/99/19/22/1143991922.db2.gz UCFXJRQGZAOYMC-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001264373060 1144518530 /nfs/dbraw/zinc/51/85/30/1144518530.db2.gz QWOXHEZFEADPQK-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001264497321 1144547557 /nfs/dbraw/zinc/54/75/57/1144547557.db2.gz QZJCBRGTPKZUHR-INIZCTEOSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755370 1144607605 /nfs/dbraw/zinc/60/76/05/1144607605.db2.gz OMXXYXYPVJZHPS-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001265087257 1144640644 /nfs/dbraw/zinc/64/06/44/1144640644.db2.gz XHBOSQBWXLZHBB-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001265336425 1144695874 /nfs/dbraw/zinc/69/58/74/1144695874.db2.gz ZMUBZSADTLJTCX-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001265370122 1144699131 /nfs/dbraw/zinc/69/91/31/1144699131.db2.gz KSUXPIPIBMIVEH-YOEHRIQHSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001265454004 1144704888 /nfs/dbraw/zinc/70/48/88/1144704888.db2.gz CBRWOMZWFHJWAV-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266072533 1144802867 /nfs/dbraw/zinc/80/28/67/1144802867.db2.gz WUAFHIVPQLMEPT-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266112903 1144806722 /nfs/dbraw/zinc/80/67/22/1144806722.db2.gz CKSAZDYPKGBDJL-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001266150183 1144809962 /nfs/dbraw/zinc/80/99/62/1144809962.db2.gz URXPRLBIANSKOR-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576227 1144825005 /nfs/dbraw/zinc/82/50/05/1144825005.db2.gz LTPJQLHKZPHMDL-IAGOWNOFSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281559636 1144897307 /nfs/dbraw/zinc/89/73/07/1144897307.db2.gz XYXCFRFOZFXZCS-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001282053087 1144937127 /nfs/dbraw/zinc/93/71/27/1144937127.db2.gz QDFZABGIGVUQOA-HPUBIQBYSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001282992818 1145228537 /nfs/dbraw/zinc/22/85/37/1145228537.db2.gz PMEGNURZOLRPLJ-HDICACEKSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001283883857 1145687080 /nfs/dbraw/zinc/68/70/80/1145687080.db2.gz FIJIMNHDIGNUHG-PBHICJAKSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001284335001 1145838170 /nfs/dbraw/zinc/83/81/70/1145838170.db2.gz JIUGYJJTWFLIRI-CVEARBPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491890697 1146958457 /nfs/dbraw/zinc/95/84/57/1146958457.db2.gz FIKCHRIYMFGLDT-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492154453 1147102229 /nfs/dbraw/zinc/10/22/29/1147102229.db2.gz NJROWAOCNINLME-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001366246314 1147156886 /nfs/dbraw/zinc/15/68/86/1147156886.db2.gz HMPODEDNYDMFFR-UHFFFAOYSA-N 2 0 301.862 2.098 20 30 DEEDRP CC#CC[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317402094 1147370781 /nfs/dbraw/zinc/37/07/81/1147370781.db2.gz SZDSFSPGZWUEOT-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501855 1147535591 /nfs/dbraw/zinc/53/55/91/1147535591.db2.gz MHCVNLCDBNWMFZ-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317042770 1147581356 /nfs/dbraw/zinc/58/13/56/1147581356.db2.gz GQVHRVLKVOHGIC-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001316799628 1147601608 /nfs/dbraw/zinc/60/16/08/1147601608.db2.gz GWZMLANMPKQTHD-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947330 1147636962 /nfs/dbraw/zinc/63/69/62/1147636962.db2.gz KEZIBXPYQQKHFQ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317093174 1147658853 /nfs/dbraw/zinc/65/88/53/1147658853.db2.gz NUKHTTLKYORXDX-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001317206979 1147677070 /nfs/dbraw/zinc/67/70/70/1147677070.db2.gz HTAGOVRDCGDNIU-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317301793 1147687998 /nfs/dbraw/zinc/68/79/98/1147687998.db2.gz ATWOUQSKQPMXRU-HNNXBMFYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317407845 1147702282 /nfs/dbraw/zinc/70/22/82/1147702282.db2.gz ZGPJJMQGWCTIFM-WMLDXEAASA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001317450874 1147710582 /nfs/dbraw/zinc/71/05/82/1147710582.db2.gz YLCMFHNJRSLOFR-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317791142 1147752815 /nfs/dbraw/zinc/75/28/15/1147752815.db2.gz ZQTMUWLYIACPLK-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001318129363 1147779409 /nfs/dbraw/zinc/77/94/09/1147779409.db2.gz OJKJMZKCDCVOMF-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001318204930 1147796596 /nfs/dbraw/zinc/79/65/96/1147796596.db2.gz VVBRGFRCSJDBRQ-IKGGRYGDSA-N 2 0 317.477 2.255 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001324970615 1147862727 /nfs/dbraw/zinc/86/27/27/1147862727.db2.gz AQDJIRIURNWMRX-QGZVFWFLSA-N 2 0 304.438 2.137 20 30 DEEDRP C[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000329301447 295691185 /nfs/dbraw/zinc/69/11/85/295691185.db2.gz WGSQDCSXPYIBLG-HNNXBMFYSA-N 2 0 311.470 2.054 20 30 DEEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047976432 354337242 /nfs/dbraw/zinc/33/72/42/354337242.db2.gz ASVNPDLLDFQDBM-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP CC[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC000083031391 355462277 /nfs/dbraw/zinc/46/22/77/355462277.db2.gz ZBWXZAFJQRXBAE-ZBFHGGJFSA-N 2 0 316.449 2.289 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000594581094 358296760 /nfs/dbraw/zinc/29/67/60/358296760.db2.gz NMHSWKPVCSIZEF-MJGOQNOKSA-N 2 0 312.461 2.382 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000594581093 358296921 /nfs/dbraw/zinc/29/69/21/358296921.db2.gz NMHSWKPVCSIZEF-IEBWSBKVSA-N 2 0 312.461 2.382 20 30 DEEDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000187678275 200142947 /nfs/dbraw/zinc/14/29/47/200142947.db2.gz VOBSICUXFPAQJU-LPHOPBHVSA-N 2 0 312.461 2.331 20 30 DEEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392916 361589220 /nfs/dbraw/zinc/58/92/20/361589220.db2.gz VJSGAUDCPWAMPX-KXBFYZLASA-N 2 0 312.461 2.161 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523171 184015186 /nfs/dbraw/zinc/01/51/86/184015186.db2.gz HGTYJRJDVCOYNF-MRXNPFEDSA-N 2 0 307.482 2.239 20 30 DEEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000538397941 285034378 /nfs/dbraw/zinc/03/43/78/285034378.db2.gz GGFWKTLXVYQSEC-INIZCTEOSA-N 2 0 300.450 2.236 20 30 DEEDRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C#N)c(F)c1 ZINC000346171820 146030931 /nfs/dbraw/zinc/03/09/31/146030931.db2.gz ICZBUSSAKYDLCL-CYBMUJFWSA-N 2 0 305.397 2.052 20 30 DEEDRP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123536850 402132782 /nfs/dbraw/zinc/13/27/82/402132782.db2.gz ZJIKYNGUWVLVAF-SFHVURJKSA-N 2 0 322.497 2.095 20 30 DEEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159019457 402316199 /nfs/dbraw/zinc/31/61/99/402316199.db2.gz KSBGAYURDBFNOE-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C[NH+](C)Cc1cc(CNC(=[NH2+])Nc2ccccn2)ccc1F ZINC000178575113 402513246 /nfs/dbraw/zinc/51/32/46/402513246.db2.gz PRSQOCOLQCUFMJ-UHFFFAOYSA-N 2 0 301.369 2.209 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000170910261 402540813 /nfs/dbraw/zinc/54/08/13/402540813.db2.gz LSCXOYGUZWJKAL-OAHLLOKOSA-N 2 0 306.454 2.076 20 30 DEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181691638 402654714 /nfs/dbraw/zinc/65/47/14/402654714.db2.gz HKRKXCALVBIAHY-SJORKVTESA-N 2 0 314.477 2.482 20 30 DEEDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271942566 402886213 /nfs/dbraw/zinc/88/62/13/402886213.db2.gz MGQXFOACONWTKZ-CQSZACIVSA-N 2 0 318.440 2.374 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280674429 403025969 /nfs/dbraw/zinc/02/59/69/403025969.db2.gz YUJNZAWMRDZTJY-RBSFLKMASA-N 2 0 318.440 2.460 20 30 DEEDRP C=CCN1CC[C@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)C1=O ZINC000280906134 403048770 /nfs/dbraw/zinc/04/87/70/403048770.db2.gz BXTVGBBMLJGBBE-SFHVURJKSA-N 2 0 315.461 2.405 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283826799 403226464 /nfs/dbraw/zinc/22/64/64/403226464.db2.gz DRQWFMMZHDMHJF-UHFFFAOYSA-N 2 0 316.449 2.140 20 30 DEEDRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C#N ZINC000278017656 403280075 /nfs/dbraw/zinc/28/00/75/403280075.db2.gz WGEDIHVFXVZWHJ-HNNXBMFYSA-N 2 0 317.433 2.157 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(CC#N)cc1 ZINC000342724046 403322867 /nfs/dbraw/zinc/32/28/67/403322867.db2.gz DFFUGWGLOJTWMF-CEXWTWQISA-N 2 0 313.445 2.436 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070487 403750814 /nfs/dbraw/zinc/75/08/14/403750814.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 2 0 313.489 2.442 20 30 DEEDRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424145502 405021186 /nfs/dbraw/zinc/02/11/86/405021186.db2.gz YXHUMUQTVAMYQB-KRWDZBQOSA-N 2 0 316.449 2.166 20 30 DEEDRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424154379 405024365 /nfs/dbraw/zinc/02/43/65/405024365.db2.gz LSFWELCAKWTGPE-GDBMZVCRSA-N 2 0 316.449 2.253 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000421350281 405467232 /nfs/dbraw/zinc/46/72/32/405467232.db2.gz AFGNBWMIRCAWMK-UHFFFAOYSA-N 2 0 320.456 2.403 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423400157 405790278 /nfs/dbraw/zinc/79/02/78/405790278.db2.gz WSWWPEWQVQQZAC-KBPBESRZSA-N 2 0 305.388 2.157 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759680 406237540 /nfs/dbraw/zinc/23/75/40/406237540.db2.gz GIOIXYNVUZFCBO-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC3=[NH+]CCN3C)cc2)C1 ZINC000262662408 225280181 /nfs/dbraw/zinc/28/01/81/225280181.db2.gz NHSBKZPFRUJBGP-HNNXBMFYSA-N 2 0 300.450 2.310 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001328260209 1148756325 /nfs/dbraw/zinc/75/63/25/1148756325.db2.gz RUKIPJARYYJYBU-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000651746387 425145620 /nfs/dbraw/zinc/14/56/20/425145620.db2.gz PELHMKQPQMDRSH-IKGGRYGDSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCOCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665263396 425532220 /nfs/dbraw/zinc/53/22/20/425532220.db2.gz LRKRRTUURTVPBO-WMZOPIPTSA-N 2 0 302.418 2.425 20 30 DEEDRP C=CC[C@@]1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CCC[NH2+]1 ZINC000662814818 425742029 /nfs/dbraw/zinc/74/20/29/425742029.db2.gz NOCRSZURVIQXOW-INIZCTEOSA-N 2 0 320.462 2.247 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662682177 425712920 /nfs/dbraw/zinc/71/29/20/425712920.db2.gz HPPZTJSCXNVUBC-AEFFLSMTSA-N 2 0 307.482 2.313 20 30 DEEDRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000422983196 274525549 /nfs/dbraw/zinc/52/55/49/274525549.db2.gz YWPDFHBLPSSLER-BPUTZDHNSA-N 2 0 316.424 2.254 20 30 DEEDRP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@@H](C)O1 ZINC000429684906 288153431 /nfs/dbraw/zinc/15/34/31/288153431.db2.gz NSELJFHWVRXRJG-XYVMCAHJSA-N 2 0 305.466 2.500 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC001357428315 1152297362 /nfs/dbraw/zinc/29/73/62/1152297362.db2.gz LSBAZCHHCDFJIR-HUUCEWRRSA-N 2 0 317.433 2.026 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001329939506 1149020010 /nfs/dbraw/zinc/02/00/10/1149020010.db2.gz UCPRSZUIQHFDIY-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001401707380 1162085431 /nfs/dbraw/zinc/08/54/31/1162085431.db2.gz ZXCKXXCWLORFHC-UONOGXRCSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001401832095 1162148257 /nfs/dbraw/zinc/14/82/57/1162148257.db2.gz USPAOCSCFUQWMM-LSDHHAIUSA-N 2 0 315.889 2.345 20 30 DEEDRP 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 1152480112 /nfs/dbraw/zinc/48/01/12/1152480112.db2.gz BXNRLJNAPLQYHH-BIQWYFBQSA-N 2 0 313.873 2.096 20 30 DEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N(C)Cc1cccn1C ZINC000261974465 526350741 /nfs/dbraw/zinc/35/07/41/526350741.db2.gz NKGRWFSGVHOPFF-UHFFFAOYSA-N 2 0 319.497 2.297 20 30 DEEDRP C[NH+]=C(NCc1c(C)noc1C)NCC1([NH+](C)C)CCCCC1 ZINC000262011054 526380080 /nfs/dbraw/zinc/38/00/80/526380080.db2.gz VCJSLSQYGKNCLJ-UHFFFAOYSA-N 2 0 321.469 2.221 20 30 DEEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262358835 526394290 /nfs/dbraw/zinc/39/42/90/526394290.db2.gz GKQWDMQVWNFJHD-IPMKNSEASA-N 2 0 324.472 2.139 20 30 DEEDRP CC[NH+]=C(NCC1CCSCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262785448 528805345 /nfs/dbraw/zinc/80/53/45/528805345.db2.gz MLPJEIJJTZBOQF-INIZCTEOSA-N 2 0 322.522 2.041 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000263123950 529100313 /nfs/dbraw/zinc/10/03/13/529100313.db2.gz MIAUENJAJRMVRT-KGLIPLIRSA-N 2 0 318.490 2.265 20 30 DEEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264090636 529349983 /nfs/dbraw/zinc/34/99/83/529349983.db2.gz KVYYNEDHVRDJLU-WBVHZDCISA-N 2 0 302.466 2.254 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001368812446 1148682105 /nfs/dbraw/zinc/68/21/05/1148682105.db2.gz XVQCAGATZLQHTD-YMAMQOFZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684974 625439452 /nfs/dbraw/zinc/43/94/52/625439452.db2.gz KNWYJWONILLIJM-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001026533966 625506729 /nfs/dbraw/zinc/50/67/29/625506729.db2.gz OCLGINLRGZYGMJ-OFLPRAFFSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025602199 625624869 /nfs/dbraw/zinc/62/48/69/625624869.db2.gz ZFZVLHVBJGUNJG-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506897 624927907 /nfs/dbraw/zinc/92/79/07/624927907.db2.gz UDJIOKRTTQGBJY-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023372424 625242530 /nfs/dbraw/zinc/24/25/30/625242530.db2.gz SJEIHQGEYOAXGK-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027693685 634448018 /nfs/dbraw/zinc/44/80/18/634448018.db2.gz GKEUVCPEZVKOBZ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999022483 634465467 /nfs/dbraw/zinc/46/54/67/634465467.db2.gz ABVVBDVUGJPABQ-UHFFFAOYSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000024570 634729386 /nfs/dbraw/zinc/72/93/86/634729386.db2.gz DNJQNPKOPLIKGB-OAHLLOKOSA-N 2 0 305.422 2.112 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974649488 633208492 /nfs/dbraw/zinc/20/84/92/633208492.db2.gz GVVKJKSLMIXKTJ-SJORKVTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974654076 633212050 /nfs/dbraw/zinc/21/20/50/633212050.db2.gz GZBZYXPMLFIIGF-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1(C)C ZINC000996507591 633269401 /nfs/dbraw/zinc/26/94/01/633269401.db2.gz QFKXUMCZNDGXGV-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996901884 633518193 /nfs/dbraw/zinc/51/81/93/633518193.db2.gz BPANRELUUXOTER-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997114680 633593466 /nfs/dbraw/zinc/59/34/66/633593466.db2.gz FMRFHDRJLODDJN-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000921527994 633615346 /nfs/dbraw/zinc/61/53/46/633615346.db2.gz QSEKOGSIJVBBLL-UHFFFAOYSA-N 2 0 314.477 2.292 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027433188 633775800 /nfs/dbraw/zinc/77/58/00/633775800.db2.gz UOGQPMKOGMXWMH-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997676938 633927112 /nfs/dbraw/zinc/92/71/12/633927112.db2.gz NPMNDQJVXSBWRZ-HNNXBMFYSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980186464 634884129 /nfs/dbraw/zinc/88/41/29/634884129.db2.gz DGWRRGQPQIVYEG-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001027944338 635031400 /nfs/dbraw/zinc/03/14/00/635031400.db2.gz VMEWECWUXVIWFV-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000779583 635308641 /nfs/dbraw/zinc/30/86/41/635308641.db2.gz YLWCEAAXKGEOCE-SFHVURJKSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000779580 635309098 /nfs/dbraw/zinc/30/90/98/635309098.db2.gz YLWCEAAXKGEOCE-GOSISDBHSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001000841064 635310598 /nfs/dbraw/zinc/31/05/98/635310598.db2.gz KFUXZYDSMDGJTQ-UHFFFAOYSA-N 2 0 317.477 2.187 20 30 DEEDRP C#CCC[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001000873914 635323434 /nfs/dbraw/zinc/32/34/34/635323434.db2.gz BZRMEBDTSNJGMB-UHFFFAOYSA-N 2 0 322.412 2.028 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981168803 635339146 /nfs/dbraw/zinc/33/91/46/635339146.db2.gz WVORHUHAPKTFLX-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001245100 635440254 /nfs/dbraw/zinc/44/02/54/635440254.db2.gz MCHIRNUNQMXOCB-ROUUACIJSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369152 635455933 /nfs/dbraw/zinc/45/59/33/635455933.db2.gz DEVZZOKDOSDOIM-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001367763 635479317 /nfs/dbraw/zinc/47/93/17/635479317.db2.gz COFSJJJCNXOYGB-QZTJIDSGSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001923967 635577670 /nfs/dbraw/zinc/57/76/70/635577670.db2.gz JKRZEDZCYKMZGE-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001922752 635577801 /nfs/dbraw/zinc/57/78/01/635577801.db2.gz AJQXGBVNHFKGKF-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981812660 635666848 /nfs/dbraw/zinc/66/68/48/635666848.db2.gz SBWSPXYLRJPOSK-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981825837 635672549 /nfs/dbraw/zinc/67/25/49/635672549.db2.gz QITHMLGOIVDBES-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163804 635890143 /nfs/dbraw/zinc/89/01/43/635890143.db2.gz SWOSPDYVIDUGLY-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003968798 636105581 /nfs/dbraw/zinc/10/55/81/636105581.db2.gz UVOBEMNPCUJFDS-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028335096 636135939 /nfs/dbraw/zinc/13/59/39/636135939.db2.gz NQNLGRXBTGEGHL-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982558050 636265261 /nfs/dbraw/zinc/26/52/61/636265261.db2.gz YDBGVMUJKZZHTD-QRQLOZEOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537249 636329698 /nfs/dbraw/zinc/32/96/98/636329698.db2.gz KOXMBPNIQGPCOC-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001004375752 636403756 /nfs/dbraw/zinc/40/37/56/636403756.db2.gz SKGWIZZQONCFIF-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001005388904 636729494 /nfs/dbraw/zinc/72/94/94/636729494.db2.gz CIPFYRDJLWBTEQ-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001005395678 636731412 /nfs/dbraw/zinc/73/14/12/636731412.db2.gz JIWURXQYMBDJDR-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919364 636853805 /nfs/dbraw/zinc/85/38/05/636853805.db2.gz UOOHWMZEERBNAF-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029003024 636944419 /nfs/dbraw/zinc/94/44/19/636944419.db2.gz GYVOYWVMZHAWCH-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000985429274 639395113 /nfs/dbraw/zinc/39/51/13/639395113.db2.gz NZEBDBFJVMOSSI-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956117 640024196 /nfs/dbraw/zinc/02/41/96/640024196.db2.gz JUEYZZHTDUFHEG-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000987288502 640157413 /nfs/dbraw/zinc/15/74/13/640157413.db2.gz BKIQPQHJMQSPHS-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000989634340 641174524 /nfs/dbraw/zinc/17/45/24/641174524.db2.gz BKHYHGHEHNFKHN-ZBFHGGJFSA-N 2 0 310.401 2.251 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000900260754 642305760 /nfs/dbraw/zinc/30/57/60/642305760.db2.gz JHPPYTKFOJPIRY-UHFFFAOYSA-N 2 0 305.422 2.073 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000900660888 642435778 /nfs/dbraw/zinc/43/57/78/642435778.db2.gz AGPINNZOGDKGLY-UHFFFAOYSA-N 2 0 319.449 2.464 20 30 DEEDRP C=CCCC[N@@H+](CC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000902669295 643109296 /nfs/dbraw/zinc/10/92/96/643109296.db2.gz JWGKNLKWVVOUDU-QGZVFWFLSA-N 2 0 307.438 2.149 20 30 DEEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809573033 646239886 /nfs/dbraw/zinc/23/98/86/646239886.db2.gz BZTNAEKFSWZXLQ-GOSISDBHSA-N 2 0 301.434 2.105 20 30 DEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991621242 646548597 /nfs/dbraw/zinc/54/85/97/646548597.db2.gz HJCFKMLALZHUHP-PKOBYXMFSA-N 2 0 322.412 2.084 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@H]12 ZINC000992446232 647012622 /nfs/dbraw/zinc/01/26/22/647012622.db2.gz MEMJMEIDCXPUID-FUHWJXTLSA-N 2 0 316.449 2.340 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993487089 647685357 /nfs/dbraw/zinc/68/53/57/647685357.db2.gz FHQNCIILCWRWGH-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805988 647747413 /nfs/dbraw/zinc/74/74/13/647747413.db2.gz NXQMILFXXUDXDL-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994119863 647789353 /nfs/dbraw/zinc/78/93/53/647789353.db2.gz GGCSUYOLVHAEDX-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015714387 647885702 /nfs/dbraw/zinc/88/57/02/647885702.db2.gz YFRVXEHKEPORQU-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C[C@@H](CCNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCCC1 ZINC000181500895 648678557 /nfs/dbraw/zinc/67/85/57/648678557.db2.gz BYZZARICSUTXJM-INIZCTEOSA-N 2 0 302.466 2.398 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221357 649024522 /nfs/dbraw/zinc/02/45/22/649024522.db2.gz RPBSPSXHAAPEQX-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000948426451 649193293 /nfs/dbraw/zinc/19/32/93/649193293.db2.gz YERTXDKURFBRKS-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582076 649253704 /nfs/dbraw/zinc/25/37/04/649253704.db2.gz ROXXCCVDEHITSN-GOEBONIOSA-N 2 0 319.449 2.358 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000848988989 651572944 /nfs/dbraw/zinc/57/29/44/651572944.db2.gz RHNNMXJRZWWCAB-CQSZACIVSA-N 2 0 319.840 2.310 20 30 DEEDRP COc1cccc(/C=N\[C@@H](C)CN(C)CCC[NH+](C)C)c1O ZINC000849169260 651615497 /nfs/dbraw/zinc/61/54/97/651615497.db2.gz AHCDGLGTMVXRLE-HIXWQLQUSA-N 2 0 307.438 2.092 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001390084897 1155522593 /nfs/dbraw/zinc/52/25/93/1155522593.db2.gz RFSHZZSMFSLWQT-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304764606 685260751 /nfs/dbraw/zinc/26/07/51/685260751.db2.gz YFAKFNWFGBBYEI-OAHLLOKOSA-N 2 0 312.502 2.216 20 30 DEEDRP CCC(CC)c1cc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)on1 ZINC000304804850 685261797 /nfs/dbraw/zinc/26/17/97/685261797.db2.gz QUVNLIGKAGNZEE-CQSZACIVSA-N 2 0 321.469 2.467 20 30 DEEDRP [NH2+]=C(NCC[NH+]1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000104158224 684058289 /nfs/dbraw/zinc/05/82/89/684058289.db2.gz JYXHCSATUZTGLG-UHFFFAOYSA-N 2 0 318.421 2.060 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054133625 693858218 /nfs/dbraw/zinc/85/82/18/693858218.db2.gz HJAPJJKROILPGD-SCTDSRPQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054227126 693891607 /nfs/dbraw/zinc/89/16/07/693891607.db2.gz DTGDTKDKWYUESX-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000303908630 685239757 /nfs/dbraw/zinc/23/97/57/685239757.db2.gz XRUGFBLLYNIYMZ-MRXNPFEDSA-N 2 0 314.477 2.481 20 30 DEEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303985558 685242453 /nfs/dbraw/zinc/24/24/53/685242453.db2.gz SZYPUXVVAFQRDI-CYBMUJFWSA-N 2 0 320.437 2.305 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001054724397 694032552 /nfs/dbraw/zinc/03/25/52/694032552.db2.gz UGUFWKOZCTWEMM-ZFWWWQNUSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001394855848 1158814711 /nfs/dbraw/zinc/81/47/11/1158814711.db2.gz RJWZAQIIRVLYHT-YMAMQOFZSA-N 2 0 315.889 2.438 20 30 DEEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866589458 687621218 /nfs/dbraw/zinc/62/12/18/687621218.db2.gz DEAZEBMMIIIJRT-INIZCTEOSA-N 2 0 312.461 2.331 20 30 DEEDRP N#Cc1cc(F)ccc1N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000866702545 687658775 /nfs/dbraw/zinc/65/87/75/687658775.db2.gz CNFRABPHLHXLEB-OAHLLOKOSA-N 2 0 316.424 2.209 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016651651 687674632 /nfs/dbraw/zinc/67/46/32/687674632.db2.gz JRRLNSQDVDUKSP-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016863788 687721897 /nfs/dbraw/zinc/72/18/97/687721897.db2.gz VQSROGHIZDJTKN-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016985945 687749613 /nfs/dbraw/zinc/74/96/13/687749613.db2.gz NDQORFFLEMPQRX-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016987650 687750334 /nfs/dbraw/zinc/75/03/34/687750334.db2.gz YFESGQZNOQDYSQ-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550292 687910833 /nfs/dbraw/zinc/91/08/33/687910833.db2.gz WWIKHUDPNRARGQ-XLAORIBOSA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017705776 687942417 /nfs/dbraw/zinc/94/24/17/687942417.db2.gz GIXADUNNMFYDTE-CALCHBBNSA-N 2 0 317.477 2.256 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001019810762 688412814 /nfs/dbraw/zinc/41/28/14/688412814.db2.gz JAUCWGHXLKCDPK-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001020156647 688475810 /nfs/dbraw/zinc/47/58/10/688475810.db2.gz VBBVKGYTHBPEDT-ULQDDVLXSA-N 2 0 319.493 2.454 20 30 DEEDRP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930625736 694204792 /nfs/dbraw/zinc/20/47/92/694204792.db2.gz IYFSMCXXKIVBLQ-UHFFFAOYSA-N 2 0 307.482 2.389 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730564 688986797 /nfs/dbraw/zinc/98/67/97/688986797.db2.gz REYNVZJBCYDROZ-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001032433219 689149287 /nfs/dbraw/zinc/14/92/87/689149287.db2.gz LVZALCFDHUEGNT-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800237 689263703 /nfs/dbraw/zinc/26/37/03/689263703.db2.gz BZLLGKPGPIHVIA-IRXDYDNUSA-N 2 0 313.445 2.223 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359457 689475818 /nfs/dbraw/zinc/47/58/18/689475818.db2.gz ZOVCXHXPOZVRHJ-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699610 689588417 /nfs/dbraw/zinc/58/84/17/689588417.db2.gz ONNIHTNSCVRUPY-HNNXBMFYSA-N 2 0 319.449 2.454 20 30 DEEDRP C=CCCC[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875463057 689630204 /nfs/dbraw/zinc/63/02/04/689630204.db2.gz PIOZHBNVKNZREO-GVDBMIGSSA-N 2 0 324.513 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033835583 689632013 /nfs/dbraw/zinc/63/20/13/689632013.db2.gz ZYJMHEWEGSDEHE-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897629 689654337 /nfs/dbraw/zinc/65/43/37/689654337.db2.gz MSZBLRVCHVGQGF-QGZVFWFLSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932918 689666407 /nfs/dbraw/zinc/66/64/07/689666407.db2.gz UMJXRGAPKGFYCY-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000876723847 689916257 /nfs/dbraw/zinc/91/62/57/689916257.db2.gz YJXRVSZMBGPVTK-KBPBESRZSA-N 2 0 313.804 2.015 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876724860 689916950 /nfs/dbraw/zinc/91/69/50/689916950.db2.gz ARBIPFFIXPZVEI-VNHYZAJKSA-N 2 0 315.889 2.331 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000876876702 689961441 /nfs/dbraw/zinc/96/14/41/689961441.db2.gz IWDXPMCSBSRGGK-AWEZNQCLSA-N 2 0 301.862 2.179 20 30 DEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202499 690058867 /nfs/dbraw/zinc/05/88/67/690058867.db2.gz WARYPXGSRONCNO-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035226202 690065465 /nfs/dbraw/zinc/06/54/65/690065465.db2.gz DVJDSYUFJWJUSI-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035798910 690178726 /nfs/dbraw/zinc/17/87/26/690178726.db2.gz RUPXWVULBBFHRJ-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036184560 690284402 /nfs/dbraw/zinc/28/44/02/690284402.db2.gz YSRUXKMKKKUWHX-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036716531 690443598 /nfs/dbraw/zinc/44/35/98/690443598.db2.gz HLEIMENLWLUHAZ-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036763182 690464134 /nfs/dbraw/zinc/46/41/34/690464134.db2.gz WPKLRWXNAZWZIW-WMZOPIPTSA-N 2 0 324.428 2.447 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]C(C)C)CC1 ZINC001037280983 690602386 /nfs/dbraw/zinc/60/23/86/690602386.db2.gz ZESYTOZWDVABCZ-MSOLQXFVSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247447 690602474 /nfs/dbraw/zinc/60/24/74/690602474.db2.gz APJJKGSFZHAIDN-KRWDZBQOSA-N 2 0 319.493 2.383 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1CC ZINC001037869785 690628019 /nfs/dbraw/zinc/62/80/19/690628019.db2.gz POVUXSQZUQQLNZ-YJBOKZPZSA-N 2 0 324.428 2.106 20 30 DEEDRP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880262508 690854421 /nfs/dbraw/zinc/85/44/21/690854421.db2.gz NEZGSCJMTSOFSW-DNVCBOLYSA-N 2 0 322.412 2.197 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038624902 690878623 /nfs/dbraw/zinc/87/86/23/690878623.db2.gz OWZSKTVQRGWZBF-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039163417 691036945 /nfs/dbraw/zinc/03/69/45/691036945.db2.gz CPMQTBTVJZDCAG-FUHWJXTLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039386358 691094624 /nfs/dbraw/zinc/09/46/24/691094624.db2.gz LBLMPDIBSLKFDM-SQNIBIBYSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039390202 691095324 /nfs/dbraw/zinc/09/53/24/691095324.db2.gz ZZVLAMWUBZYZSS-IKGGRYGDSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001039435459 691105646 /nfs/dbraw/zinc/10/56/46/691105646.db2.gz MFHSERGYHHNQCY-QLFBSQMISA-N 2 0 314.433 2.081 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040527112 691262064 /nfs/dbraw/zinc/26/20/64/691262064.db2.gz FSTGPRHGIWNCKH-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040946919 691299647 /nfs/dbraw/zinc/29/96/47/691299647.db2.gz KBXSFFWQJWPGJV-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041445376 691376789 /nfs/dbraw/zinc/37/67/89/691376789.db2.gz KHXFBGJTOBANGJ-LJQANCHMSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042288892 691559356 /nfs/dbraw/zinc/55/93/56/691559356.db2.gz WIZWOEZZGPJEKH-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042369419 691583762 /nfs/dbraw/zinc/58/37/62/691583762.db2.gz XTXSTBWXEPANFS-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042920688 691660272 /nfs/dbraw/zinc/66/02/72/691660272.db2.gz DUGBFRLEGUXFSC-INIZCTEOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044741685 691880686 /nfs/dbraw/zinc/88/06/86/691880686.db2.gz CMLWAZOLJQSUKR-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001044814771 691891568 /nfs/dbraw/zinc/89/15/68/691891568.db2.gz HLVTVVFZUOSUMP-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885956308 691971317 /nfs/dbraw/zinc/97/13/17/691971317.db2.gz NCHGOYSXKBQDKM-KRWDZBQOSA-N 2 0 307.482 2.485 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001045501679 691989761 /nfs/dbraw/zinc/98/97/61/691989761.db2.gz ADCJFACLPZEIBO-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001046314730 692149173 /nfs/dbraw/zinc/14/91/73/692149173.db2.gz NUBDDBHLTNYCQQ-GOSISDBHSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046561670 692223887 /nfs/dbraw/zinc/22/38/87/692223887.db2.gz JAOBVZDQFAIFNJ-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939933 692728505 /nfs/dbraw/zinc/72/85/05/692728505.db2.gz YYEATXYAWPXNPH-CALCHBBNSA-N 2 0 324.428 2.304 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049146932 692774272 /nfs/dbraw/zinc/77/42/72/692774272.db2.gz MJMHYERDHFYHGU-HDICACEKSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049482254 692896581 /nfs/dbraw/zinc/89/65/81/692896581.db2.gz LMYPYNVWFDTQRV-MLHJIOFPSA-N 2 0 319.493 2.358 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595040 692935565 /nfs/dbraw/zinc/93/55/65/692935565.db2.gz RJANZZREHNCGPR-QZTJIDSGSA-N 2 0 322.412 2.037 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049724867 692976527 /nfs/dbraw/zinc/97/65/27/692976527.db2.gz UGBMZRPPGWZTLW-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001049919240 693047240 /nfs/dbraw/zinc/04/72/40/693047240.db2.gz OFXJAUUMUUFSLA-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000924873809 693195648 /nfs/dbraw/zinc/19/56/48/693195648.db2.gz OLVUQOODQZIMTI-HNNXBMFYSA-N 2 0 306.498 2.463 20 30 DEEDRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000925642652 693315306 /nfs/dbraw/zinc/31/53/06/693315306.db2.gz ABUQVXAWYZRNRK-GPANFISMSA-N 2 0 314.433 2.373 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052391614 693522353 /nfs/dbraw/zinc/52/23/53/693522353.db2.gz QQFOHBXIIKCTFZ-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052425940 693531796 /nfs/dbraw/zinc/53/17/96/693531796.db2.gz HQQXFGGEJJQSHF-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590748 693573639 /nfs/dbraw/zinc/57/36/39/693573639.db2.gz FZYDAGGYPOFXLO-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052866016 693636888 /nfs/dbraw/zinc/63/68/88/693636888.db2.gz UDFDZTCVHWZCSC-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107165 782192861 /nfs/dbraw/zinc/19/28/61/782192861.db2.gz WKHOVNAWANTUSX-CVEARBPZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001402384603 1162339518 /nfs/dbraw/zinc/33/95/18/1162339518.db2.gz UPHUULNUAFHRCB-CABCVRRESA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001333398522 1150045400 /nfs/dbraw/zinc/04/54/00/1150045400.db2.gz AHJQIHNFERVFHO-DLBZAZTESA-N 2 0 319.493 2.431 20 30 DEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)Nc1nn(C)c(C)c1C[NH3+] ZINC001343967332 1150789020 /nfs/dbraw/zinc/78/90/20/1150789020.db2.gz ODEIWJZLFJAMOS-CQSZACIVSA-N 2 0 309.458 2.204 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001353536490 1151836977 /nfs/dbraw/zinc/83/69/77/1151836977.db2.gz ZGNAQPRSXFGPTH-OIISXLGYSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001381736206 1153199720 /nfs/dbraw/zinc/19/97/20/1153199720.db2.gz YFUCAYKGDQJEEK-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001402936450 1162553911 /nfs/dbraw/zinc/55/39/11/1162553911.db2.gz JMZKVFPQJDRRFE-UHFFFAOYSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403408184 1162873049 /nfs/dbraw/zinc/87/30/49/1162873049.db2.gz LIVASVOSGARCJX-ZDUSSCGKSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001374436520 1157854701 /nfs/dbraw/zinc/85/47/01/1157854701.db2.gz AOQVAAPYRSBZHX-OAHLLOKOSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001377962053 1160884558 /nfs/dbraw/zinc/88/45/58/1160884558.db2.gz GHPYNPYZEHGKTM-UHFFFAOYSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001400170307 1161675530 /nfs/dbraw/zinc/67/55/30/1161675530.db2.gz USXUISWUYMQEPE-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)CN1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001419164833 1168277122 /nfs/dbraw/zinc/27/71/22/1168277122.db2.gz YCIAWCAULJESTF-KGLIPLIRSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001419330402 1168405947 /nfs/dbraw/zinc/40/59/47/1168405947.db2.gz BMVVCXOJQJOGBX-OAHLLOKOSA-N 2 0 315.889 2.250 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001419828265 1168863539 /nfs/dbraw/zinc/86/35/39/1168863539.db2.gz UDJIJDMWJDKBHG-UKRRQHHQSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001421886266 1172089760 /nfs/dbraw/zinc/08/97/60/1172089760.db2.gz GNGIUPBKACQMEA-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001423013474 1173015820 /nfs/dbraw/zinc/01/58/20/1173015820.db2.gz ZEMLXFYFOOGZQY-CABCVRRESA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001438422449 1180409778 /nfs/dbraw/zinc/40/97/78/1180409778.db2.gz SMRRZKCTUCYUML-INIZCTEOSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438730883 1180800098 /nfs/dbraw/zinc/80/00/98/1180800098.db2.gz FQBNSBAHEWQOMS-HIFRSBDPSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001441472280 1182010005 /nfs/dbraw/zinc/01/00/05/1182010005.db2.gz NKRMOMCNVDJNMF-ZDUSSCGKSA-N 2 0 324.856 2.266 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001441761686 1182150691 /nfs/dbraw/zinc/15/06/91/1182150691.db2.gz UVWKWBXJMYXUNR-UHFFFAOYSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001447565202 1184812082 /nfs/dbraw/zinc/81/20/82/1184812082.db2.gz MUIWZGYWFRDMLW-ZDUSSCGKSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001332149290 1149825637 /nfs/dbraw/zinc/82/56/37/1149825637.db2.gz UBRWOIROMFMACY-FGTMMUONSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168435155 782263025 /nfs/dbraw/zinc/26/30/25/782263025.db2.gz XIKKAKJLNLFGIZ-UHFFFAOYSA-N 2 0 303.450 2.424 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106281810 782612837 /nfs/dbraw/zinc/61/28/37/782612837.db2.gz DQZRXMYWVZKSSQ-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106323228 782650445 /nfs/dbraw/zinc/65/04/45/782650445.db2.gz ZKJBULUDINGCCR-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229217 782731248 /nfs/dbraw/zinc/73/12/48/782731248.db2.gz HSDUSSNCDFQPKV-DLBZAZTESA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429935 783099829 /nfs/dbraw/zinc/09/98/29/783099829.db2.gz GBHWISLUSDSHAA-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493459 783159960 /nfs/dbraw/zinc/15/99/60/783159960.db2.gz XBEFTUNHICGCHD-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089565437 783213781 /nfs/dbraw/zinc/21/37/81/783213781.db2.gz SAYXSWKIZWXQGE-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726285 783214403 /nfs/dbraw/zinc/21/44/03/783214403.db2.gz LPZCQKZAUNNFDV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100420530 776686264 /nfs/dbraw/zinc/68/62/64/776686264.db2.gz LOXCIQUOZBNCOQ-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP 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 777259092 /nfs/dbraw/zinc/25/90/92/777259092.db2.gz VYLQLVRGYCWZJD-MLHJIOFPSA-N 2 0 321.509 2.365 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(C#N)ccc1Cl ZINC001140601386 777406773 /nfs/dbraw/zinc/40/67/73/777406773.db2.gz QGRUVWIAWANQNL-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171062063 790539502 /nfs/dbraw/zinc/53/95/02/790539502.db2.gz YWXCUUKIHPNCQM-LSDHHAIUSA-N 2 0 301.450 2.117 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167694448 777858342 /nfs/dbraw/zinc/85/83/42/777858342.db2.gz LPKWCNVWHXLBTO-UHFFFAOYSA-N 2 0 319.493 2.171 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167741947 778310406 /nfs/dbraw/zinc/31/04/06/778310406.db2.gz DGXALLODHRKMHE-DLBZAZTESA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCCCCC ZINC001114982966 778740444 /nfs/dbraw/zinc/74/04/44/778740444.db2.gz ZPCAGWJJVKHUPY-VQFNDLOPSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696755 779413170 /nfs/dbraw/zinc/41/31/70/779413170.db2.gz LHHURRZRCDLVKU-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087971991 779582699 /nfs/dbraw/zinc/58/26/99/779582699.db2.gz DPWZNBQYHDNVNT-VSZNYVQBSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106364 779704158 /nfs/dbraw/zinc/70/41/58/779704158.db2.gz XLWXDQOIZBWMBK-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000985511309 779881728 /nfs/dbraw/zinc/88/17/28/779881728.db2.gz RFWPFNUGABFNCJ-UHFFFAOYSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985559106 779909482 /nfs/dbraw/zinc/90/94/82/779909482.db2.gz QLKZGLVLVYXAQI-GOSISDBHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001088334176 779984222 /nfs/dbraw/zinc/98/42/22/779984222.db2.gz BZEKVJBGEAKFAT-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088653883 780690154 /nfs/dbraw/zinc/69/01/54/780690154.db2.gz MLAXYOIAORDAGO-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168296917 780810422 /nfs/dbraw/zinc/81/04/22/780810422.db2.gz AKMPDIRPVQIJBY-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](CC(C)C)CC2)CC1 ZINC001144418181 790899138 /nfs/dbraw/zinc/89/91/38/790899138.db2.gz VHPIEJMUITYDBT-UHFFFAOYSA-N 2 0 307.482 2.121 20 30 DEEDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)Cc1cccc(C#N)c1 ZINC001171183326 790909887 /nfs/dbraw/zinc/90/98/87/790909887.db2.gz DNVUSWOMWXWWGM-INIZCTEOSA-N 2 0 302.466 2.092 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001091122991 790921385 /nfs/dbraw/zinc/92/13/85/790921385.db2.gz VAMUPCFYWOLRGC-UHFFFAOYSA-N 2 0 318.808 2.185 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085306884 783633684 /nfs/dbraw/zinc/63/36/84/783633684.db2.gz VMYKRWAJXROMLK-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205554 783905036 /nfs/dbraw/zinc/90/50/36/783905036.db2.gz LFRSVFKDCAHSSE-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379544 784339710 /nfs/dbraw/zinc/33/97/10/784339710.db2.gz YSXUBEAQMMERIO-GJZGRUSLSA-N 2 0 304.438 2.019 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681597 784538133 /nfs/dbraw/zinc/53/81/33/784538133.db2.gz KJFYIVPTHISITG-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968857082 784621205 /nfs/dbraw/zinc/62/12/05/784621205.db2.gz SLTOKWYLGGMSMK-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500167 784938098 /nfs/dbraw/zinc/93/80/98/784938098.db2.gz RAQBTQKNKWTSIP-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001108725675 785511076 /nfs/dbraw/zinc/51/10/76/785511076.db2.gz IKSITVJBDWYWEG-ZVZYQTTQSA-N 2 0 324.428 2.493 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086558512 786221741 /nfs/dbraw/zinc/22/17/41/786221741.db2.gz WRHFRIPQRCNUNT-JCNLHEQBSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112837808 786249862 /nfs/dbraw/zinc/24/98/62/786249862.db2.gz WGPSEJNBOWZHLH-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001112857352 786259253 /nfs/dbraw/zinc/25/92/53/786259253.db2.gz HGILIOJTFLHYGP-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001113348627 786539687 /nfs/dbraw/zinc/53/96/87/786539687.db2.gz VVGONRSSULEMHR-IRXDYDNUSA-N 2 0 309.498 2.299 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723262 786780048 /nfs/dbraw/zinc/78/00/48/786780048.db2.gz MXROZEWWEZWKOF-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015060037 786881041 /nfs/dbraw/zinc/88/10/41/786881041.db2.gz RMFQHMGBEQIZTM-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372685 787605962 /nfs/dbraw/zinc/60/59/62/787605962.db2.gz QVQOBWIOUDXMBT-UHFFFAOYSA-N 2 0 300.406 2.400 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265117 787995516 /nfs/dbraw/zinc/99/55/16/787995516.db2.gz IGDLXJJFKNTNMI-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365784 788042408 /nfs/dbraw/zinc/04/24/08/788042408.db2.gz PZGUEFSRNJQVPP-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064874 788270845 /nfs/dbraw/zinc/27/08/45/788270845.db2.gz QNAGQDCBIAKTES-GOEBONIOSA-N 2 0 319.449 2.215 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170819755 789377108 /nfs/dbraw/zinc/37/71/08/789377108.db2.gz PAEGVNZHSRJDHA-KRWDZBQOSA-N 2 0 323.868 2.312 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1ccnc1C(C)C ZINC001135625969 789420659 /nfs/dbraw/zinc/42/06/59/789420659.db2.gz PFZDJWLMKWZDTA-CABCVRRESA-N 2 0 306.454 2.456 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1ccnc1C(C)C ZINC001135625971 789420739 /nfs/dbraw/zinc/42/07/39/789420739.db2.gz PFZDJWLMKWZDTA-HUUCEWRRSA-N 2 0 306.454 2.456 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](CCC)CCC ZINC001135906119 789556329 /nfs/dbraw/zinc/55/63/29/789556329.db2.gz ZRSFMQWQUVWEIP-IRXDYDNUSA-N 2 0 309.498 2.395 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820595 789929253 /nfs/dbraw/zinc/92/92/53/789929253.db2.gz AJFKACFUPXSGQB-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071930574 789976941 /nfs/dbraw/zinc/97/69/41/789976941.db2.gz HCCVLSLNVYMMHO-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398474 791279156 /nfs/dbraw/zinc/27/91/56/791279156.db2.gz OZHBWQNSAZTPPM-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC2CC2)CC1 ZINC001146610943 791322555 /nfs/dbraw/zinc/32/25/55/791322555.db2.gz LBXFCNJDYFSERX-JKSUJKDBSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC=C)CC1 ZINC001146614572 791324555 /nfs/dbraw/zinc/32/45/55/791324555.db2.gz YPAJFVVZWMHUDD-IRXDYDNUSA-N 2 0 319.493 2.171 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147339627 791509827 /nfs/dbraw/zinc/50/98/27/791509827.db2.gz JPKJSURIYDQYEM-HNNXBMFYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001148146509 791692763 /nfs/dbraw/zinc/69/27/63/791692763.db2.gz FSQUBLJCAOAYJX-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148291797 791731129 /nfs/dbraw/zinc/73/11/29/791731129.db2.gz CKRVGZLGTLPRBE-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091855950 791894335 /nfs/dbraw/zinc/89/43/35/791894335.db2.gz BHBUTVCZONCRBZ-APWZRJJASA-N 2 0 324.428 2.304 20 30 DEEDRP 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 792091840 /nfs/dbraw/zinc/09/18/40/792091840.db2.gz BNOOANLEDRSCDE-HZMVEIRTSA-N 2 0 307.482 2.403 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001092906857 792168681 /nfs/dbraw/zinc/16/86/81/792168681.db2.gz KDMPOLHVULAJOH-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP 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 792239481 /nfs/dbraw/zinc/23/94/81/792239481.db2.gz FRTXRIHMASDQBV-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729638 792816998 /nfs/dbraw/zinc/81/69/98/792816998.db2.gz HGZMLBBITFEZEB-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001100856531 792882489 /nfs/dbraw/zinc/88/24/89/792882489.db2.gz ITUFGXJLNHZNJH-UHFFFAOYSA-N 2 0 321.509 2.396 20 30 DEEDRP 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 793054444 /nfs/dbraw/zinc/05/44/44/793054444.db2.gz OVYLXZXWQFJYJD-VSZNYVQBSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCOCc1nn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2c1C[NH2+]C2 ZINC001172119065 793341344 /nfs/dbraw/zinc/34/13/44/793341344.db2.gz SBHICEHQCNMSSC-QDMKHBRRSA-N 2 0 316.449 2.377 20 30 DEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172319844 793397356 /nfs/dbraw/zinc/39/73/56/793397356.db2.gz RLUDWVATICURFC-QGZVFWFLSA-N 2 0 314.477 2.059 20 30 DEEDRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@H](C)CCCC#N)C2)C1 ZINC001172496732 793437481 /nfs/dbraw/zinc/43/74/81/793437481.db2.gz PMVFWWWMFNMBBW-QZTJIDSGSA-N 2 0 323.481 2.130 20 30 DEEDRP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070581 793494105 /nfs/dbraw/zinc/49/41/05/793494105.db2.gz OBVMNHYLFQULHF-YUELXQCFSA-N 2 0 315.889 2.009 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001094954642 793509184 /nfs/dbraw/zinc/50/91/84/793509184.db2.gz DHQAMZVYMTYOIG-BPUTZDHNSA-N 2 0 310.401 2.103 20 30 DEEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H]1C#N ZINC001172982166 793551222 /nfs/dbraw/zinc/55/12/22/793551222.db2.gz VASLEKDHUDSCLS-AJNGGQMLSA-N 2 0 322.453 2.138 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928996 794094093 /nfs/dbraw/zinc/09/40/93/794094093.db2.gz NYBWHYZDAAPGOF-AWEZNQCLSA-N 2 0 307.438 2.405 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174905406 794098814 /nfs/dbraw/zinc/09/88/14/794098814.db2.gz KHCFNSHTLMPGNB-ULQDDVLXSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175566057 794243731 /nfs/dbraw/zinc/24/37/31/794243731.db2.gz PHVZGZRLINBIHE-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175711542 794279850 /nfs/dbraw/zinc/27/98/50/794279850.db2.gz WEAIYZBKMNOOSG-INIZCTEOSA-N 2 0 315.461 2.260 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317940 794639164 /nfs/dbraw/zinc/63/91/64/794639164.db2.gz NMWCAAYICXCBDC-UHFFFAOYSA-N 2 0 307.438 2.407 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115122801 794683698 /nfs/dbraw/zinc/68/36/98/794683698.db2.gz CXKIRAZJUGWFNV-FVQHAEBGSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535452 794812424 /nfs/dbraw/zinc/81/24/24/794812424.db2.gz WPDFGHGBFLJQSG-QGZVFWFLSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729329 794898091 /nfs/dbraw/zinc/89/80/91/794898091.db2.gz AQALZBRZWPLFGV-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902573 795026797 /nfs/dbraw/zinc/02/67/97/795026797.db2.gz XCHSPYNYUTYHAZ-VYDXJSESSA-N 2 0 307.482 2.404 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365912 795291697 /nfs/dbraw/zinc/29/16/97/795291697.db2.gz NZPZBYVFSALUJE-UHFFFAOYSA-N 2 0 307.482 2.152 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120448885 795462460 /nfs/dbraw/zinc/46/24/60/795462460.db2.gz HYPPAFYAWXUTCH-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120458663 795464655 /nfs/dbraw/zinc/46/46/55/795464655.db2.gz IEDCFQHHCLUECR-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001181679952 795519899 /nfs/dbraw/zinc/51/98/99/795519899.db2.gz LROSOZWBBNSCIF-MLGOLLRUSA-N 2 0 324.856 2.169 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001181680242 795519923 /nfs/dbraw/zinc/51/99/23/795519923.db2.gz STANSAGGSVHELO-CRAIPNDOSA-N 2 0 318.465 2.383 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001121474642 795635750 /nfs/dbraw/zinc/63/57/50/795635750.db2.gz CLVRQNYUKHOZBS-UHFFFAOYSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121930176 795705782 /nfs/dbraw/zinc/70/57/82/795705782.db2.gz WRJWXLRZUZFMAP-UHFFFAOYSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001121974237 795711183 /nfs/dbraw/zinc/71/11/83/795711183.db2.gz GZWVGAZPGVCRFA-DLBZAZTESA-N 2 0 319.449 2.098 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122106449 795726491 /nfs/dbraw/zinc/72/64/91/795726491.db2.gz GNSFPVMBDYKDBO-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001183075710 795795416 /nfs/dbraw/zinc/79/54/16/795795416.db2.gz CLADXOJILREULF-UHFFFAOYSA-N 2 0 301.434 2.381 20 30 DEEDRP 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 795823817 /nfs/dbraw/zinc/82/38/17/795823817.db2.gz NHFJSRQYAIMLLG-ZIFCJYIRSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183516902 795878734 /nfs/dbraw/zinc/87/87/34/795878734.db2.gz DTNIFMPSFPKPJP-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576546 795925757 /nfs/dbraw/zinc/92/57/57/795925757.db2.gz FXIQACKLGOWPDD-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184577886 796087117 /nfs/dbraw/zinc/08/71/17/796087117.db2.gz QAODRMKOCOXLMI-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184821365 796133325 /nfs/dbraw/zinc/13/33/25/796133325.db2.gz JQMLAFTTYXBSBK-CVEARBPZSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185053581 796171145 /nfs/dbraw/zinc/17/11/45/796171145.db2.gz UIRYUYBECVWWNB-IRXDYDNUSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1OC ZINC001138345137 796201148 /nfs/dbraw/zinc/20/11/48/796201148.db2.gz JXCOVXUQBLRHPN-SJORKVTESA-N 2 0 314.429 2.091 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185761566 796312062 /nfs/dbraw/zinc/31/20/62/796312062.db2.gz HSTLRNXXMFCXRT-ZFWWWQNUSA-N 2 0 315.889 2.153 20 30 DEEDRP COc1cc(C[NH+]2CCC(S)CC2)cc(C[NH+](C)C)c1O ZINC001139257855 796350445 /nfs/dbraw/zinc/35/04/45/796350445.db2.gz ITERBPQTZXCWSA-UHFFFAOYSA-N 2 0 310.463 2.357 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106562 796627392 /nfs/dbraw/zinc/62/73/92/796627392.db2.gz MRDXTBRKONWPFN-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084462 796935350 /nfs/dbraw/zinc/93/53/50/796935350.db2.gz NSMKORKPADPTCE-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190491573 797020768 /nfs/dbraw/zinc/02/07/68/797020768.db2.gz IQUWTLFYMDJPNY-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424834 797565180 /nfs/dbraw/zinc/56/51/80/797565180.db2.gz PYOUYOPZIWXHSO-QZTJIDSGSA-N 2 0 315.461 2.398 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203781260 797587528 /nfs/dbraw/zinc/58/75/28/797587528.db2.gz JVWMFQBFUKALBK-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001196201286 798019741 /nfs/dbraw/zinc/01/97/41/798019741.db2.gz XQWPHPMPSRTXPR-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001197158186 798157249 /nfs/dbraw/zinc/15/72/49/798157249.db2.gz KJQCWERMCBUOTH-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001157241364 798169081 /nfs/dbraw/zinc/16/90/81/798169081.db2.gz LAQUWLLOUHIQAL-OAHLLOKOSA-N 2 0 319.449 2.195 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198244229 798302612 /nfs/dbraw/zinc/30/26/12/798302612.db2.gz VFRNKRGUWUORSC-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C[NH+](C)CCC(C)(C)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001158754230 798462863 /nfs/dbraw/zinc/46/28/63/798462863.db2.gz UGNRWHNBXGQWLX-UHFFFAOYSA-N 2 0 301.438 2.131 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158764063 798465315 /nfs/dbraw/zinc/46/53/15/798465315.db2.gz NPFOAACFUJQFJU-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP N#Cc1cc(Nc2ccc3c(c2)C[C@H]([NH3+])C3)cc(C2C[NH2+]C2)c1 ZINC001159833553 798615077 /nfs/dbraw/zinc/61/50/77/798615077.db2.gz YKSPSKSLUOEUTR-QGZVFWFLSA-N 2 0 304.397 2.415 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119954 798650118 /nfs/dbraw/zinc/65/01/18/798650118.db2.gz HYPCVLRRKAKLDA-KRWDZBQOSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160132005 798651899 /nfs/dbraw/zinc/65/18/99/798651899.db2.gz ZPIDZBLBSMCROC-MSOLQXFVSA-N 2 0 317.477 2.185 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175284 798658171 /nfs/dbraw/zinc/65/81/71/798658171.db2.gz JYEFGLRTHBQTGE-SJLPKXTDSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214779857 798803687 /nfs/dbraw/zinc/80/36/87/798803687.db2.gz BBUGWNZMRSZUAL-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001201940485 798809871 /nfs/dbraw/zinc/80/98/71/798809871.db2.gz BUHMZYLOFUPOLN-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207427 798810407 /nfs/dbraw/zinc/81/04/07/798810407.db2.gz UDHNQSDUHYOFLH-AEFFLSMTSA-N 2 0 319.493 2.289 20 30 DEEDRP 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 798843831 /nfs/dbraw/zinc/84/38/31/798843831.db2.gz SZVLCRKWAUCDEZ-HHARLNAUSA-N 2 0 305.466 2.014 20 30 DEEDRP CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc(CC#N)ccn2)CC1 ZINC001165109093 799652229 /nfs/dbraw/zinc/65/22/29/799652229.db2.gz NAEGHMBYAOEIMH-KRWDZBQOSA-N 2 0 314.433 2.227 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391655 799865544 /nfs/dbraw/zinc/86/55/44/799865544.db2.gz XNNRZXUWQFMLHR-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166751417 799940752 /nfs/dbraw/zinc/94/07/52/799940752.db2.gz QSMDMQHWZGXOLR-UHFFFAOYSA-N 2 0 323.868 2.009 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316661 800036442 /nfs/dbraw/zinc/03/64/42/800036442.db2.gz IJISLKHKHMJTQW-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524056 800069321 /nfs/dbraw/zinc/06/93/21/800069321.db2.gz SXQAHYJFKVOJPU-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2O)CC1 ZINC001203560664 800081257 /nfs/dbraw/zinc/08/12/57/800081257.db2.gz FKZRVNDQYXLZDZ-UHFFFAOYSA-N 2 0 315.461 2.184 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739950 800115426 /nfs/dbraw/zinc/11/54/26/800115426.db2.gz MLAAWPHKUZEFBR-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772406 800120047 /nfs/dbraw/zinc/12/00/47/800120047.db2.gz SHOUPXXSGTYIJF-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770391 800120451 /nfs/dbraw/zinc/12/04/51/800120451.db2.gz FPLMAXQLEXSQKI-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205221879 800322212 /nfs/dbraw/zinc/32/22/12/800322212.db2.gz XPKIDASEILJAFM-SFHVURJKSA-N 2 0 304.434 2.317 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205314039 800342168 /nfs/dbraw/zinc/34/21/68/800342168.db2.gz RISLFLIGDNPWOQ-SFHVURJKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415531 800354683 /nfs/dbraw/zinc/35/46/83/800354683.db2.gz AJQWZEZBKSHSBP-MRXNPFEDSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519126 800368100 /nfs/dbraw/zinc/36/81/00/800368100.db2.gz WOGPMDDHUUMARC-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874922 800612549 /nfs/dbraw/zinc/61/25/49/800612549.db2.gz NWRWUWZLGJKUSP-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206877966 800613437 /nfs/dbraw/zinc/61/34/37/800613437.db2.gz OHSJKJGBGGPRDO-UHFFFAOYSA-N 2 0 316.449 2.166 20 30 DEEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281836 800722452 /nfs/dbraw/zinc/72/24/52/800722452.db2.gz HSQCCYUSLXCLDZ-SJLPKXTDSA-N 2 0 310.482 2.400 20 30 DEEDRP 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 800855654 /nfs/dbraw/zinc/85/56/54/800855654.db2.gz LZYRQILQHFZDEX-BDXSIMOUSA-N 2 0 319.493 2.098 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208110462 800914284 /nfs/dbraw/zinc/91/42/84/800914284.db2.gz STOTVSFCAJUUNU-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208358779 800965970 /nfs/dbraw/zinc/96/59/70/800965970.db2.gz NFZHCQQOFNOJBD-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485651 800994241 /nfs/dbraw/zinc/99/42/41/800994241.db2.gz PAWYCNUHWVKCOR-BFYDXBDKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208564045 801013845 /nfs/dbraw/zinc/01/38/45/801013845.db2.gz JYFANYRDRTXRBY-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208747526 801062014 /nfs/dbraw/zinc/06/20/14/801062014.db2.gz CHWLDMATDCPQAL-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C[NH+](C)CCCN1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208853114 801079751 /nfs/dbraw/zinc/07/97/51/801079751.db2.gz DNDLGXBWUUKDHG-UHFFFAOYSA-N 2 0 314.477 2.060 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847362 801765840 /nfs/dbraw/zinc/76/58/40/801765840.db2.gz CLAORYQGCPVXJK-BZUAXINKSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214850229 801766202 /nfs/dbraw/zinc/76/62/02/801766202.db2.gz RFUQPRPGQSROOK-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397385 801856019 /nfs/dbraw/zinc/85/60/19/801856019.db2.gz YIFUHUJDLURXKI-LTIDMASMSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215778573 801903695 /nfs/dbraw/zinc/90/36/95/801903695.db2.gz SMDBUDBLGAFEIL-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216314526 801963026 /nfs/dbraw/zinc/96/30/26/801963026.db2.gz OPWOCPYOBMUKFC-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846629 802034236 /nfs/dbraw/zinc/03/42/36/802034236.db2.gz QKUMQSUGBFUCIR-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218994342 802272123 /nfs/dbraw/zinc/27/21/23/802272123.db2.gz IGKQBYRKWSWTLI-INIZCTEOSA-N 2 0 320.396 2.060 20 30 DEEDRP C=C1C[NH2+][C@](C)(C(=O)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC001220538700 802472496 /nfs/dbraw/zinc/47/24/96/802472496.db2.gz ZJLYQILRKGNEQI-ZJIILYSQSA-N 2 0 317.477 2.051 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1cccc(OC)c1 ZINC001221403724 802567585 /nfs/dbraw/zinc/56/75/85/802567585.db2.gz DRUUCCYXOQEBPE-DLBZAZTESA-N 2 0 319.449 2.275 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001223024217 802759342 /nfs/dbraw/zinc/75/93/42/802759342.db2.gz VONQWTPCWQKXLB-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489860 802795669 /nfs/dbraw/zinc/79/56/69/802795669.db2.gz ZOECYDANCNAOGE-IKGGRYGDSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245730 802851387 /nfs/dbraw/zinc/85/13/87/802851387.db2.gz BBCFVGKMRXEKMR-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225168381 802941993 /nfs/dbraw/zinc/94/19/93/802941993.db2.gz VXSYVOBORCFFEZ-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001331069167 1149373942 /nfs/dbraw/zinc/37/39/42/1149373942.db2.gz SAHZRNIZNJHUBF-UHFFFAOYSA-N 2 0 315.889 2.394 20 30 DEEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331529537 1149509907 /nfs/dbraw/zinc/50/99/07/1149509907.db2.gz KVEQPIJSIKJOAR-AEFFLSMTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001343429495 1150741674 /nfs/dbraw/zinc/74/16/74/1150741674.db2.gz AVMISQZOAFKBRS-RDJZCZTQSA-N 2 0 303.450 2.307 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001500111555 1058498549 /nfs/dbraw/zinc/49/85/49/1058498549.db2.gz QRGZGRUTBNFULK-WBVHZDCISA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001500241870 1058628186 /nfs/dbraw/zinc/62/81/86/1058628186.db2.gz BZNFNKSRKNOUKG-LJQANCHMSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001500416487 1058764160 /nfs/dbraw/zinc/76/41/60/1058764160.db2.gz QNLYSYWFKRPMNG-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001501394625 1059487765 /nfs/dbraw/zinc/48/77/65/1059487765.db2.gz IJCITNYGFVGACP-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001501625363 1059583670 /nfs/dbraw/zinc/58/36/70/1059583670.db2.gz IOLOHTCMRSKDHU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001502839052 1060350022 /nfs/dbraw/zinc/35/00/22/1060350022.db2.gz QUBTXRXGELTFSJ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001502967171 1060407967 /nfs/dbraw/zinc/40/79/67/1060407967.db2.gz HLKYUXJHDSJLBW-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505430579 1060579532 /nfs/dbraw/zinc/57/95/32/1060579532.db2.gz FBDIQHSDDSXUNA-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505445490 1060608919 /nfs/dbraw/zinc/60/89/19/1060608919.db2.gz WGZZRAHXJCIQPT-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001479591530 1061513544 /nfs/dbraw/zinc/51/35/44/1061513544.db2.gz XQTUALZOOXWONO-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001479687378 1061599188 /nfs/dbraw/zinc/59/91/88/1061599188.db2.gz GARYNMJUSBPHDJ-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506661043 1062249360 /nfs/dbraw/zinc/24/93/60/1062249360.db2.gz BLSKLKMPCRDJBX-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001480140754 1062377102 /nfs/dbraw/zinc/37/71/02/1062377102.db2.gz GJKFJDVEPNCEFL-QBPKDAKJSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001480190231 1062442009 /nfs/dbraw/zinc/44/20/09/1062442009.db2.gz YNDVNPFPVJPCEM-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190345 1062442946 /nfs/dbraw/zinc/44/29/46/1062442946.db2.gz ZVJBHTKUQNHSTF-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506907815 1062497003 /nfs/dbraw/zinc/49/70/03/1062497003.db2.gz YWJJMSIIXDKKQT-BRWVUGGUSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001480362790 1062715313 /nfs/dbraw/zinc/71/53/13/1062715313.db2.gz MVQJVZPMOKJDAM-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480697276 1063204254 /nfs/dbraw/zinc/20/42/54/1063204254.db2.gz LRBPOAPMAQGXRS-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507386505 1063208758 /nfs/dbraw/zinc/20/87/58/1063208758.db2.gz LZSIESDYPVKJER-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480742720 1063283757 /nfs/dbraw/zinc/28/37/57/1063283757.db2.gz QYLDHIJDBMIHJV-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001508145626 1063580522 /nfs/dbraw/zinc/58/05/22/1063580522.db2.gz OKNWKALJLMTBEA-HTWSVDAQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001508230314 1063623586 /nfs/dbraw/zinc/62/35/86/1063623586.db2.gz TXMJGOPXGXYJPR-SFHVURJKSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001493260817 1063676632 /nfs/dbraw/zinc/67/66/32/1063676632.db2.gz UQGGPRFSTSQTQF-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001567456149 1064206381 /nfs/dbraw/zinc/20/63/81/1064206381.db2.gz QNKRMAFVVGZMOY-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001567503232 1064229000 /nfs/dbraw/zinc/22/90/00/1064229000.db2.gz WYKTYNLVMBCGPH-UHFFFAOYSA-N 2 0 309.479 2.438 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567713202 1064369433 /nfs/dbraw/zinc/36/94/33/1064369433.db2.gz YSYMDTXNZROACL-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567742788 1064396486 /nfs/dbraw/zinc/39/64/86/1064396486.db2.gz USSMKGRNQDTMOV-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494900536 1064561075 /nfs/dbraw/zinc/56/10/75/1064561075.db2.gz NTRJLIDSPFHKOV-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C[NH2+]CC)CCCC[C@H]2C)CC1 ZINC001568043517 1064615616 /nfs/dbraw/zinc/61/56/16/1064615616.db2.gz LOKKYMWEAOFIPZ-APWZRJJASA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C[NH2+]CC)CCCC[C@@H]2C)CC1 ZINC001568043519 1064615717 /nfs/dbraw/zinc/61/57/17/1064615717.db2.gz LOKKYMWEAOFIPZ-QFBILLFUSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001495034161 1064655064 /nfs/dbraw/zinc/65/50/64/1064655064.db2.gz HQSIBLDDWFSHOX-ZDUSSCGKSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568329277 1064781819 /nfs/dbraw/zinc/78/18/19/1064781819.db2.gz VIXZGABFKMWSOY-ZWKOTPCHSA-N 2 0 321.509 2.415 20 30 DEEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)CCC[NH+]1CCCCC1)C1CC1 ZINC001495302958 1064818988 /nfs/dbraw/zinc/81/89/88/1064818988.db2.gz METFDYBGEQBLTB-LJQANCHMSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001495319563 1064828547 /nfs/dbraw/zinc/82/85/47/1064828547.db2.gz HJCYCANFALJWPQ-CZUORRHYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001568408485 1064846075 /nfs/dbraw/zinc/84/60/75/1064846075.db2.gz AGZXTZIJFGKRDF-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001495369546 1064865583 /nfs/dbraw/zinc/86/55/83/1064865583.db2.gz GELVZRURSAFAAH-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568506561 1064919650 /nfs/dbraw/zinc/91/96/50/1064919650.db2.gz QQKCUDQRAGTAPE-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568531188 1064942532 /nfs/dbraw/zinc/94/25/32/1064942532.db2.gz NPORNTAFHRZDRY-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001568537523 1064949163 /nfs/dbraw/zinc/94/91/63/1064949163.db2.gz RZHHJJYAKPMBIW-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569123261 1065305317 /nfs/dbraw/zinc/30/53/17/1065305317.db2.gz SBVZUKFCFJBXNP-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCC)CC1 ZINC001496425174 1065463341 /nfs/dbraw/zinc/46/33/41/1065463341.db2.gz CZSXVSYTUUEMOJ-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001569442591 1065510711 /nfs/dbraw/zinc/51/07/11/1065510711.db2.gz AFSGAUAUAQNXLU-MGNMYUMUSA-N 2 0 305.466 2.016 20 30 DEEDRP C#CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001569450870 1065514502 /nfs/dbraw/zinc/51/45/02/1065514502.db2.gz NFODVQMAVVSNHX-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569672289 1065664355 /nfs/dbraw/zinc/66/43/55/1065664355.db2.gz FOQIPYBLEPNVMP-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001569699967 1065677975 /nfs/dbraw/zinc/67/79/75/1065677975.db2.gz KAOHAWVPHFIRDU-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001496871514 1065768786 /nfs/dbraw/zinc/76/87/86/1065768786.db2.gz ZJBIENXRJHEATP-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001569867302 1065776480 /nfs/dbraw/zinc/77/64/80/1065776480.db2.gz RADFPCIJJRTGMW-IYARVYRRSA-N 2 0 319.493 2.008 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497265965 1065998080 /nfs/dbraw/zinc/99/80/80/1065998080.db2.gz BQXAGEPFWFFJST-ZDUSSCGKSA-N 2 0 303.878 2.201 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001570375235 1066038895 /nfs/dbraw/zinc/03/88/95/1066038895.db2.gz NAZTYVPRYGBOII-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497828146 1066349801 /nfs/dbraw/zinc/34/98/01/1066349801.db2.gz UEOFSIAGZWWYGR-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC(C)(C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001632011647 1078377159 /nfs/dbraw/zinc/37/71/59/1078377159.db2.gz LHXOTLOZWBSVBB-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001498776631 1066882399 /nfs/dbraw/zinc/88/23/99/1066882399.db2.gz CYGPHOXCCPAQCD-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(C[NH3+])CCC1 ZINC001578461163 1067109054 /nfs/dbraw/zinc/10/90/54/1067109054.db2.gz FNAJZUVLEZJXQV-UHFFFAOYSA-N 2 0 320.824 2.353 20 30 DEEDRP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001499531225 1067248737 /nfs/dbraw/zinc/24/87/37/1067248737.db2.gz TYQJNHSJTVJSMO-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267009813 1078496301 /nfs/dbraw/zinc/49/63/01/1078496301.db2.gz WLJULGQPNSQGNO-ROUUACIJSA-N 2 0 321.509 2.489 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001499576265 1067264332 /nfs/dbraw/zinc/26/43/32/1067264332.db2.gz ILPADROCKPNZMF-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483466795 1078552129 /nfs/dbraw/zinc/55/21/29/1078552129.db2.gz PRDHCUQPYRZPDW-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001670868102 1078644192 /nfs/dbraw/zinc/64/41/92/1078644192.db2.gz GGHABFCYFQHCNG-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001570796023 1068119742 /nfs/dbraw/zinc/11/97/42/1068119742.db2.gz BCPQFZWIBAQXOX-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001571022042 1068173916 /nfs/dbraw/zinc/17/39/16/1068173916.db2.gz LEEGZUUBKPJDNM-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001493296209 1078663550 /nfs/dbraw/zinc/66/35/50/1078663550.db2.gz IKCGAUCEMWVFHI-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001571364263 1068250231 /nfs/dbraw/zinc/25/02/31/1068250231.db2.gz WJIZXLQZZGPLHQ-KRWDZBQOSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001571508291 1068368372 /nfs/dbraw/zinc/36/83/72/1068368372.db2.gz CVMGKVBUHKDXEO-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001571550365 1068415330 /nfs/dbraw/zinc/41/53/30/1068415330.db2.gz ODCAXXHITMETKL-QZTJIDSGSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001571660645 1068466722 /nfs/dbraw/zinc/46/67/22/1068466722.db2.gz KXIJCCJEOKMFFX-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001571669722 1068471076 /nfs/dbraw/zinc/47/10/76/1068471076.db2.gz LSYPFUUAONDLRP-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267302964 1078749159 /nfs/dbraw/zinc/74/91/59/1078749159.db2.gz JCRBAVQFPINYKS-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN(C(=O)CCCCC1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001574583720 1069241074 /nfs/dbraw/zinc/24/10/74/1069241074.db2.gz METNNMHLSJFDFC-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC1(CC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[NH2+]C1 ZINC001574879595 1069284022 /nfs/dbraw/zinc/28/40/22/1069284022.db2.gz GKWXDDGCCBDLOG-OAHLLOKOSA-N 2 0 321.852 2.225 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001279163682 1078890821 /nfs/dbraw/zinc/89/08/21/1078890821.db2.gz CDGLBUDXOYURCP-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566534201 1072618818 /nfs/dbraw/zinc/61/88/18/1072618818.db2.gz JMAAHWJCDZLQOH-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267591130 1079103875 /nfs/dbraw/zinc/10/38/75/1079103875.db2.gz AIVULHSOOYRDCW-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001484009216 1079240491 /nfs/dbraw/zinc/24/04/91/1079240491.db2.gz ZIUNNLDVZMWPME-KRWDZBQOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484011941 1079241383 /nfs/dbraw/zinc/24/13/83/1079241383.db2.gz NPDSHGQEXXMFAT-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001481175023 1079290353 /nfs/dbraw/zinc/29/03/53/1079290353.db2.gz AOYNFQBVWBNSML-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484106124 1079304797 /nfs/dbraw/zinc/30/47/97/1079304797.db2.gz DLDVTEWAJZVKNQ-XYJFISCASA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001484113199 1079305344 /nfs/dbraw/zinc/30/53/44/1079305344.db2.gz DRMYHFYMSIGGMX-PBHICJAKSA-N 2 0 304.438 2.135 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484107173 1079306540 /nfs/dbraw/zinc/30/65/40/1079306540.db2.gz JEUORDAWGIUVSF-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001565855225 1075197808 /nfs/dbraw/zinc/19/78/08/1075197808.db2.gz HRMDCXNOXUEAAF-BMFAXAFESA-N 2 0 319.493 2.311 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001566732279 1075328680 /nfs/dbraw/zinc/32/86/80/1075328680.db2.gz AFDONSHUZFBIEN-MSOLQXFVSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001566906570 1075380240 /nfs/dbraw/zinc/38/02/40/1075380240.db2.gz LCOCXVKGALUABX-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054444 1075423987 /nfs/dbraw/zinc/42/39/87/1075423987.db2.gz RLELFCMBXCORKT-WMLDXEAASA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001567126649 1075438226 /nfs/dbraw/zinc/43/82/26/1075438226.db2.gz AZUAUAPTLVMDOR-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567195662 1075461032 /nfs/dbraw/zinc/46/10/32/1075461032.db2.gz BDHNVMHUCZZCEC-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267831736 1079522279 /nfs/dbraw/zinc/52/22/79/1079522279.db2.gz SUCHQIVHAPJYLK-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001267948362 1079627154 /nfs/dbraw/zinc/62/71/54/1079627154.db2.gz AYPMFTAIAXMZFP-IYBDPMFKSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001484663012 1079716688 /nfs/dbraw/zinc/71/66/88/1079716688.db2.gz DIANBJFDGUVHPW-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001484943079 1079876814 /nfs/dbraw/zinc/87/68/14/1079876814.db2.gz UOFCEOIQQXVNRP-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001485092232 1079976221 /nfs/dbraw/zinc/97/62/21/1079976221.db2.gz LAOHALATKGQAJJ-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001481516043 1079983647 /nfs/dbraw/zinc/98/36/47/1079983647.db2.gz KMEVETZRRSBTNJ-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001485254257 1080088908 /nfs/dbraw/zinc/08/89/08/1080088908.db2.gz ZDNVBNABUHMXIN-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001268137939 1080105317 /nfs/dbraw/zinc/10/53/17/1080105317.db2.gz NRRJBBNRYOMBAB-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001656763941 1080121420 /nfs/dbraw/zinc/12/14/20/1080121420.db2.gz VDTUIJMPSQCYOU-RCCFBDPRSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268161814 1080139534 /nfs/dbraw/zinc/13/95/34/1080139534.db2.gz QVPHEEBYYKJGIS-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001268199945 1080185510 /nfs/dbraw/zinc/18/55/10/1080185510.db2.gz NRWLNZIPQYBWCD-WMZOPIPTSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001485437656 1080206970 /nfs/dbraw/zinc/20/69/70/1080206970.db2.gz JKFXOVUDMNJGTP-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001485455649 1080216829 /nfs/dbraw/zinc/21/68/29/1080216829.db2.gz QSNBPSXHKYAXSS-UHFFFAOYSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001485468344 1080224666 /nfs/dbraw/zinc/22/46/66/1080224666.db2.gz KXEAAZWQIVBZBA-OAHLLOKOSA-N 2 0 315.889 2.345 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCCC(C)C)CC1 ZINC001268259530 1080237841 /nfs/dbraw/zinc/23/78/41/1080237841.db2.gz NAHSTXPBHQYSDZ-UHFFFAOYSA-N 2 0 321.509 2.158 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753354 1080440774 /nfs/dbraw/zinc/44/07/74/1080440774.db2.gz SVYNURZWHOJDEC-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001661142345 1080447229 /nfs/dbraw/zinc/44/72/29/1080447229.db2.gz JPSVIDAXAQTTGO-SJORKVTESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001661178129 1080452410 /nfs/dbraw/zinc/45/24/10/1080452410.db2.gz UUXXNDDPZDEULC-QGZVFWFLSA-N 2 0 301.434 2.032 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001661220698 1080459162 /nfs/dbraw/zinc/45/91/62/1080459162.db2.gz IZWAKXRNKKWBOK-ULQDDVLXSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001661752955 1080517986 /nfs/dbraw/zinc/51/79/86/1080517986.db2.gz QXIREPNMFQGPSN-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@@H]1C ZINC001481964830 1080656212 /nfs/dbraw/zinc/65/62/12/1080656212.db2.gz TWVYRLRFJVIKOR-FUHWJXTLSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001481992113 1080675399 /nfs/dbraw/zinc/67/53/99/1080675399.db2.gz UYFWQYDEWVIGNB-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001481992108 1080675433 /nfs/dbraw/zinc/67/54/33/1080675433.db2.gz UYFWQYDEWVIGNB-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001482071194 1080776109 /nfs/dbraw/zinc/77/61/09/1080776109.db2.gz BWQSPNFCOWNWFP-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001664457434 1080912315 /nfs/dbraw/zinc/91/23/15/1080912315.db2.gz OGVQSLAJGPZEIU-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001664457580 1080912775 /nfs/dbraw/zinc/91/27/75/1080912775.db2.gz RLNOEDMQVQBOHO-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001664457392 1080912878 /nfs/dbraw/zinc/91/28/78/1080912878.db2.gz NLVVUZOPUDKIEW-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001664686633 1080942427 /nfs/dbraw/zinc/94/24/27/1080942427.db2.gz MKIKNFOZKOOZPY-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001664760813 1080957074 /nfs/dbraw/zinc/95/70/74/1080957074.db2.gz ZGLHDGHUMRYESH-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001665425037 1081026912 /nfs/dbraw/zinc/02/69/12/1081026912.db2.gz FLYIPZCYUKRLAY-IRXDYDNUSA-N 2 0 319.493 2.338 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665720325 1081071064 /nfs/dbraw/zinc/07/10/64/1081071064.db2.gz HOOINWLIXFWYLS-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001666017576 1081111714 /nfs/dbraw/zinc/11/17/14/1081111714.db2.gz RTLFLYVIDNTFPM-RLFYNMQTSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269129462 1081130374 /nfs/dbraw/zinc/13/03/74/1081130374.db2.gz KDOYKOPEUBESJD-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001269138370 1081135118 /nfs/dbraw/zinc/13/51/18/1081135118.db2.gz JHZKPAAYWXIGTB-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001269403608 1081239401 /nfs/dbraw/zinc/23/94/01/1081239401.db2.gz YGUPLQJOYZAMJF-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC(C)(C)C)CC1 ZINC001667669637 1081272225 /nfs/dbraw/zinc/27/22/25/1081272225.db2.gz XPBGHKQMVQNWAJ-UHFFFAOYSA-N 2 0 321.509 2.158 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001269558144 1081290695 /nfs/dbraw/zinc/29/06/95/1081290695.db2.gz WXDWYVVJLXDQKD-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001270018264 1081428329 /nfs/dbraw/zinc/42/83/29/1081428329.db2.gz USPKHNDKNWJUQX-ULQDDVLXSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669911309 1081478934 /nfs/dbraw/zinc/47/89/34/1081478934.db2.gz UWFXYIPJLFUUNQ-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001671542792 1081522989 /nfs/dbraw/zinc/52/29/89/1081522989.db2.gz XBCYQOMQCNFNTD-ZWKOTPCHSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001482411736 1081800397 /nfs/dbraw/zinc/80/03/97/1081800397.db2.gz AAECLBWSIKLVLM-QZTJIDSGSA-N 2 0 321.509 2.251 20 30 DEEDRP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001673878143 1081807250 /nfs/dbraw/zinc/80/72/50/1081807250.db2.gz NIWQNMGNYFCNDH-RDJZCZTQSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001674506643 1081885598 /nfs/dbraw/zinc/88/55/98/1081885598.db2.gz YWLPVFNHILNLDP-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001271560827 1082081580 /nfs/dbraw/zinc/08/15/80/1082081580.db2.gz MNYIKOFPHJKBFA-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271653941 1082100845 /nfs/dbraw/zinc/10/08/45/1082100845.db2.gz AQZZCQKXAREHLT-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001271665159 1082104721 /nfs/dbraw/zinc/10/47/21/1082104721.db2.gz IQFFRMJBOUSVNS-IRXDYDNUSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001271884603 1082180839 /nfs/dbraw/zinc/18/08/39/1082180839.db2.gz KTBOMJCQWXRSFQ-ULQDDVLXSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266819983 1082369245 /nfs/dbraw/zinc/36/92/45/1082369245.db2.gz HEKUSQZBGNAJDT-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001482686410 1082483556 /nfs/dbraw/zinc/48/35/56/1082483556.db2.gz JVCWYDQOJGZLGX-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001272216873 1082677690 /nfs/dbraw/zinc/67/76/90/1082677690.db2.gz XYUSKCHZIOWHDC-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cc(C#N)n(C)c4)C[C@H]32)cc[nH+]1 ZINC001277065122 1083756218 /nfs/dbraw/zinc/75/62/18/1083756218.db2.gz VACXHFMHESSVSY-QFBILLFUSA-N 2 0 321.428 2.311 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001277273407 1083888559 /nfs/dbraw/zinc/88/85/59/1083888559.db2.gz DTQLRHBPOYCEMJ-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001277448018 1083975859 /nfs/dbraw/zinc/97/58/59/1083975859.db2.gz UXTDBEWLSVDRDA-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2cc[nH+]cc2)cc1C#N ZINC001277694697 1084099846 /nfs/dbraw/zinc/09/98/46/1084099846.db2.gz UDOSXTJASDCFGZ-ROUUACIJSA-N 2 0 307.401 2.145 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001670969690 1084175373 /nfs/dbraw/zinc/17/53/73/1084175373.db2.gz VVGUCHUMFBNAFJ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485833428 1084282674 /nfs/dbraw/zinc/28/26/74/1084282674.db2.gz UIWMAZXVVYBEIN-NVXWUHKLSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512796 1084452544 /nfs/dbraw/zinc/45/25/44/1084452544.db2.gz KMJKZZPCDQZXKO-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235631524 1084480601 /nfs/dbraw/zinc/48/06/01/1084480601.db2.gz AGROFNTXAXWEKS-IAGOWNOFSA-N 2 0 316.449 2.026 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001078670054 1084802264 /nfs/dbraw/zinc/80/22/64/1084802264.db2.gz DJVBNWZAFWVNHK-HOTGVXAUSA-N 2 0 310.401 2.151 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485930188 1085001890 /nfs/dbraw/zinc/00/18/90/1085001890.db2.gz NLLUYOJTGSQLEN-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494159713 1085369385 /nfs/dbraw/zinc/36/93/85/1085369385.db2.gz MICQMKMZLHJHHX-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CN1CC2(CCC1=O)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001273031532 1086043054 /nfs/dbraw/zinc/04/30/54/1086043054.db2.gz XYJUXCRJNOXMFQ-UHFFFAOYSA-N 2 0 319.493 2.267 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000963612952 1086512957 /nfs/dbraw/zinc/51/29/57/1086512957.db2.gz GAONDIXPKRAPDB-ABHNRTSZSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000963860858 1086577239 /nfs/dbraw/zinc/57/72/39/1086577239.db2.gz BSAQCANALQYPOC-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001273146435 1086999010 /nfs/dbraw/zinc/99/90/10/1086999010.db2.gz MBEUKOJTVZGJCE-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957516765 1088371146 /nfs/dbraw/zinc/37/11/46/1088371146.db2.gz BOJZPADNAJCVHK-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751019 1088400709 /nfs/dbraw/zinc/40/07/09/1088400709.db2.gz SAEXGHWZRZAWCZ-VQFNDLOPSA-N 2 0 309.498 2.345 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560358 1088410987 /nfs/dbraw/zinc/41/09/87/1088410987.db2.gz XIXRNLQJYDCZMN-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001273200574 1088632879 /nfs/dbraw/zinc/63/28/79/1088632879.db2.gz DIZBLGBPNYOMDN-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001273205401 1090005591 /nfs/dbraw/zinc/00/55/91/1090005591.db2.gz ZZOXGMVMNPDGGH-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084429226 1090287489 /nfs/dbraw/zinc/28/74/89/1090287489.db2.gz UKMHPTGZNBESBF-ZACQAIPSSA-N 2 0 307.482 2.072 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014279 1090589829 /nfs/dbraw/zinc/58/98/29/1090589829.db2.gz QRCLZWMVBMOZHR-SQNIBIBYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274430119 1091238061 /nfs/dbraw/zinc/23/80/61/1091238061.db2.gz KJVTVTZTMZVXGR-JEZUCGJFSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001276225983 1091717437 /nfs/dbraw/zinc/71/74/37/1091717437.db2.gz HMRDTHBAOOPDMP-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001273802452 1092064512 /nfs/dbraw/zinc/06/45/12/1092064512.db2.gz ZRZJZRJIOBAIPU-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001446436712 1092095798 /nfs/dbraw/zinc/09/57/98/1092095798.db2.gz BUNZNGXIAGOLLN-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001275804613 1092159334 /nfs/dbraw/zinc/15/93/34/1092159334.db2.gz GHMBVSBOIBNTLL-IRXDYDNUSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001489238512 1092999917 /nfs/dbraw/zinc/99/99/17/1092999917.db2.gz MONAKNPWRMVXLL-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001490312374 1093304053 /nfs/dbraw/zinc/30/40/53/1093304053.db2.gz OTTXLRPWCMTOBI-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001490606030 1093443985 /nfs/dbraw/zinc/44/39/85/1093443985.db2.gz PKQOUIPUNXEPQS-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCOc1cccc(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)c1 ZINC001236932375 1138460524 /nfs/dbraw/zinc/46/05/24/1138460524.db2.gz MLFNFHBWOVSDQB-SFHVURJKSA-N 2 0 317.477 2.367 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281951052 1138856959 /nfs/dbraw/zinc/85/69/59/1138856959.db2.gz DETASDXIMHKFQI-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001491804801 1140316741 /nfs/dbraw/zinc/31/67/41/1140316741.db2.gz KQELRUDVPDIBQF-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318852608 1140437684 /nfs/dbraw/zinc/43/76/84/1140437684.db2.gz XONDPNMZGSPJBG-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001278408581 1140711075 /nfs/dbraw/zinc/71/10/75/1140711075.db2.gz FXNDAKQGZRPIQQ-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001245997283 1140843599 /nfs/dbraw/zinc/84/35/99/1140843599.db2.gz CGWBJKOZQZESTN-ROUUACIJSA-N 2 0 322.424 2.020 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019837 1140846924 /nfs/dbraw/zinc/84/69/24/1140846924.db2.gz ATEPDJTWKZZLRR-BZSNNMDCSA-N 2 0 311.514 2.124 20 30 DEEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723995 1141045996 /nfs/dbraw/zinc/04/59/96/1141045996.db2.gz SVQGRYIISBQRIB-JKHFOPOESA-N 2 0 320.477 2.343 20 30 DEEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723997 1141047185 /nfs/dbraw/zinc/04/71/85/1141047185.db2.gz SVQGRYIISBQRIB-VEHMJYNQSA-N 2 0 320.477 2.343 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001323114718 1141813994 /nfs/dbraw/zinc/81/39/94/1141813994.db2.gz UPWSFDDYODIOBT-DLBZAZTESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001323358079 1141845250 /nfs/dbraw/zinc/84/52/50/1141845250.db2.gz RFAFPCBWSZLSBI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C[NH+]1CCC2(CC[N@H+](Cc3cnn4ccc(C#N)cc34)C2)CC1 ZINC001249112893 1141850435 /nfs/dbraw/zinc/85/04/35/1141850435.db2.gz ALRIMZGKJHDMAK-UHFFFAOYSA-N 2 0 309.417 2.124 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001278579580 1142234508 /nfs/dbraw/zinc/23/45/08/1142234508.db2.gz LNQMSHRRXBRHII-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCOC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001252470203 1142723292 /nfs/dbraw/zinc/72/32/92/1142723292.db2.gz IWOKXSPABFIJPR-MOPGFXCFSA-N 2 0 318.461 2.004 20 30 DEEDRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001254638776 1143293135 /nfs/dbraw/zinc/29/31/35/1143293135.db2.gz QLWXXHCMKSLDDG-QFBILLFUSA-N 2 0 312.461 2.216 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001278911777 1143830041 /nfs/dbraw/zinc/83/00/41/1143830041.db2.gz DYGPGFRQQOZFJD-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257684545 1143949413 /nfs/dbraw/zinc/94/94/13/1143949413.db2.gz UZRXBEVBELFXKQ-QGZVFWFLSA-N 2 0 309.523 2.174 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279047325 1143953779 /nfs/dbraw/zinc/95/37/79/1143953779.db2.gz WFSDUQLTRQRSPI-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001263864024 1144415808 /nfs/dbraw/zinc/41/58/08/1144415808.db2.gz LRAHTIKIKHLKHJ-JYJNAYRXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001263928074 1144424943 /nfs/dbraw/zinc/42/49/43/1144424943.db2.gz UALQNTDDFPYZAB-SCTDSRPQSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001264187332 1144500698 /nfs/dbraw/zinc/50/06/98/1144500698.db2.gz OSEWELMKSIJEET-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001264408551 1144531554 /nfs/dbraw/zinc/53/15/54/1144531554.db2.gz LNKUVSGCRQBEAX-NCOADZHNSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264652077 1144585623 /nfs/dbraw/zinc/58/56/23/1144585623.db2.gz SECVCUVWZWBOIU-IKGGRYGDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001265656282 1144723880 /nfs/dbraw/zinc/72/38/80/1144723880.db2.gz ZHJKIMXRVMLGNQ-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266062726 1144801812 /nfs/dbraw/zinc/80/18/12/1144801812.db2.gz CBMNVPFEJPUGBH-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001266192571 1144812795 /nfs/dbraw/zinc/81/27/95/1144812795.db2.gz YIMHRVUCEQPGIP-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316599446 1144829027 /nfs/dbraw/zinc/82/90/27/1144829027.db2.gz CQSIRVNRCYDPFF-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001280095590 1144832005 /nfs/dbraw/zinc/83/20/05/1144832005.db2.gz RDAJRRAMHPYWEB-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001281845168 1144916374 /nfs/dbraw/zinc/91/63/74/1144916374.db2.gz QKERYNOKRUPWLC-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001283077156 1145258241 /nfs/dbraw/zinc/25/82/41/1145258241.db2.gz ANLCUKHLZPYREV-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001284067543 1145783540 /nfs/dbraw/zinc/78/35/40/1145783540.db2.gz LXQYZXZBGOAPSK-AEFFLSMTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001284604536 1145877869 /nfs/dbraw/zinc/87/78/69/1145877869.db2.gz QNRJHMYKMRTOGP-HZPDHXFCSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492154291 1147101703 /nfs/dbraw/zinc/10/17/03/1147101703.db2.gz KJEMGOMTEBANJV-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001492176949 1147119183 /nfs/dbraw/zinc/11/91/83/1147119183.db2.gz BHCGSVSAHXZEDJ-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001317006625 1147578152 /nfs/dbraw/zinc/57/81/52/1147578152.db2.gz QUFAZFSMZLNIDU-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001316978030 1147642133 /nfs/dbraw/zinc/64/21/33/1147642133.db2.gz NMDGLZRGSRMISR-IXDOHACOSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317112834 1147661268 /nfs/dbraw/zinc/66/12/68/1147661268.db2.gz AJUYBOCTTHEDCN-OAGGEKHMSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317113206 1147661271 /nfs/dbraw/zinc/66/12/71/1147661271.db2.gz IANHHHADZPGELL-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367277307 1147673064 /nfs/dbraw/zinc/67/30/64/1147673064.db2.gz OWGBIRBQMIJNRE-HIFRSBDPSA-N 2 0 315.889 2.345 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001317226795 1147679619 /nfs/dbraw/zinc/67/96/19/1147679619.db2.gz OOIAYONSMZCOFJ-DAWZGUTISA-N 2 0 319.493 2.290 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318292420 1147807615 /nfs/dbraw/zinc/80/76/15/1147807615.db2.gz LIHFKXSLCSAMLQ-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001326479278 1148108736 /nfs/dbraw/zinc/10/87/36/1148108736.db2.gz GWGMUCOUMGMMNT-OAHLLOKOSA-N 2 0 315.461 2.481 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001326555091 1148143266 /nfs/dbraw/zinc/14/32/66/1148143266.db2.gz KZFXHVDXUJCNNO-XSLAGTTESA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001326602617 1148159372 /nfs/dbraw/zinc/15/93/72/1148159372.db2.gz DICZPQRGXZXLJM-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000422983198 230305725 /nfs/dbraw/zinc/30/57/25/230305725.db2.gz YWPDFHBLPSSLER-IMJJTQAJSA-N 2 0 316.424 2.254 20 30 DEEDRP CN1CC[NH+]=C1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262689579 529778416 /nfs/dbraw/zinc/77/84/16/529778416.db2.gz ZUNIKGVHJPPTGF-SWLSCSKDSA-N 2 0 324.831 2.363 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)NC1CC1 ZINC000262670280 530039128 /nfs/dbraw/zinc/03/91/28/530039128.db2.gz PDRZXJXBTOOJPM-SWLSCSKDSA-N 2 0 306.479 2.458 20 30 DEEDRP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000194262538 186274491 /nfs/dbraw/zinc/27/44/91/186274491.db2.gz BNWMXQNIPHGBQO-APWZRJJASA-N 2 0 314.477 2.481 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591577686 357737745 /nfs/dbraw/zinc/73/77/45/357737745.db2.gz AFBZZDQYCRSOEY-IBGZPJMESA-N 2 0 312.461 2.254 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000593323760 358054534 /nfs/dbraw/zinc/05/45/34/358054534.db2.gz WMSUNBDRAQJRBA-SFHVURJKSA-N 2 0 312.461 2.254 20 30 DEEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323576 358054694 /nfs/dbraw/zinc/05/46/94/358054694.db2.gz QHIUJTQYVHAEOK-CABCVRRESA-N 2 0 300.450 2.238 20 30 DEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000598723016 359305761 /nfs/dbraw/zinc/30/57/61/359305761.db2.gz CPVCARPCTCFELN-KRWDZBQOSA-N 2 0 316.449 2.188 20 30 DEEDRP C#CCOc1ccccc1C[NH2+]C[C@@H](CC[NH+](C)C)OCC ZINC000267847700 206302086 /nfs/dbraw/zinc/30/20/86/206302086.db2.gz DLUTXKVATFDRAG-QGZVFWFLSA-N 2 0 304.434 2.145 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)CC)CC2)CC1 ZINC000458318313 248261019 /nfs/dbraw/zinc/26/10/19/248261019.db2.gz JFQRJYSDBPDVSM-MRXNPFEDSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001354500960 1151898963 /nfs/dbraw/zinc/89/89/63/1151898963.db2.gz XEQOQFREWZJHIW-MSOLQXFVSA-N 2 0 315.461 2.369 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)C(C)C ZINC000270360944 208434972 /nfs/dbraw/zinc/43/49/72/208434972.db2.gz XOJUVQXANMMIJD-IRXDYDNUSA-N 2 0 307.482 2.191 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000376557614 133300357 /nfs/dbraw/zinc/30/03/57/133300357.db2.gz KJJKRJAPHURTIN-MSOLQXFVSA-N 2 0 309.369 2.140 20 30 DEEDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000320523604 145375076 /nfs/dbraw/zinc/37/50/76/145375076.db2.gz MNLPRYLHLIHOLK-UHFFFAOYSA-N 2 0 314.433 2.160 20 30 DEEDRP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160687460 402357257 /nfs/dbraw/zinc/35/72/57/402357257.db2.gz WTJMKYDJFWXESQ-JTQLQIEISA-N 2 0 316.327 2.406 20 30 DEEDRP CN(C(=[NH2+])NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000187056403 402480218 /nfs/dbraw/zinc/48/02/18/402480218.db2.gz HRMCISZWKIDMPO-QGZVFWFLSA-N 2 0 300.450 2.306 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000171734960 402616948 /nfs/dbraw/zinc/61/69/48/402616948.db2.gz MDSPQAKWJRPKLF-INIZCTEOSA-N 2 0 322.497 2.056 20 30 DEEDRP Cc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000284323607 403263353 /nfs/dbraw/zinc/26/33/53/403263353.db2.gz LXBMNVRWSRFJHN-UHFFFAOYSA-N 2 0 323.444 2.354 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)C(C)C ZINC000291990208 404615242 /nfs/dbraw/zinc/61/52/42/404615242.db2.gz BBONVRPXOUZUNJ-IAGOWNOFSA-N 2 0 307.482 2.333 20 30 DEEDRP C=CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414796928 404738054 /nfs/dbraw/zinc/73/80/54/404738054.db2.gz YDCJEPUHTFUOPJ-KRWDZBQOSA-N 2 0 316.445 2.439 20 30 DEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000375888366 404766688 /nfs/dbraw/zinc/76/66/88/404766688.db2.gz GNZLDPIWTUHWRW-IBGZPJMESA-N 2 0 312.461 2.159 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)C(C)C ZINC000417073596 405027032 /nfs/dbraw/zinc/02/70/32/405027032.db2.gz YFSASWCPQRQBHF-IXDOHACOSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439844177 405294104 /nfs/dbraw/zinc/29/41/04/405294104.db2.gz TZFYNSURQWYMFK-KRWDZBQOSA-N 2 0 305.466 2.160 20 30 DEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421326980 405464423 /nfs/dbraw/zinc/46/44/23/405464423.db2.gz PHHYYTYENUGTFV-HNNXBMFYSA-N 2 0 318.440 2.061 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423400164 405789803 /nfs/dbraw/zinc/78/98/03/405789803.db2.gz WSWWPEWQVQQZAC-UONOGXRCSA-N 2 0 305.388 2.157 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759681 406237838 /nfs/dbraw/zinc/23/78/38/406237838.db2.gz GIOIXYNVUZFCBO-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP [NH2+]=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000195291238 225201184 /nfs/dbraw/zinc/20/11/84/225201184.db2.gz GVZCVCQQEGTIHC-MRXNPFEDSA-N 2 0 309.417 2.330 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000195291622 225201821 /nfs/dbraw/zinc/20/18/21/225201821.db2.gz SJZDZRFBCUHAGD-KRWDZBQOSA-N 2 0 300.450 2.309 20 30 DEEDRP CN(C)C(=[NH+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)N(C)C ZINC000262514601 225276388 /nfs/dbraw/zinc/27/63/88/225276388.db2.gz FTAWSVAXRHIDQB-UHFFFAOYSA-N 2 0 324.513 2.279 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897803 782028355 /nfs/dbraw/zinc/02/83/55/782028355.db2.gz XYISSGGORFDWBO-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422980063 230304270 /nfs/dbraw/zinc/30/42/70/230304270.db2.gz OQZCEKLBEMKNEL-DZGCQCFKSA-N 2 0 304.413 2.383 20 30 DEEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055207 230332191 /nfs/dbraw/zinc/33/21/91/230332191.db2.gz CXDYJBDBHBHQMD-KCNJBTMXSA-N 2 0 302.422 2.359 20 30 DEEDRP C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000665392979 425561910 /nfs/dbraw/zinc/56/19/10/425561910.db2.gz KOMUOEBNVQSAQC-IRXDYDNUSA-N 2 0 324.513 2.256 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C(C)C ZINC000655444350 425567499 /nfs/dbraw/zinc/56/74/99/425567499.db2.gz COUIIBQSWVNYDQ-SCTDSRPQSA-N 2 0 319.493 2.191 20 30 DEEDRP C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877272 425754243 /nfs/dbraw/zinc/75/42/43/425754243.db2.gz HMXDOKYDBFUOPS-YJBOKZPZSA-N 2 0 305.466 2.208 20 30 DEEDRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353678899 279109281 /nfs/dbraw/zinc/10/92/81/279109281.db2.gz PZPGDBJYPUHDSS-GOSISDBHSA-N 2 0 301.434 2.494 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001329759432 1148988262 /nfs/dbraw/zinc/98/82/62/1148988262.db2.gz CAVGQOIEUSWDNC-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000110436183 333583527 /nfs/dbraw/zinc/58/35/27/333583527.db2.gz BAHHYOXPNKBRLG-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC1(C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000582721175 337125035 /nfs/dbraw/zinc/12/50/35/337125035.db2.gz WJFDMUQLUFAFQI-IXDOHACOSA-N 2 0 310.482 2.183 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001378362729 1152304933 /nfs/dbraw/zinc/30/49/33/1152304933.db2.gz HGEUUVPMDPUUQP-ZDUSSCGKSA-N 2 0 301.862 2.098 20 30 DEEDRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000423040662 533853166 /nfs/dbraw/zinc/85/31/66/533853166.db2.gz HTQJDTYVHQUKGQ-PBHICJAKSA-N 2 0 314.433 2.161 20 30 DEEDRP CC(C)(C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264070227 526282562 /nfs/dbraw/zinc/28/25/62/526282562.db2.gz DAIFAZJBZWNBMI-INIZCTEOSA-N 2 0 302.466 2.254 20 30 DEEDRP CC(C)(C)NC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264070229 526282644 /nfs/dbraw/zinc/28/26/44/526282644.db2.gz DAIFAZJBZWNBMI-MRXNPFEDSA-N 2 0 302.466 2.254 20 30 DEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2C[C@@](C)(OC)C2(C)C)=[NH+]C)CC1 ZINC000262452883 526416143 /nfs/dbraw/zinc/41/61/43/526416143.db2.gz WHGDDLIULJJCBY-CRAIPNDOSA-N 2 0 322.497 2.005 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447950094 526435114 /nfs/dbraw/zinc/43/51/14/526435114.db2.gz FKAKHRWWBLMPFL-MRXNPFEDSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH+]ccc1N)C(C)C ZINC000188082698 527649874 /nfs/dbraw/zinc/64/98/74/527649874.db2.gz WOKKIOOOCNVTDN-MRXNPFEDSA-N 2 0 302.422 2.092 20 30 DEEDRP CCNC(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)=[NH+]CC ZINC000264110482 528006560 /nfs/dbraw/zinc/00/65/60/528006560.db2.gz QQKVNXNGYHMHNL-KRWDZBQOSA-N 2 0 302.466 2.126 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2ncccc2c1 ZINC000195293122 529074224 /nfs/dbraw/zinc/07/42/24/529074224.db2.gz DGKPJTKECZSSQZ-MRXNPFEDSA-N 2 0 311.433 2.123 20 30 DEEDRP 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 625352190 /nfs/dbraw/zinc/35/21/90/625352190.db2.gz HCPPSCRZXQHEIA-BRWVUGGUSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]12 ZINC001026368436 625367131 /nfs/dbraw/zinc/36/71/31/625367131.db2.gz PRFREXJHRHVQKL-KZNAEPCWSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310599 625436687 /nfs/dbraw/zinc/43/66/87/625436687.db2.gz UOHGOJIOFDWBJM-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001026533965 625506830 /nfs/dbraw/zinc/50/68/30/625506830.db2.gz OCLGINLRGZYGMJ-JCYILVPMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001026594345 625549827 /nfs/dbraw/zinc/54/98/27/625549827.db2.gz ZYZYOOMMRDHNHD-UHFFFAOYSA-N 2 0 316.449 2.354 20 30 DEEDRP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144884 622588495 /nfs/dbraw/zinc/58/84/95/622588495.db2.gz VVULWUKBIXPGNV-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000969675572 622880869 /nfs/dbraw/zinc/88/08/69/622880869.db2.gz VQOMSDAKDIUAMB-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000970163617 623208591 /nfs/dbraw/zinc/20/85/91/623208591.db2.gz NICWJDIVQVVKBK-AWEZNQCLSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000970452269 623457799 /nfs/dbraw/zinc/45/77/99/623457799.db2.gz AQPLWGBWXKPHEM-IEBWSBKVSA-N 2 0 315.461 2.230 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970930303 623798784 /nfs/dbraw/zinc/79/87/84/623798784.db2.gz YEUUUBUHCZSKMM-OAHLLOKOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666389 623921931 /nfs/dbraw/zinc/92/19/31/623921931.db2.gz TVECMKGIJXJAIF-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 625135762 /nfs/dbraw/zinc/13/57/62/625135762.db2.gz SPQOHEWPBIDSPH-ZBRFXRBCSA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023126227 625163726 /nfs/dbraw/zinc/16/37/26/625163726.db2.gz NSGRZSVPRVWWOB-IYBDPMFKSA-N 2 0 321.852 2.351 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365189 625239622 /nfs/dbraw/zinc/23/96/22/625239622.db2.gz YZQNNRBEYHUMRO-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001026267881 625240570 /nfs/dbraw/zinc/24/05/70/625240570.db2.gz RMMGKYBURBDMEX-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436422 625762257 /nfs/dbraw/zinc/76/22/57/625762257.db2.gz CVUBSWDMPQRPKY-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001000183426 634780796 /nfs/dbraw/zinc/78/07/96/634780796.db2.gz JUIYVMLIPIVGQG-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974581035 633162720 /nfs/dbraw/zinc/16/27/20/633162720.db2.gz VRCLDROZFUWOHR-CVEARBPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC000996381370 633251173 /nfs/dbraw/zinc/25/11/73/633251173.db2.gz VBPZTZAOOPDYFK-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975107578 633422269 /nfs/dbraw/zinc/42/22/69/633422269.db2.gz HGCNJAZYVGWWOJ-HOTGVXAUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975107580 633422444 /nfs/dbraw/zinc/42/24/44/633422444.db2.gz HGCNJAZYVGWWOJ-JKSUJKDBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997083489 633569076 /nfs/dbraw/zinc/56/90/76/633569076.db2.gz KZUOTJVRURHDPE-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997363462 633715757 /nfs/dbraw/zinc/71/57/57/633715757.db2.gz GJMHKYKHSCTMPU-UHFFFAOYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027433191 633774892 /nfs/dbraw/zinc/77/48/92/633774892.db2.gz UOGQPMKOGMXWMH-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027442133 633796175 /nfs/dbraw/zinc/79/61/75/633796175.db2.gz BCWWTRZOXWJJKU-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027460475 633828551 /nfs/dbraw/zinc/82/85/51/633828551.db2.gz LPLWCWHKXFZDJQ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977437999 633981479 /nfs/dbraw/zinc/98/14/79/633981479.db2.gz GGTGWVXBIUXKBI-KRWDZBQOSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000998049772 634124456 /nfs/dbraw/zinc/12/44/56/634124456.db2.gz JBSMOOWRMDPYSA-KRWDZBQOSA-N 2 0 324.428 2.284 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998103637 634142845 /nfs/dbraw/zinc/14/28/45/634142845.db2.gz BPYXTSINGVOVAG-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027930364 634997259 /nfs/dbraw/zinc/99/72/59/634997259.db2.gz OIGNPCJWFOXLNW-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982455 635159996 /nfs/dbraw/zinc/15/99/96/635159996.db2.gz RCHGIIHTDAMOMY-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000374647 635162879 /nfs/dbraw/zinc/16/28/79/635162879.db2.gz WEKWFGJAIYVKNE-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001000381204 635166065 /nfs/dbraw/zinc/16/60/65/635166065.db2.gz YDBSSIWTGYKGBM-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001000839386 635318573 /nfs/dbraw/zinc/31/85/73/635318573.db2.gz DUWVBXNUCZNXEO-ROUUACIJSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000882426 635329286 /nfs/dbraw/zinc/32/92/86/635329286.db2.gz BDUYGGCHQBPSCR-QGZVFWFLSA-N 2 0 305.466 2.041 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981166006 635345888 /nfs/dbraw/zinc/34/58/88/635345888.db2.gz IPQZYVSTVSGFHD-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981194262 635360492 /nfs/dbraw/zinc/36/04/92/635360492.db2.gz JSJDGLRAUMTPID-JKSUJKDBSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001324158 635463470 /nfs/dbraw/zinc/46/34/70/635463470.db2.gz GHAJAZSJSPXDGH-UHFFFAOYSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001001426265 635495969 /nfs/dbraw/zinc/49/59/69/635495969.db2.gz VDEUNZMJDPAQIC-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911801 635574507 /nfs/dbraw/zinc/57/45/07/635574507.db2.gz PRYOKESHZOVFOX-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001002045599 635605165 /nfs/dbraw/zinc/60/51/65/635605165.db2.gz LTVUGTINHSGJCO-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982112800 635874041 /nfs/dbraw/zinc/87/40/41/635874041.db2.gz FCWXRMLEMRGTNS-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982160968 635892996 /nfs/dbraw/zinc/89/29/96/635892996.db2.gz IASPTOLTNXDBQU-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003941337 636090042 /nfs/dbraw/zinc/09/00/42/636090042.db2.gz YUDMMYPFYXTIIQ-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003939804 636091792 /nfs/dbraw/zinc/09/17/92/636091792.db2.gz BKOFJHQWSFFJJT-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541661 636327167 /nfs/dbraw/zinc/32/71/67/636327167.db2.gz CWLHTHYFXVUKMF-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005384274 636727724 /nfs/dbraw/zinc/72/77/24/636727724.db2.gz KZAIPKIKNSIODN-QGZVFWFLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001005416241 636734041 /nfs/dbraw/zinc/73/40/41/636734041.db2.gz RINXFEZHJFTQAJ-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000923413228 637166955 /nfs/dbraw/zinc/16/69/55/637166955.db2.gz FAQPFEJXLBBZOY-SJLPKXTDSA-N 2 0 301.434 2.289 20 30 DEEDRP Cc1cc(C#N)ccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000894870395 637278036 /nfs/dbraw/zinc/27/80/36/637278036.db2.gz FYVAVOPZDOBYEK-IAGOWNOFSA-N 2 0 300.450 2.042 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000985636204 639552896 /nfs/dbraw/zinc/55/28/96/639552896.db2.gz DUYVHSCBIOUBNC-OAHLLOKOSA-N 2 0 315.889 2.248 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802749 639644932 /nfs/dbraw/zinc/64/49/32/639644932.db2.gz WYLPZXQTALWDQM-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000985804367 639645183 /nfs/dbraw/zinc/64/51/83/639645183.db2.gz NGAURALSVQVYEU-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000764458747 640638918 /nfs/dbraw/zinc/63/89/18/640638918.db2.gz AMXHQVRSLDUUPM-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000764464787 640639912 /nfs/dbraw/zinc/63/99/12/640639912.db2.gz RMPFUIUPSXWXNJ-GOSISDBHSA-N 2 0 315.461 2.366 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000764614155 640663674 /nfs/dbraw/zinc/66/36/74/640663674.db2.gz TVJHOLTZFABUEA-SJLPKXTDSA-N 2 0 315.461 2.274 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000900335715 642324397 /nfs/dbraw/zinc/32/43/97/642324397.db2.gz KCLQNHQXUSSJFG-GJZGRUSLSA-N 2 0 309.498 2.367 20 30 DEEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902871364 643166142 /nfs/dbraw/zinc/16/61/42/643166142.db2.gz MYAMRENZORUWFO-OAGGEKHMSA-N 2 0 316.449 2.493 20 30 DEEDRP N#CC1(CCCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC1 ZINC000903746900 643445780 /nfs/dbraw/zinc/44/57/80/643445780.db2.gz NFKIHMJFGQNSQO-MRXNPFEDSA-N 2 0 320.481 2.170 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000908230552 644788912 /nfs/dbraw/zinc/78/89/12/644788912.db2.gz PCCKNMIOFWIHMD-WMZOPIPTSA-N 2 0 315.461 2.274 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992175078 646886315 /nfs/dbraw/zinc/88/63/15/646886315.db2.gz TUGWZURDTPRTEB-APWZRJJASA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC000992710829 647193401 /nfs/dbraw/zinc/19/34/01/647193401.db2.gz JUSKTUSCPKNYQA-IXDOHACOSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000818612247 647488534 /nfs/dbraw/zinc/48/85/34/647488534.db2.gz PVRVJYPEXHZYPT-GOSISDBHSA-N 2 0 315.461 2.141 20 30 DEEDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819252176 647617788 /nfs/dbraw/zinc/61/77/88/647617788.db2.gz OVAZVEZPNXEYCG-FQEVSTJZSA-N 2 0 323.440 2.486 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993501610 647681383 /nfs/dbraw/zinc/68/13/83/647681383.db2.gz LVTWBRMXALJMLR-CRAIPNDOSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993534124 647692142 /nfs/dbraw/zinc/69/21/42/647692142.db2.gz SBHHCELQBKAZLK-WMLDXEAASA-N 2 0 312.417 2.411 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993619007 647707707 /nfs/dbraw/zinc/70/77/07/647707707.db2.gz WCUOAIIERDDLFU-RHSMWYFYSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)[C@H](C)C2)CC1 ZINC000948069524 648327201 /nfs/dbraw/zinc/32/72/01/648327201.db2.gz IGUWHHNCPUSZIU-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026839 648988263 /nfs/dbraw/zinc/98/82/63/648988263.db2.gz OPJFPMUAHBLCSB-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215923 649021664 /nfs/dbraw/zinc/02/16/64/649021664.db2.gz BKHDNDJTZWFYAI-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941236958 649028429 /nfs/dbraw/zinc/02/84/29/649028429.db2.gz DLFAPPQAFPOEQT-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942173941 649174619 /nfs/dbraw/zinc/17/46/19/649174619.db2.gz SNSJYXRTVHIOCO-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558223 649244360 /nfs/dbraw/zinc/24/43/60/649244360.db2.gz TZXUZRRAMKOIJJ-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943287171 649358338 /nfs/dbraw/zinc/35/83/38/649358338.db2.gz IVKKHPVSWVLRRJ-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943879297 649447532 /nfs/dbraw/zinc/44/75/32/649447532.db2.gz VCLMINQLXCBXEI-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945092274 649611402 /nfs/dbraw/zinc/61/14/02/649611402.db2.gz QCZOEXONTYFAGN-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000849000022 651577571 /nfs/dbraw/zinc/57/75/71/651577571.db2.gz HCDKTTNDZJFDHT-HZPDHXFCSA-N 2 0 310.486 2.324 20 30 DEEDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC#N)C2)ccn1 ZINC000856583357 651954505 /nfs/dbraw/zinc/95/45/05/651954505.db2.gz FVMJTDYZUCPFBQ-KRWDZBQOSA-N 2 0 302.422 2.290 20 30 DEEDRP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000305020842 685264826 /nfs/dbraw/zinc/26/48/26/685264826.db2.gz NVXMLTDOFNVJNZ-CQSZACIVSA-N 2 0 304.438 2.400 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C)cc1C ZINC000104176783 684058281 /nfs/dbraw/zinc/05/82/81/684058281.db2.gz LOHFNXRVNNSZIN-QGZVFWFLSA-N 2 0 302.466 2.235 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129743 693856377 /nfs/dbraw/zinc/85/63/77/693856377.db2.gz YOYJDFGCNZLUNY-MJGOQNOKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148523 693863193 /nfs/dbraw/zinc/86/31/93/693863193.db2.gz PDTRJKYTAOWKLH-PKOBYXMFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187473 693875183 /nfs/dbraw/zinc/87/51/83/693875183.db2.gz SDXSVZVWGHZLTP-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054198530 693878701 /nfs/dbraw/zinc/87/87/01/693878701.db2.gz ZEDIIAHDFVRSTN-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245063 693899222 /nfs/dbraw/zinc/89/92/22/693899222.db2.gz NYEDVITWOXXTEH-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000303771959 685232996 /nfs/dbraw/zinc/23/29/96/685232996.db2.gz DCSDKQKGIRMVNK-KRWDZBQOSA-N 2 0 318.465 2.387 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000303789082 685235166 /nfs/dbraw/zinc/23/51/66/685235166.db2.gz VAWGODCHQSVNHB-KRWDZBQOSA-N 2 0 314.477 2.497 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCSc1ccc(C)cc1 ZINC000303789648 685235263 /nfs/dbraw/zinc/23/52/63/685235263.db2.gz VLVVSEMCBHCWAC-HNNXBMFYSA-N 2 0 320.506 2.476 20 30 DEEDRP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000303876187 685236647 /nfs/dbraw/zinc/23/66/47/685236647.db2.gz DTYMIXGTASLANY-UHFFFAOYSA-N 2 0 320.481 2.358 20 30 DEEDRP CCOc1ccccc1CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303990095 685243094 /nfs/dbraw/zinc/24/30/94/685243094.db2.gz YFFXJVPYNWRIEY-MRXNPFEDSA-N 2 0 318.465 2.016 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001054722436 694032965 /nfs/dbraw/zinc/03/29/65/694032965.db2.gz QIDCBXLOYNZGAG-TZMCWYRMSA-N 2 0 307.463 2.046 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662533 687677544 /nfs/dbraw/zinc/67/75/44/687677544.db2.gz KLONDYLSLBMASZ-DLBZAZTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001016681246 687681642 /nfs/dbraw/zinc/68/16/42/687681642.db2.gz JOOBFCFBVOODQK-INIZCTEOSA-N 2 0 317.477 2.019 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016686963 687682428 /nfs/dbraw/zinc/68/24/28/687682428.db2.gz FJSHSBUHYPSAFG-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016707733 687686801 /nfs/dbraw/zinc/68/68/01/687686801.db2.gz AAEYZQIJIXXXPP-MRXNPFEDSA-N 2 0 310.401 2.105 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016828193 687712248 /nfs/dbraw/zinc/71/22/48/687712248.db2.gz DLOTVFPLKGBYDT-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026492398 688528684 /nfs/dbraw/zinc/52/86/84/688528684.db2.gz LAXLHUKFZOGTDN-JCYILVPMSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918367 689020459 /nfs/dbraw/zinc/02/04/59/689020459.db2.gz IJLGAHWPEDHIGU-QGZVFWFLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129358 689068058 /nfs/dbraw/zinc/06/80/58/689068058.db2.gz WRLRXUFQCHKIAV-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145576 689403645 /nfs/dbraw/zinc/40/36/45/689403645.db2.gz IGFHBOBGHLOKIE-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213522 689427752 /nfs/dbraw/zinc/42/77/52/689427752.db2.gz KLSLPDXKLCIWGF-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230369 689433045 /nfs/dbraw/zinc/43/30/45/689433045.db2.gz MXQTVLHFJXJHKG-INIZCTEOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470654 689513750 /nfs/dbraw/zinc/51/37/50/689513750.db2.gz BYKXTXCPIVKIMN-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685503 689583107 /nfs/dbraw/zinc/58/31/07/689583107.db2.gz UQNDVZPQLFAPEP-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033684685 689583387 /nfs/dbraw/zinc/58/33/87/689583387.db2.gz HGAJTNDFMHOIDA-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875463056 689630185 /nfs/dbraw/zinc/63/01/85/689630185.db2.gz PIOZHBNVKNZREO-BRWVUGGUSA-N 2 0 324.513 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033991207 689685601 /nfs/dbraw/zinc/68/56/01/689685601.db2.gz GNEBITKBTLEEAQ-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034211807 689764942 /nfs/dbraw/zinc/76/49/42/689764942.db2.gz OPVJFGCBMRJEDM-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217038 689766956 /nfs/dbraw/zinc/76/69/56/689766956.db2.gz OHBFCMHFQQWKHK-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034241471 689777532 /nfs/dbraw/zinc/77/75/32/689777532.db2.gz XVZGZXVPZINEHI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437527 689850640 /nfs/dbraw/zinc/85/06/40/689850640.db2.gz GXAQCTAUYKXXOG-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474429 689863760 /nfs/dbraw/zinc/86/37/60/689863760.db2.gz KVLFSHNFFBMHSH-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034486565 689869803 /nfs/dbraw/zinc/86/98/03/689869803.db2.gz BGXRHKIQJSPJPC-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000876723848 689915859 /nfs/dbraw/zinc/91/58/59/689915859.db2.gz YJXRVSZMBGPVTK-KGLIPLIRSA-N 2 0 313.804 2.015 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000876733012 689919837 /nfs/dbraw/zinc/91/98/37/689919837.db2.gz MAUCEDBCUMARRT-CYBMUJFWSA-N 2 0 301.862 2.037 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000876735237 689920514 /nfs/dbraw/zinc/92/05/14/689920514.db2.gz BZLIZZYKCAYZQX-KBMXLJTQSA-N 2 0 321.852 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000876873975 689960754 /nfs/dbraw/zinc/96/07/54/689960754.db2.gz WYMGYMVWQQMNCG-HNNXBMFYSA-N 2 0 309.841 2.047 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035194238 690056064 /nfs/dbraw/zinc/05/60/64/690056064.db2.gz XAOSQTUJPSSCTA-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254597 690075177 /nfs/dbraw/zinc/07/51/77/690075177.db2.gz MSQMTHVYFTXOLL-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810695 690182960 /nfs/dbraw/zinc/18/29/60/690182960.db2.gz PUTBKAFRPSTECF-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001036056928 690248548 /nfs/dbraw/zinc/24/85/48/690248548.db2.gz WTNDQCSOKMVEEM-DOMZBBRYSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001039386070 691094997 /nfs/dbraw/zinc/09/49/97/691094997.db2.gz WFKYLKSJQDRJNL-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396974 691242297 /nfs/dbraw/zinc/24/22/97/691242297.db2.gz XLMSIGXEFNGWEQ-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040848603 691292572 /nfs/dbraw/zinc/29/25/72/691292572.db2.gz LYLMNYWGWNIMLL-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041307015 691358551 /nfs/dbraw/zinc/35/85/51/691358551.db2.gz MKLAURNOOMZXIV-YQVWRLOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041679843 691409511 /nfs/dbraw/zinc/40/95/11/691409511.db2.gz OZZKDZZTXKGLFU-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041844627 691444329 /nfs/dbraw/zinc/44/43/29/691444329.db2.gz BIQHNEFQGFVNGE-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844583 691444627 /nfs/dbraw/zinc/44/46/27/691444627.db2.gz LRGRTPVDMPUDSZ-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000883172457 691447791 /nfs/dbraw/zinc/44/77/91/691447791.db2.gz HNZKKNIZYLWYPO-BZSNNMDCSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186612 691532152 /nfs/dbraw/zinc/53/21/52/691532152.db2.gz IPQCRJUECCLWAJ-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001044814770 691891546 /nfs/dbraw/zinc/89/15/46/691891546.db2.gz HLVTVVFZUOSUMP-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045478986 691987151 /nfs/dbraw/zinc/98/71/51/691987151.db2.gz LVDWCEFPEUPKOK-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943709 692058620 /nfs/dbraw/zinc/05/86/20/692058620.db2.gz NCJQUEFWXROTJE-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCN(C(=O)CCC[NH+](CCC)CCC)C1CC[NH+](C)CC1 ZINC000886582556 692117429 /nfs/dbraw/zinc/11/74/29/692117429.db2.gz ZJUWMSDQOAWACM-UHFFFAOYSA-N 2 0 321.509 2.445 20 30 DEEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319948 692152713 /nfs/dbraw/zinc/15/27/13/692152713.db2.gz YXKXWIUANBGSMO-LPHOPBHVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046740544 692279931 /nfs/dbraw/zinc/27/99/31/692279931.db2.gz ALYSZJZODPOMQH-GOSISDBHSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761502 692290543 /nfs/dbraw/zinc/29/05/43/692290543.db2.gz WAESYIKGCUNWLE-IBGZPJMESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047226969 692397884 /nfs/dbraw/zinc/39/78/84/692397884.db2.gz BTMGNZXIJKGVBJ-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001048538233 692642125 /nfs/dbraw/zinc/64/21/25/692642125.db2.gz NCTRRWKUOLXPFE-XMTFNYHQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048913498 692721145 /nfs/dbraw/zinc/72/11/45/692721145.db2.gz FQEWBZYFXXGVRP-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049656037 692955934 /nfs/dbraw/zinc/95/59/34/692955934.db2.gz UFPZATAGAPWOJI-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049717294 692974008 /nfs/dbraw/zinc/97/40/08/692974008.db2.gz HYBYTWRSQRSYPS-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915121 693047327 /nfs/dbraw/zinc/04/73/27/693047327.db2.gz SOYWJBWRQGUYGR-KURKYZTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050125510 693114646 /nfs/dbraw/zinc/11/46/46/693114646.db2.gz ZLCGCECGRDBGPH-XLAORIBOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050521064 693199597 /nfs/dbraw/zinc/19/95/97/693199597.db2.gz UCDLPWCPTFAXOD-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052370016 693517181 /nfs/dbraw/zinc/51/71/81/693517181.db2.gz XVPOWXHVAGSLGT-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384209 693520969 /nfs/dbraw/zinc/52/09/69/693520969.db2.gz AZGVONXWMUOFHE-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393496 693523499 /nfs/dbraw/zinc/52/34/99/693523499.db2.gz MCULXAJHBCNTEP-RBSFLKMASA-N 2 0 313.873 2.050 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446938 693537382 /nfs/dbraw/zinc/53/73/82/693537382.db2.gz UCOXSEMWXQWNAV-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486811 693546218 /nfs/dbraw/zinc/54/62/18/693546218.db2.gz PCVFVBNVJKAUMS-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619878 693581317 /nfs/dbraw/zinc/58/13/17/693581317.db2.gz JXYSKVWMIONBBR-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052717522 693603108 /nfs/dbraw/zinc/60/31/08/693603108.db2.gz WJFNHCOJPNVRDX-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764440 693615049 /nfs/dbraw/zinc/61/50/49/693615049.db2.gz PIBCIUZOUPKMHI-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001402384624 1162339266 /nfs/dbraw/zinc/33/92/66/1162339266.db2.gz UPHUULNUAFHRCB-LSDHHAIUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001357327547 1152289122 /nfs/dbraw/zinc/28/91/22/1152289122.db2.gz XHSRRRAXIRDDMZ-HOTGVXAUSA-N 2 0 307.413 2.228 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001380902337 1152875707 /nfs/dbraw/zinc/87/57/07/1152875707.db2.gz NLPYIQHMAZEINH-UHFFFAOYSA-N 2 0 313.873 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001381994887 1153309314 /nfs/dbraw/zinc/30/93/14/1153309314.db2.gz GHIFXPRYPMPBFL-RBSFLKMASA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001382514679 1153459635 /nfs/dbraw/zinc/45/96/35/1153459635.db2.gz DSFFHCULKLJXEX-CQSZACIVSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001391730420 1156751132 /nfs/dbraw/zinc/75/11/32/1156751132.db2.gz RFYMOQUHLWYEBR-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001376344986 1159349838 /nfs/dbraw/zinc/34/98/38/1159349838.db2.gz MWJCWHIJDHNTNJ-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001405862872 1164298205 /nfs/dbraw/zinc/29/82/05/1164298205.db2.gz JVASGBXUIUJGQN-CYBMUJFWSA-N 2 0 303.878 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001418136470 1167434249 /nfs/dbraw/zinc/43/42/49/1167434249.db2.gz FIOYCCIUZNNQDV-LSDHHAIUSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)CN1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001418654406 1167865846 /nfs/dbraw/zinc/86/58/46/1167865846.db2.gz AZNCZIGGSUOKMD-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001419622291 1168698178 /nfs/dbraw/zinc/69/81/78/1168698178.db2.gz BTMUKUBBBZPLBB-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001420919058 1171347654 /nfs/dbraw/zinc/34/76/54/1171347654.db2.gz BBFPNYBRLILJCT-AWEZNQCLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001421432305 1171793991 /nfs/dbraw/zinc/79/39/91/1171793991.db2.gz NRDPCMSEZMCSIG-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001423017154 1173018419 /nfs/dbraw/zinc/01/84/19/1173018419.db2.gz WOJPSFOYJRZNRO-LSDHHAIUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001440243624 1181400019 /nfs/dbraw/zinc/40/00/19/1181400019.db2.gz ULKYBLSPNKDXDL-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001444373608 1183362552 /nfs/dbraw/zinc/36/25/52/1183362552.db2.gz ICYPXRCEUVCDBB-UKRRQHHQSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001444823105 1183571404 /nfs/dbraw/zinc/57/14/04/1183571404.db2.gz CPBISGAXWPOWAX-KBPBESRZSA-N 2 0 324.856 2.312 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444880886 1183616961 /nfs/dbraw/zinc/61/69/61/1183616961.db2.gz AJBZHYCZAJVTPI-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001330614290 1149212386 /nfs/dbraw/zinc/21/23/86/1149212386.db2.gz SJQHUCAIWNMYMN-XSLAGTTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001406176824 1164493466 /nfs/dbraw/zinc/49/34/66/1164493466.db2.gz FNMSPAAVPRNGCW-GJZGRUSLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106371012 782676418 /nfs/dbraw/zinc/67/64/18/782676418.db2.gz MALMZZAJTRDHBU-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106730929 782896966 /nfs/dbraw/zinc/89/69/66/782896966.db2.gz XGTWWTIQVMWBRH-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036797 790408666 /nfs/dbraw/zinc/40/86/66/790408666.db2.gz KGMBHXCFRXJXFR-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167224251 776780457 /nfs/dbraw/zinc/78/04/57/776780457.db2.gz IBCBWTXPGVHPMB-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104288047 776899416 /nfs/dbraw/zinc/89/94/16/776899416.db2.gz RRSSPWUFJXUMIV-KZNAEPCWSA-N 2 0 321.509 2.225 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385935 776979633 /nfs/dbraw/zinc/97/96/33/776979633.db2.gz ZILUBBOYODMLRV-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104389324 777243579 /nfs/dbraw/zinc/24/35/79/777243579.db2.gz VDNOHYZJVGNDMU-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518494 777651390 /nfs/dbraw/zinc/65/13/90/777651390.db2.gz MCIVQDOJGHGZCM-LPHOPBHVSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397002 777660395 /nfs/dbraw/zinc/66/03/95/777660395.db2.gz BJZYPVPDPTVTGH-ROUUACIJSA-N 2 0 308.466 2.154 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742760 778318236 /nfs/dbraw/zinc/31/82/36/778318236.db2.gz WIWLDVJNUXJHIU-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062472 778319703 /nfs/dbraw/zinc/31/97/03/778319703.db2.gz SNGAQPCPEXHNQO-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211695244 778650111 /nfs/dbraw/zinc/65/01/11/778650111.db2.gz SEFXGSSFMHSQIP-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593751 779370444 /nfs/dbraw/zinc/37/04/44/779370444.db2.gz UVAKMBHTJZHXAI-GVDBMIGSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087621158 779382401 /nfs/dbraw/zinc/38/24/01/779382401.db2.gz JYKRTCZBZZYJOK-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985469916 779853320 /nfs/dbraw/zinc/85/33/20/779853320.db2.gz LAYZJINSPZDSGS-KRWDZBQOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001088342255 779995067 /nfs/dbraw/zinc/99/50/67/779995067.db2.gz FPMSMQJDFCFUSA-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001088367152 780028455 /nfs/dbraw/zinc/02/84/55/780028455.db2.gz CNUYTDSVDBEVIN-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413317 780087888 /nfs/dbraw/zinc/08/78/88/780087888.db2.gz CSCWEOPTIUSKAI-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC001088430372 780115416 /nfs/dbraw/zinc/11/54/16/780115416.db2.gz NSEIAXACTJTIGI-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561860 780764643 /nfs/dbraw/zinc/76/46/43/780764643.db2.gz SVVKQPAAHABSIH-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168326759 780842841 /nfs/dbraw/zinc/84/28/41/780842841.db2.gz HXZVOIUZSXRORJ-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001091029723 790840111 /nfs/dbraw/zinc/84/01/11/790840111.db2.gz UDSGGHJMOVGMJA-CGZBRXJRSA-N 2 0 319.493 2.311 20 30 DEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001171181587 790903390 /nfs/dbraw/zinc/90/33/90/790903390.db2.gz MZMQZHWMWVLNQJ-INIZCTEOSA-N 2 0 314.477 2.105 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948242487 783388569 /nfs/dbraw/zinc/38/85/69/783388569.db2.gz XFPXYAXSYGUVBX-CABCVRRESA-N 2 0 313.873 2.146 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948388365 783449076 /nfs/dbraw/zinc/44/90/76/783449076.db2.gz DRKOYOBEPYVOGL-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948554619 783501112 /nfs/dbraw/zinc/50/11/12/783501112.db2.gz XOSBQGRBEFJQDO-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001085245252 783601133 /nfs/dbraw/zinc/60/11/33/783601133.db2.gz QIPCZQPWSASPIO-RBSFLKMASA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001085284568 783619469 /nfs/dbraw/zinc/61/94/69/783619469.db2.gz BTSJKTGFQIAUHS-KZNAEPCWSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968866164 784627117 /nfs/dbraw/zinc/62/71/17/784627117.db2.gz CHDSONCBNDKJTF-FGTMMUONSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749484 785524123 /nfs/dbraw/zinc/52/41/23/785524123.db2.gz BWHYJXSVRKQOIQ-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001091377717 791129473 /nfs/dbraw/zinc/12/94/73/791129473.db2.gz VZCXLPSWTKDAAF-UHFFFAOYSA-N 2 0 301.434 2.032 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403444 785854337 /nfs/dbraw/zinc/85/43/37/785854337.db2.gz HIEOTIJYUXGJLE-PMPSAXMXSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673769 785984023 /nfs/dbraw/zinc/98/40/23/785984023.db2.gz QKIKVTRDHWIQJB-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878019 786091815 /nfs/dbraw/zinc/09/18/15/786091815.db2.gz DGPPOODBSGTLFV-SQNIBIBYSA-N 2 0 319.493 2.406 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001113348625 786539715 /nfs/dbraw/zinc/53/97/15/786539715.db2.gz VVGONRSSULEMHR-DLBZAZTESA-N 2 0 309.498 2.299 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001113419432 786582941 /nfs/dbraw/zinc/58/29/41/786582941.db2.gz RFIWFJIQFXZKAF-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CCN1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441748 786594598 /nfs/dbraw/zinc/59/45/98/786594598.db2.gz QXHINMCENIECKG-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014698866 786713016 /nfs/dbraw/zinc/71/30/16/786713016.db2.gz BLAWVBGPOPOTSR-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429496 787214233 /nfs/dbraw/zinc/21/42/33/787214233.db2.gz HEYJEWUGARHPBL-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132264876 787996372 /nfs/dbraw/zinc/99/63/72/787996372.db2.gz DDKKJEZAQWBPFV-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549749 788127009 /nfs/dbraw/zinc/12/70/09/788127009.db2.gz ZCJPWSCMCJPNBY-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158679624 788152770 /nfs/dbraw/zinc/15/27/70/788152770.db2.gz FNXZHYRWHVCNHJ-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP 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 788197840 /nfs/dbraw/zinc/19/78/40/788197840.db2.gz BSIIJFHJTBVMIV-SIRPWMCASA-N 2 0 305.466 2.014 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132956139 788242626 /nfs/dbraw/zinc/24/26/26/788242626.db2.gz YUHKQIAVVZGLHR-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133073547 788268530 /nfs/dbraw/zinc/26/85/30/788268530.db2.gz VTMOZCJHBFPHOY-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121961 788287853 /nfs/dbraw/zinc/28/78/53/788287853.db2.gz MUTDIHIDDNYOBF-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170871746 789565043 /nfs/dbraw/zinc/56/50/43/789565043.db2.gz SGHHHAAWQKMALC-IXDOHACOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961236 789580476 /nfs/dbraw/zinc/58/04/76/789580476.db2.gz NOVPUPRCIYIIRV-KGLIPLIRSA-N 2 0 303.878 2.344 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507706 789747554 /nfs/dbraw/zinc/74/75/54/789747554.db2.gz AKFDOEFHWZMOEI-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071645883 789838370 /nfs/dbraw/zinc/83/83/70/789838370.db2.gz OSPAPJGLXPQSSE-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071650891 789842188 /nfs/dbraw/zinc/84/21/88/789842188.db2.gz DWJIUIMCUARLJF-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583520 791316003 /nfs/dbraw/zinc/31/60/03/791316003.db2.gz MHMDOBPDARCLCJ-CVEARBPZSA-N 2 0 315.461 2.258 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171327778 791721022 /nfs/dbraw/zinc/72/10/22/791721022.db2.gz DPVRHFRPTMBTRT-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001148386320 791744268 /nfs/dbraw/zinc/74/42/68/791744268.db2.gz UZAPGSRMEUUIPL-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148605946 791775328 /nfs/dbraw/zinc/77/53/28/791775328.db2.gz YLNCMVPPMQRLGB-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071419 791928474 /nfs/dbraw/zinc/92/84/74/791928474.db2.gz VHNCXWWKYYKQGM-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098834723 791958246 /nfs/dbraw/zinc/95/82/46/791958246.db2.gz BIYGKEHAORHBGL-JZXOWHBKSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463337 792003583 /nfs/dbraw/zinc/00/35/83/792003583.db2.gz KKNZUGYUZJGODM-ZJPYXAASSA-N 2 0 319.493 2.404 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099233633 792145327 /nfs/dbraw/zinc/14/53/27/792145327.db2.gz AHBPISLTLRRVNA-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099553883 792239975 /nfs/dbraw/zinc/23/99/75/792239975.db2.gz WLSLEGYJGVLOKE-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP 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 792240509 /nfs/dbraw/zinc/24/05/09/792240509.db2.gz BPOBKWUYRODDBM-MHORFTMASA-N 2 0 319.493 2.072 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100418643 792638586 /nfs/dbraw/zinc/63/85/86/792638586.db2.gz DGWFPIAFKDCXHZ-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100669399 792780255 /nfs/dbraw/zinc/78/02/55/792780255.db2.gz WXCNPTZSJKZBRR-NRXISQOPSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101312819 793110823 /nfs/dbraw/zinc/11/08/23/793110823.db2.gz MQOQJGAPIBJIRC-AEFFLSMTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569927 793238027 /nfs/dbraw/zinc/23/80/27/793238027.db2.gz TWXKRDFDRCYQSS-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001094937115 793471045 /nfs/dbraw/zinc/47/10/45/793471045.db2.gz FMQPIUGUXCQNNR-ZOBUZTSGSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515426 793637612 /nfs/dbraw/zinc/63/76/12/793637612.db2.gz SCOCEYURCHDRHH-IXDOHACOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524994 793639537 /nfs/dbraw/zinc/63/95/37/793639537.db2.gz HFJIEVGSFBJDJN-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CSCC)CC1 ZINC001173315256 793688319 /nfs/dbraw/zinc/68/83/19/793688319.db2.gz OJLVGQVLLYUJOV-KRWDZBQOSA-N 2 0 311.539 2.420 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001103662665 794181475 /nfs/dbraw/zinc/18/14/75/794181475.db2.gz JIIZBWISTJJULS-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757225 794213880 /nfs/dbraw/zinc/21/38/80/794213880.db2.gz RPXLBPSNAIMHJS-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581480 794248411 /nfs/dbraw/zinc/24/84/11/794248411.db2.gz NAYHJQGVUMDIGJ-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874854 794311025 /nfs/dbraw/zinc/31/10/25/794311025.db2.gz WSFHJABVWUGUCU-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869893 794507429 /nfs/dbraw/zinc/50/74/29/794507429.db2.gz OZVKGJKHSBMTTC-SCTDSRPQSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111909913 794524151 /nfs/dbraw/zinc/52/41/51/794524151.db2.gz NSWKMZMEYMSWSK-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001112360815 794612533 /nfs/dbraw/zinc/61/25/33/794612533.db2.gz MJPJMOSEARQZGU-BMFAXAFESA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115534927 794812163 /nfs/dbraw/zinc/81/21/63/794812163.db2.gz BSQKJPLMFLEINN-KRWDZBQOSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001115688257 794879857 /nfs/dbraw/zinc/87/98/57/794879857.db2.gz TZXCWYVLVDRSOO-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178734216 794987019 /nfs/dbraw/zinc/98/70/19/794987019.db2.gz YXATUOAEAOYRKZ-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178728755 794990993 /nfs/dbraw/zinc/99/09/93/794990993.db2.gz DTWOQMMXBACMQN-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CCCn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nn1 ZINC001120072554 795402339 /nfs/dbraw/zinc/40/23/39/795402339.db2.gz WVDIGANULVNDBQ-ZMSDIMECSA-N 2 0 303.454 2.016 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001121133864 795593104 /nfs/dbraw/zinc/59/31/04/795593104.db2.gz JEYGIJSHDOZESR-HGWOHTHGSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121245468 795606925 /nfs/dbraw/zinc/60/69/25/795606925.db2.gz GCQVBGUFFYVAPD-RFSHTEQGSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121653831 795668057 /nfs/dbraw/zinc/66/80/57/795668057.db2.gz MCHCNZYOCPVPFQ-UHFFFAOYSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623242 795713712 /nfs/dbraw/zinc/71/37/12/795713712.db2.gz IAAJEOREKDBMGN-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001122231048 795738484 /nfs/dbraw/zinc/73/84/84/795738484.db2.gz BWLTYGGVVJNVQQ-XLWKGDHDSA-N 2 0 319.493 2.452 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628777 796095218 /nfs/dbraw/zinc/09/52/18/796095218.db2.gz QGYSSEGERDQRTQ-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185029372 796174445 /nfs/dbraw/zinc/17/44/45/796174445.db2.gz HICZWAFWAFSAGR-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168804 796201239 /nfs/dbraw/zinc/20/12/39/796201239.db2.gz JEVXOCVXOJQMAS-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185546398 796288903 /nfs/dbraw/zinc/28/89/03/796288903.db2.gz BLWAMPYJTQQCLO-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203629836 796332210 /nfs/dbraw/zinc/33/22/10/796332210.db2.gz CQRXHVKROBGEOS-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034972 796481942 /nfs/dbraw/zinc/48/19/42/796481942.db2.gz REENOCWKXQBWAH-MSOLQXFVSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190363585 796989264 /nfs/dbraw/zinc/98/92/64/796989264.db2.gz RWEISPNOQVTMJX-IXDOHACOSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190655175 797048751 /nfs/dbraw/zinc/04/87/51/797048751.db2.gz OJZCMHKCHSNTFV-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203287963 797061948 /nfs/dbraw/zinc/06/19/48/797061948.db2.gz LUXBEIBCODGKBD-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144174 797153431 /nfs/dbraw/zinc/15/34/31/797153431.db2.gz JROXPYNDJBVBHH-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152245492 797162248 /nfs/dbraw/zinc/16/22/48/797162248.db2.gz HYXOWLPCOORTFR-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191552136 797224956 /nfs/dbraw/zinc/22/49/56/797224956.db2.gz SWUCMCKOUIXTOW-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683443 797249344 /nfs/dbraw/zinc/24/93/44/797249344.db2.gz GBQJQAQKLIWBBM-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192385159 797378095 /nfs/dbraw/zinc/37/80/95/797378095.db2.gz FDGCLEUGTPCLSD-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192399245 797384349 /nfs/dbraw/zinc/38/43/49/797384349.db2.gz XEQKNFXEVIQCJR-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819010 797403312 /nfs/dbraw/zinc/40/33/12/797403312.db2.gz KAWJOHZDSOATLP-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671003 797428672 /nfs/dbraw/zinc/42/86/72/797428672.db2.gz DKKGWACKFKGWBQ-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917216 797471877 /nfs/dbraw/zinc/47/18/77/797471877.db2.gz LBBKTFNPDSDIBW-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275818 797697353 /nfs/dbraw/zinc/69/73/53/797697353.db2.gz YFGGXVCSGIGYES-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701370 798262251 /nfs/dbraw/zinc/26/22/51/798262251.db2.gz CAYNPDMFSWGWIM-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)c1ccn2c(C)cnc2c1 ZINC001158062264 798335177 /nfs/dbraw/zinc/33/51/77/798335177.db2.gz SMOHGSIQXLQWAN-UHFFFAOYSA-N 2 0 300.406 2.318 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227139 798363349 /nfs/dbraw/zinc/36/33/49/798363349.db2.gz BBVGMDFIXKFYLJ-GOSISDBHSA-N 2 0 324.428 2.284 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872381 798482847 /nfs/dbraw/zinc/48/28/47/798482847.db2.gz LCSSOLJPTDZZRM-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200578163 798652976 /nfs/dbraw/zinc/65/29/76/798652976.db2.gz NEKPXMFPAFFBAD-DOTOQJQBSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200840254 798685493 /nfs/dbraw/zinc/68/54/93/798685493.db2.gz JLUAOYRIBMKWEP-UHFFFAOYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001201378107 798748556 /nfs/dbraw/zinc/74/85/56/798748556.db2.gz CYNOOXFSHVSZRP-UHFFFAOYSA-N 2 0 316.449 2.065 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664962 798954281 /nfs/dbraw/zinc/95/42/81/798954281.db2.gz GEPPPBPWHVAEGM-OAGGEKHMSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163249026 799287719 /nfs/dbraw/zinc/28/77/19/799287719.db2.gz USIUJCUAOHXKHZ-UHFFFAOYSA-N 2 0 317.477 2.466 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164556274 799621752 /nfs/dbraw/zinc/62/17/52/799621752.db2.gz UXWXYZUSSUAVMQ-QGZVFWFLSA-N 2 0 319.493 2.171 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165334037 799707308 /nfs/dbraw/zinc/70/73/08/799707308.db2.gz UWQXBNICFHVGIO-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165609841 799750863 /nfs/dbraw/zinc/75/08/63/799750863.db2.gz LHEHZHJHYBJBRQ-AWEZNQCLSA-N 2 0 315.889 2.201 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165735465 799766841 /nfs/dbraw/zinc/76/68/41/799766841.db2.gz AHHDGZDVMANXDR-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203426394 800046011 /nfs/dbraw/zinc/04/60/11/800046011.db2.gz JPYIKCKIVLORMH-CVEARBPZSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540087 800074123 /nfs/dbraw/zinc/07/41/23/800074123.db2.gz TUYBDEHCPMIUGM-SJORKVTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205519080 800367669 /nfs/dbraw/zinc/36/76/69/800367669.db2.gz UTBYMMSMCSGBGB-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP N#Cc1ccc2c(CN3CCC(F)(F)[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001205781310 800418735 /nfs/dbraw/zinc/41/87/35/800418735.db2.gz VWDDORRSUCLQRZ-ZDUSSCGKSA-N 2 0 304.344 2.455 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396028 800743809 /nfs/dbraw/zinc/74/38/09/800743809.db2.gz AQADEDKQIILFQN-RTBURBONSA-N 2 0 322.493 2.402 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261994 800943682 /nfs/dbraw/zinc/94/36/82/800943682.db2.gz WMSOUUYMROJIFQ-HZPDHXFCSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208432235 800982082 /nfs/dbraw/zinc/98/20/82/800982082.db2.gz SCGSRKRSSSEALK-OWCLPIDISA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208609945 801030056 /nfs/dbraw/zinc/03/00/56/801030056.db2.gz XPQBCBMRJFTWQJ-BZSNNMDCSA-N 2 0 308.466 2.154 20 30 DEEDRP C=CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001209202971 801150595 /nfs/dbraw/zinc/15/05/95/801150595.db2.gz JPODFSREIKZYFI-IKGGRYGDSA-N 2 0 303.454 2.029 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230035959 801352364 /nfs/dbraw/zinc/35/23/64/801352364.db2.gz ZCKOVZVCHXHZQE-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230619131 801438895 /nfs/dbraw/zinc/43/88/95/801438895.db2.gz VLEPGIOMFCYMKE-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240291 801534847 /nfs/dbraw/zinc/53/48/47/801534847.db2.gz IKSZZPRLTIAEBV-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261841 801538972 /nfs/dbraw/zinc/53/89/72/801538972.db2.gz DULSPLYNIDTZLR-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP N#Cc1c2ccccc2sc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218649092 802221093 /nfs/dbraw/zinc/22/10/93/802221093.db2.gz QIVDJAFAPCTBRH-CQSZACIVSA-N 2 0 314.414 2.038 20 30 DEEDRP N#Cc1ccc(-c2ccccc2NC(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001219270472 802303986 /nfs/dbraw/zinc/30/39/86/802303986.db2.gz KKEFRTSCGXATJB-MRXNPFEDSA-N 2 0 308.385 2.230 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929479 802823298 /nfs/dbraw/zinc/82/32/98/802823298.db2.gz XSQJGGQBGCGEDQ-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224289931 802855594 /nfs/dbraw/zinc/85/55/94/802855594.db2.gz XDCJDCQNXIRHJH-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226553702 803123575 /nfs/dbraw/zinc/12/35/75/803123575.db2.gz FRCZFRWAQUFKSI-ARFHVFGLSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001330915975 1149332927 /nfs/dbraw/zinc/33/29/27/1149332927.db2.gz LTCANWVPTQENTM-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330931774 1149337772 /nfs/dbraw/zinc/33/77/72/1149337772.db2.gz IUDGNKOPVPGUKO-CQSZACIVSA-N 2 0 315.889 2.345 20 30 DEEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331529539 1149510060 /nfs/dbraw/zinc/51/00/60/1149510060.db2.gz KVEQPIJSIKJOAR-SJLPKXTDSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001368534984 1148483320 /nfs/dbraw/zinc/48/33/20/1148483320.db2.gz LEODZNXFBDMGMU-GASCZTMLSA-N 2 0 313.873 2.099 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001328766722 1148833351 /nfs/dbraw/zinc/83/33/51/1148833351.db2.gz TVMMBHGGAAEYRZ-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001366305435 1147200850 /nfs/dbraw/zinc/20/08/50/1147200850.db2.gz HNRXXRDBOKSACD-AWEZNQCLSA-N 2 0 315.889 2.345 20 30 DEEDRP COc1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)ccc1C#N ZINC001461486191 1058666167 /nfs/dbraw/zinc/66/61/67/1058666167.db2.gz GEBNQDYVSABFCP-UHFFFAOYSA-N 2 0 319.368 2.437 20 30 DEEDRP C#CC[NH+]1CCC(C)(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001500465462 1058809462 /nfs/dbraw/zinc/80/94/62/1058809462.db2.gz CJENJKISACLTJU-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001502406726 1060116426 /nfs/dbraw/zinc/11/64/26/1060116426.db2.gz QZWJRKAVAYKAOT-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001502406876 1060117688 /nfs/dbraw/zinc/11/76/88/1060117688.db2.gz VOAITMARXMPEOZ-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502968399 1060409470 /nfs/dbraw/zinc/40/94/70/1060409470.db2.gz MAOMQEUBBAVXQO-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP CC[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001474617239 1060907347 /nfs/dbraw/zinc/90/73/47/1060907347.db2.gz ZXOVOBCRGSIOKV-GOSISDBHSA-N 2 0 301.434 2.255 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001479302040 1061376738 /nfs/dbraw/zinc/37/67/38/1061376738.db2.gz GWBIWXAXSMWGLG-YYIAUSFCSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479486866 1061473823 /nfs/dbraw/zinc/47/38/23/1061473823.db2.gz LZVASKBAVLOSIM-YESZJQIVSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479519469 1061488426 /nfs/dbraw/zinc/48/84/26/1061488426.db2.gz LPWYCBWUGWORRD-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480088267 1062306936 /nfs/dbraw/zinc/30/69/36/1062306936.db2.gz WPFICPDWBLWQLH-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480089604 1062313169 /nfs/dbraw/zinc/31/31/69/1062313169.db2.gz TUDVTWKPTZNMBB-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001480349918 1062696433 /nfs/dbraw/zinc/69/64/33/1062696433.db2.gz MVXCXRIRGOTCGC-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001507031533 1062697932 /nfs/dbraw/zinc/69/79/32/1062697932.db2.gz SWCBFNBRYLOKCN-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480660047 1063152741 /nfs/dbraw/zinc/15/27/41/1063152741.db2.gz WAPAFAZMWMDWJC-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480833877 1063426960 /nfs/dbraw/zinc/42/69/60/1063426960.db2.gz ZFXLMIHFLWAQFS-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494018181 1064084485 /nfs/dbraw/zinc/08/44/85/1064084485.db2.gz FRNROTGAPCEGHP-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567414218 1064188730 /nfs/dbraw/zinc/18/87/30/1064188730.db2.gz IOZFGFBGTCRVCV-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567702923 1064362219 /nfs/dbraw/zinc/36/22/19/1064362219.db2.gz NMHITMXJWPSTJG-MRXNPFEDSA-N 2 0 324.428 2.108 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001567849294 1064457234 /nfs/dbraw/zinc/45/72/34/1064457234.db2.gz WCHHXGJMSQXRRE-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001568131954 1064663009 /nfs/dbraw/zinc/66/30/09/1064663009.db2.gz CPEQHMNEMHASIW-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001568141047 1064666824 /nfs/dbraw/zinc/66/68/24/1064666824.db2.gz RPTVEMKJDJZGLE-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568274388 1064746280 /nfs/dbraw/zinc/74/62/80/1064746280.db2.gz UYJUPEMYWOGXHJ-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001495277175 1064800781 /nfs/dbraw/zinc/80/07/81/1064800781.db2.gz NYBIXHWUXIUOAU-GOSISDBHSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001495283118 1064807451 /nfs/dbraw/zinc/80/74/51/1064807451.db2.gz WBYCPIPUNPHHSG-QFBILLFUSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001568452693 1064881687 /nfs/dbraw/zinc/88/16/87/1064881687.db2.gz IWLNBVGMGWYKOD-MSOLQXFVSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001495698012 1065059986 /nfs/dbraw/zinc/05/99/86/1065059986.db2.gz XQWLWAOJGLAEQS-UKRRQHHQSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568928063 1065196586 /nfs/dbraw/zinc/19/65/86/1065196586.db2.gz HAXHNEKEQKJBSF-YVACAVLKSA-N 2 0 313.873 2.264 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001495980458 1065204532 /nfs/dbraw/zinc/20/45/32/1065204532.db2.gz INDXSZBJCINYMK-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569376285 1065471663 /nfs/dbraw/zinc/47/16/63/1065471663.db2.gz IJXVDFXEVKDKBY-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001569466798 1065524569 /nfs/dbraw/zinc/52/45/69/1065524569.db2.gz FWLLUIMIFLFAGY-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001569507862 1065554539 /nfs/dbraw/zinc/55/45/39/1065554539.db2.gz HENZKESFWUSWRL-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001569523411 1065567612 /nfs/dbraw/zinc/56/76/12/1065567612.db2.gz SWOHWIHWGOVPBD-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CCCC1 ZINC001569614448 1065624307 /nfs/dbraw/zinc/62/43/07/1065624307.db2.gz VBKLXADWZKBTRX-KRWDZBQOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCCn2ccnc2)C1 ZINC001569726146 1065692392 /nfs/dbraw/zinc/69/23/92/1065692392.db2.gz MAYGZFFFGPTFDJ-GOSISDBHSA-N 2 0 318.465 2.458 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001569914382 1065817307 /nfs/dbraw/zinc/81/73/07/1065817307.db2.gz DVULTBZZBNHNNL-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570015943 1065883160 /nfs/dbraw/zinc/88/31/60/1065883160.db2.gz SOQLPZLNANUZMV-LSDHHAIUSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300003 1148518039 /nfs/dbraw/zinc/51/80/39/1148518039.db2.gz RZSLQBXHDWPWDW-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001497621554 1066194149 /nfs/dbraw/zinc/19/41/49/1066194149.db2.gz QFVOYHYCYXNMFI-SNAWJCMRSA-N 2 0 312.417 2.485 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001498872334 1066932695 /nfs/dbraw/zinc/93/26/95/1066932695.db2.gz GCDDTZGLVBVINE-MSOLQXFVSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267045153 1078524331 /nfs/dbraw/zinc/52/43/31/1078524331.db2.gz NNBOKRXIMQNDRE-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP N#Cc1ccc(CN2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066594 1067488089 /nfs/dbraw/zinc/48/80/89/1067488089.db2.gz OJNNJDAWXYNOGZ-DOTOQJQBSA-N 2 0 314.389 2.417 20 30 DEEDRP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001570687866 1068067678 /nfs/dbraw/zinc/06/76/78/1068067678.db2.gz LKFBXGDZRNWSQL-UHFFFAOYSA-N 2 0 306.454 2.338 20 30 DEEDRP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001570825552 1068130383 /nfs/dbraw/zinc/13/03/83/1068130383.db2.gz UVHLIFKPLYRWTC-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001267201903 1078661334 /nfs/dbraw/zinc/66/13/34/1078661334.db2.gz UNGHZAXBZQTNDH-AEFFLSMTSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001571068391 1068178274 /nfs/dbraw/zinc/17/82/74/1068178274.db2.gz MRVHVDHQTDXHCM-KDURUIRLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001571513491 1068371624 /nfs/dbraw/zinc/37/16/24/1068371624.db2.gz SNOKRALEGRDRBR-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001571558690 1068420099 /nfs/dbraw/zinc/42/00/99/1068420099.db2.gz OYOUMSFWTOFLNK-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001329243593 1148877338 /nfs/dbraw/zinc/87/73/38/1148877338.db2.gz NAXGMCZQRBZWCR-JCYILVPMSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483668185 1078766852 /nfs/dbraw/zinc/76/68/52/1078766852.db2.gz SPCPRUYRWIJWIV-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001573307029 1068983351 /nfs/dbraw/zinc/98/33/51/1068983351.db2.gz GGAURSLECOKYGM-UHFFFAOYSA-N 2 0 313.445 2.162 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCC(C[NH2+]CC)CC2)cc1 ZINC001574757449 1069256897 /nfs/dbraw/zinc/25/68/97/1069256897.db2.gz PQJHNPSWBSALAM-UHFFFAOYSA-N 2 0 313.445 2.318 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267547585 1078978339 /nfs/dbraw/zinc/97/83/39/1078978339.db2.gz PMSNWBJJSOORSI-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483743968 1078980434 /nfs/dbraw/zinc/98/04/34/1078980434.db2.gz JTRXRWQQOUTUPS-CVEARBPZSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267565742 1078999936 /nfs/dbraw/zinc/99/99/36/1078999936.db2.gz UAOZVFKHRAPXTR-INIZCTEOSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267590022 1079100461 /nfs/dbraw/zinc/10/04/61/1079100461.db2.gz ORVAXOUNLKSIFZ-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267595311 1079112219 /nfs/dbraw/zinc/11/22/19/1079112219.db2.gz HISXPJVLVUWCMV-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001649448954 1079124982 /nfs/dbraw/zinc/12/49/82/1079124982.db2.gz HFIYURRLBOZCRW-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001649460287 1079129701 /nfs/dbraw/zinc/12/97/01/1079129701.db2.gz FLSPGKLVJFYQKM-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267621958 1079289273 /nfs/dbraw/zinc/28/92/73/1079289273.db2.gz DDNJQWPDCZYNTH-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001484113202 1079305513 /nfs/dbraw/zinc/30/55/13/1079305513.db2.gz DRMYHFYMSIGGMX-RHSMWYFYSA-N 2 0 304.438 2.135 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001566767798 1075001210 /nfs/dbraw/zinc/00/12/10/1075001210.db2.gz UEAWLIJDBXPZCK-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CCC[N@H+](CC)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001566566667 1075284349 /nfs/dbraw/zinc/28/43/49/1075284349.db2.gz INJFYZWTQCNYPH-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001566674518 1075313528 /nfs/dbraw/zinc/31/35/28/1075313528.db2.gz SZVGTAMXRXZALJ-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001566940359 1075394463 /nfs/dbraw/zinc/39/44/63/1075394463.db2.gz FWEWKBYXFSETNU-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001566972838 1075404480 /nfs/dbraw/zinc/40/44/80/1075404480.db2.gz NHUXMSYWIUWUMM-SFFUCWETSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001567016210 1075416843 /nfs/dbraw/zinc/41/68/43/1075416843.db2.gz FFGOSPJEJSOQAD-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567167422 1075450748 /nfs/dbraw/zinc/45/07/48/1075450748.db2.gz OKNNHXDUBMAFCQ-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567203230 1075463066 /nfs/dbraw/zinc/46/30/66/1075463066.db2.gz PVNILZCFNVRIPV-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267896997 1079583065 /nfs/dbraw/zinc/58/30/65/1079583065.db2.gz HLAFTBYOZAHPOH-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001484414823 1079599775 /nfs/dbraw/zinc/59/97/75/1079599775.db2.gz DCNXJURNAVFHGV-HDICACEKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001267965865 1079644915 /nfs/dbraw/zinc/64/49/15/1079644915.db2.gz DLENIBVAWBJWOY-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001484638185 1079704894 /nfs/dbraw/zinc/70/48/94/1079704894.db2.gz HGWFINHBANTTJZ-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481453056 1079880388 /nfs/dbraw/zinc/88/03/88/1079880388.db2.gz QNGUVMFOYPOMKL-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C#CCC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001485098134 1079972191 /nfs/dbraw/zinc/97/21/91/1079972191.db2.gz WASGDJGAMZAPKI-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP 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 1080040048 /nfs/dbraw/zinc/04/00/48/1080040048.db2.gz FVNSMNBMIZZDFQ-WMLDXEAASA-N 2 0 313.461 2.212 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCCC)CC1 ZINC001485230198 1080078075 /nfs/dbraw/zinc/07/80/75/1080078075.db2.gz QWROFEXKTJNBFX-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001656763940 1080121620 /nfs/dbraw/zinc/12/16/20/1080121620.db2.gz VDTUIJMPSQCYOU-KSZLIROESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268155194 1080128130 /nfs/dbraw/zinc/12/81/30/1080128130.db2.gz GYLNUYYSZBDDRP-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001268155969 1080129857 /nfs/dbraw/zinc/12/98/57/1080129857.db2.gz ZDWJLLRHKFAJGT-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001657036493 1080147439 /nfs/dbraw/zinc/14/74/39/1080147439.db2.gz XJDVSFVBXVMTIE-ZACQAIPSSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001657101721 1080156553 /nfs/dbraw/zinc/15/65/53/1080156553.db2.gz GMESRFBAFVUERZ-CVEARBPZSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001658149133 1080199520 /nfs/dbraw/zinc/19/95/20/1080199520.db2.gz VGYOICCZRHBVCJ-UMQBVGHOSA-N 2 0 308.466 2.343 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001485455330 1080216982 /nfs/dbraw/zinc/21/69/82/1080216982.db2.gz LICYBUMZUJYSHN-UHFFFAOYSA-N 2 0 321.509 2.396 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001485454879 1080217629 /nfs/dbraw/zinc/21/76/29/1080217629.db2.gz OXRKHLFQEVEUFD-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001268269277 1080249290 /nfs/dbraw/zinc/24/92/90/1080249290.db2.gz LUYUBYRKDKHONN-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001485706726 1080373139 /nfs/dbraw/zinc/37/31/39/1080373139.db2.gz NQQZFYWPFNBBCA-SAABIXHNSA-N 2 0 315.461 2.422 20 30 DEEDRP N#Cc1cccnc1NCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001660951431 1080418060 /nfs/dbraw/zinc/41/80/60/1080418060.db2.gz IJZTZDNUGWKENY-UHFFFAOYSA-N 2 0 322.416 2.019 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001482016793 1080689934 /nfs/dbraw/zinc/68/99/34/1080689934.db2.gz HHNANPFXFFLMID-LUKYLMHMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268598165 1080878524 /nfs/dbraw/zinc/87/85/24/1080878524.db2.gz WREIGCYHHQEBHW-LLYBFZRZSA-N 2 0 313.873 2.265 20 30 DEEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001664457433 1080912535 /nfs/dbraw/zinc/91/25/35/1080912535.db2.gz OGVQSLAJGPZEIU-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001665088965 1080989637 /nfs/dbraw/zinc/98/96/37/1080989637.db2.gz YOGGTAQVRYYJGC-ROUUACIJSA-N 2 0 315.461 2.446 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001665951139 1081101604 /nfs/dbraw/zinc/10/16/04/1081101604.db2.gz DLZNEAKFBBYFIJ-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001666037473 1081113886 /nfs/dbraw/zinc/11/38/86/1081113886.db2.gz KXLQZCUQWGVHJM-MOPGFXCFSA-N 2 0 319.493 2.313 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001666389141 1081149928 /nfs/dbraw/zinc/14/99/28/1081149928.db2.gz CRYRAIVEKHMQSP-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001666800002 1081181783 /nfs/dbraw/zinc/18/17/83/1081181783.db2.gz BPUDBDWLVFQJEO-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001667143880 1081216077 /nfs/dbraw/zinc/21/60/77/1081216077.db2.gz DKPRKVVCSIAJNW-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001269360907 1081227988 /nfs/dbraw/zinc/22/79/88/1081227988.db2.gz MCHDUGZLHZTJIK-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001667695474 1081275319 /nfs/dbraw/zinc/27/53/19/1081275319.db2.gz XMPPZHRWFRRHHI-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001667695468 1081275861 /nfs/dbraw/zinc/27/58/61/1081275861.db2.gz XMPPZHRWFRRHHI-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CCC=C)C(C)C)CC1 ZINC001284559074 1081299191 /nfs/dbraw/zinc/29/91/91/1081299191.db2.gz UHWGSBDSSZNOPX-UHFFFAOYSA-N 2 0 319.493 2.077 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)CCCC[NH+](C)C)CCCC[C@H]1C ZINC001269678091 1081330768 /nfs/dbraw/zinc/33/07/68/1081330768.db2.gz YHZQOYNDNZMLLE-AEFFLSMTSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001671862724 1081543517 /nfs/dbraw/zinc/54/35/17/1081543517.db2.gz GVANCEQKVUXGLL-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001270798972 1081714964 /nfs/dbraw/zinc/71/49/64/1081714964.db2.gz ZZVJRZZWAFGEIA-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001673218280 1081746619 /nfs/dbraw/zinc/74/66/19/1081746619.db2.gz JGMWEIQEMASUTJ-JKSUJKDBSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001673238640 1081749063 /nfs/dbraw/zinc/74/90/63/1081749063.db2.gz WXMRPRCJCSNELJ-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095864714 1081777705 /nfs/dbraw/zinc/77/77/05/1081777705.db2.gz YWMWPFPHLPIIIT-PMPSAXMXSA-N 2 0 305.466 2.158 20 30 DEEDRP C#CCC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001674611790 1081894220 /nfs/dbraw/zinc/89/42/20/1081894220.db2.gz JGUSAAOSWYLINX-ABHNRTSZSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266252450 1081917773 /nfs/dbraw/zinc/91/77/73/1081917773.db2.gz ULKCQDFPENBVRR-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001271339351 1082014954 /nfs/dbraw/zinc/01/49/54/1082014954.db2.gz BTKGIPUDCIRKTB-KRWDZBQOSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271656143 1082101839 /nfs/dbraw/zinc/10/18/39/1082101839.db2.gz PXNSYBZXZMQQQH-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266541117 1082136315 /nfs/dbraw/zinc/13/63/15/1082136315.db2.gz XPLQRFVPTXKDRY-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266573233 1082167389 /nfs/dbraw/zinc/16/73/89/1082167389.db2.gz MXFPKLJYSHKBIG-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001670640936 1082202045 /nfs/dbraw/zinc/20/20/45/1082202045.db2.gz KXUQPCDBRCHPEG-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001670829038 1082376368 /nfs/dbraw/zinc/37/63/68/1082376368.db2.gz DGMYHYPPYJLIAO-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266841894 1082383714 /nfs/dbraw/zinc/38/37/14/1082383714.db2.gz DQZKDGVKLOTILV-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001266884058 1082428052 /nfs/dbraw/zinc/42/80/52/1082428052.db2.gz KOHTUJJTALWJHQ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001671679002 1082442661 /nfs/dbraw/zinc/44/26/61/1082442661.db2.gz QZXOCRILGLXRJQ-GOSISDBHSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482925226 1082564217 /nfs/dbraw/zinc/56/42/17/1082564217.db2.gz YZQLXWLRYCNDOY-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483011542 1082623840 /nfs/dbraw/zinc/62/38/40/1082623840.db2.gz QJARARRVBDNMRN-OZSKJFCKSA-N 2 0 319.493 2.479 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276996049 1083725148 /nfs/dbraw/zinc/72/51/48/1083725148.db2.gz SZSTUNZIBUSCQL-BQFCYCMXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001491068820 1084046602 /nfs/dbraw/zinc/04/66/02/1084046602.db2.gz BWQFBQVEEPOMQQ-NXOAAHMSSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181954 1085110102 /nfs/dbraw/zinc/11/01/02/1085110102.db2.gz WBEZPJAPZYUICM-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963946868 1085127127 /nfs/dbraw/zinc/12/71/27/1085127127.db2.gz KEWVQLLDEHWXOB-APUKJBRXSA-N 2 0 319.493 2.452 20 30 DEEDRP CC#CC[N@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001486377574 1085251211 /nfs/dbraw/zinc/25/12/11/1085251211.db2.gz GMXGIJGVHHEOFM-UHFFFAOYSA-N 2 0 321.509 2.299 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000964605215 1085293549 /nfs/dbraw/zinc/29/35/49/1085293549.db2.gz FIMSBOATKDIRBI-UHFFFAOYSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)c(F)c1 ZINC001486524100 1085408336 /nfs/dbraw/zinc/40/83/36/1085408336.db2.gz PJHNVVNOVLFUMF-KRWDZBQOSA-N 2 0 321.440 2.304 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961443898 1085735553 /nfs/dbraw/zinc/73/55/53/1085735553.db2.gz XZZXYNABBAHYJB-QZTJIDSGSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC001273029973 1086037861 /nfs/dbraw/zinc/03/78/61/1086037861.db2.gz HSWIEFRVWAECKP-SFHVURJKSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001671059294 1086345945 /nfs/dbraw/zinc/34/59/45/1086345945.db2.gz JFVFFCSTLPQYMU-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698343 1088335998 /nfs/dbraw/zinc/33/59/98/1088335998.db2.gz XNEHXNMZZZHSBC-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079701212 1088337638 /nfs/dbraw/zinc/33/76/38/1088337638.db2.gz ZJNIIJGVVGMDNY-JFIYKMOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398556 1090288376 /nfs/dbraw/zinc/28/83/76/1090288376.db2.gz FONVLUWASSAVDG-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701159 1090401326 /nfs/dbraw/zinc/40/13/26/1090401326.db2.gz QYOLHRFYWXNRAD-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001274398658 1091224714 /nfs/dbraw/zinc/22/47/14/1091224714.db2.gz UATFCBIJEXURNN-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001273419532 1091324345 /nfs/dbraw/zinc/32/43/45/1091324345.db2.gz WOGVISATFWDONA-CVEARBPZSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001275251748 1091637019 /nfs/dbraw/zinc/63/70/19/1091637019.db2.gz WSHDQSYZZXLQME-UHFFFAOYSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001273476626 1091870205 /nfs/dbraw/zinc/87/02/05/1091870205.db2.gz SZVQBUFETHXASF-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CCC[N@@H+](CCC[NH+](C)C)CC2)C1=O ZINC001273711334 1092007002 /nfs/dbraw/zinc/00/70/02/1092007002.db2.gz AYJPVTNXUMKAIY-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001275912239 1092296201 /nfs/dbraw/zinc/29/62/01/1092296201.db2.gz KHKAYZASCKXCMS-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001489057528 1092897046 /nfs/dbraw/zinc/89/70/46/1092897046.db2.gz SGGYMUHINYWGHO-HIFRSBDPSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001489205195 1092972384 /nfs/dbraw/zinc/97/23/84/1092972384.db2.gz DYFKAVOEYYRECZ-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001489232985 1092997695 /nfs/dbraw/zinc/99/76/95/1092997695.db2.gz VFDIAWWIKGHAQX-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001490207985 1093225954 /nfs/dbraw/zinc/22/59/54/1093225954.db2.gz OZQXWLRBMHJAFY-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CCCCCCCNC(=S)NCCC[NH2+]CCCC[NH3+] ZINC001239397303 1139035216 /nfs/dbraw/zinc/03/52/16/1139035216.db2.gz YZHGSFKJYKQHFN-UHFFFAOYSA-N 2 0 302.532 2.140 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001278308533 1139257450 /nfs/dbraw/zinc/25/74/50/1139257450.db2.gz OPBWROHMESYYEV-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001278308534 1139257519 /nfs/dbraw/zinc/25/75/19/1139257519.db2.gz OPBWROHMESYYEV-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001491799931 1140314738 /nfs/dbraw/zinc/31/47/38/1140314738.db2.gz BBIKLSMGBJTWGT-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001280889344 1140533586 /nfs/dbraw/zinc/53/35/86/1140533586.db2.gz NWGUNBCDOFBIHJ-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001319385992 1140561190 /nfs/dbraw/zinc/56/11/90/1140561190.db2.gz RPCULLFSDIWZSG-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246023333 1140848507 /nfs/dbraw/zinc/84/85/07/1140848507.db2.gz PLLVKXQGHIBWLA-DLBZAZTESA-N 2 0 300.487 2.274 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246023344 1140848520 /nfs/dbraw/zinc/84/85/20/1140848520.db2.gz PLLVKXQGHIBWLA-IAGOWNOFSA-N 2 0 300.487 2.274 20 30 DEEDRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN[C@H](C#N)C1)CC21CC[NH2+]CC1 ZINC001246126668 1140863923 /nfs/dbraw/zinc/86/39/23/1140863923.db2.gz IPEKLUPETQBVPC-TXPKVOOTSA-N 2 0 324.472 2.295 20 30 DEEDRP Cc1cccc2c1C1(C[C@@H]2[NH2+][C@@H]2CCN[C@H](C#N)C2)CC[NH2+]CC1 ZINC001246251473 1140877913 /nfs/dbraw/zinc/87/79/13/1140877913.db2.gz WZRHHVNUDWTDQB-RYRKJORJSA-N 2 0 324.472 2.295 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001278465707 1141058282 /nfs/dbraw/zinc/05/82/82/1141058282.db2.gz BQVHDXAJBDOLRW-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001323162504 1141819931 /nfs/dbraw/zinc/81/99/31/1141819931.db2.gz QUQOMOCKKJOIPR-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001323860714 1141894109 /nfs/dbraw/zinc/89/41/09/1141894109.db2.gz UNNDZHWOWJOUIK-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323874643 1141895415 /nfs/dbraw/zinc/89/54/15/1141895415.db2.gz VXKBBWLBKHYILF-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP CCCCCCCNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001249636563 1141984776 /nfs/dbraw/zinc/98/47/76/1141984776.db2.gz WGNLHQAEWWLYDI-UHFFFAOYSA-N 2 0 316.559 2.257 20 30 DEEDRP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](C(C)C)CC1 ZINC001324427164 1142075674 /nfs/dbraw/zinc/07/56/74/1142075674.db2.gz SZNOQCAXGADRGQ-UHFFFAOYSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278564616 1142177927 /nfs/dbraw/zinc/17/79/27/1142177927.db2.gz JLSRAWSFEKUJMQ-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278571156 1142211332 /nfs/dbraw/zinc/21/13/32/1142211332.db2.gz KLACNSVPOWOFEU-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1(C)C ZINC001278646072 1142650091 /nfs/dbraw/zinc/65/00/91/1142650091.db2.gz XUPZETORLOTRTD-GJZGRUSLSA-N 2 0 313.461 2.069 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)CCCCC)CC1 ZINC001253542990 1142879422 /nfs/dbraw/zinc/87/94/22/1142879422.db2.gz VYNZXBZHCBURJE-LJQANCHMSA-N 2 0 323.525 2.219 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001342382230 1143814380 /nfs/dbraw/zinc/81/43/80/1143814380.db2.gz ZXRSUMVXITULFE-HZPDHXFCSA-N 2 0 307.413 2.228 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001279047892 1143954160 /nfs/dbraw/zinc/95/41/60/1143954160.db2.gz YVDRTYNFEVUTOQ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001263184142 1144359989 /nfs/dbraw/zinc/35/99/89/1144359989.db2.gz LWAXRRAYJNYIOO-UONOGXRCSA-N 2 0 319.440 2.425 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001263918974 1144423666 /nfs/dbraw/zinc/42/36/66/1144423666.db2.gz AYAOJWPKOZONEU-JKSUJKDBSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265395000 1144701758 /nfs/dbraw/zinc/70/17/58/1144701758.db2.gz MWBCSRXENUWOKA-SJORKVTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265396725 1144701984 /nfs/dbraw/zinc/70/19/84/1144701984.db2.gz KILFANDSCWBSTP-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265446753 1144704665 /nfs/dbraw/zinc/70/46/65/1144704665.db2.gz PSOFTDORFCVUNI-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001265610790 1144717606 /nfs/dbraw/zinc/71/76/06/1144717606.db2.gz CAAWFMOBIUGTTN-HOTGVXAUSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265619623 1144718753 /nfs/dbraw/zinc/71/87/53/1144718753.db2.gz QEOGHBAIBGYXAP-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266112906 1144806662 /nfs/dbraw/zinc/80/66/62/1144806662.db2.gz CKSAZDYPKGBDJL-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001279312100 1144820566 /nfs/dbraw/zinc/82/05/66/1144820566.db2.gz SPEKQZGBMAUHID-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001280074078 1144831707 /nfs/dbraw/zinc/83/17/07/1144831707.db2.gz SRBANGXRBIDIOU-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001280356297 1144836519 /nfs/dbraw/zinc/83/65/19/1144836519.db2.gz CDCYFPIETONWPN-CRAIPNDOSA-N 2 0 315.461 2.481 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001280761698 1144853855 /nfs/dbraw/zinc/85/38/55/1144853855.db2.gz ZNQUQILJJVCSDU-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281890723 1144918318 /nfs/dbraw/zinc/91/83/18/1144918318.db2.gz ZODXPJMUPSEECC-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001282558125 1145086391 /nfs/dbraw/zinc/08/63/91/1145086391.db2.gz MQQNTBQTGCGXHC-ROUUACIJSA-N 2 0 321.509 2.347 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001364739110 1145527272 /nfs/dbraw/zinc/52/72/72/1145527272.db2.gz XNEPUFYUTMGPIR-WMZOPIPTSA-N 2 0 304.482 2.171 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001284067550 1145783574 /nfs/dbraw/zinc/78/35/74/1145783574.db2.gz LXQYZXZBGOAPSK-WMZOPIPTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001284072079 1145785858 /nfs/dbraw/zinc/78/58/58/1145785858.db2.gz PFKCPTNLVZXVBB-SJLPKXTDSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001284150271 1145807929 /nfs/dbraw/zinc/80/79/29/1145807929.db2.gz ALUMHRQEDLKICV-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001366875982 1147603230 /nfs/dbraw/zinc/60/32/30/1147603230.db2.gz ALSCROQSILHIGS-OAHLLOKOSA-N 2 0 315.889 2.250 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316983643 1147643425 /nfs/dbraw/zinc/64/34/25/1147643425.db2.gz TZAXUKAGQDCKBU-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001317032927 1147650443 /nfs/dbraw/zinc/65/04/43/1147650443.db2.gz DDEXEOPQJFQFRH-IRXDYDNUSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317122784 1147662425 /nfs/dbraw/zinc/66/24/25/1147662425.db2.gz VYYYVPOGULSVLU-HDICACEKSA-N 2 0 319.493 2.311 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001317186996 1147673231 /nfs/dbraw/zinc/67/32/31/1147673231.db2.gz CHWMFAYSCVWPFT-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317299285 1147687375 /nfs/dbraw/zinc/68/73/75/1147687375.db2.gz ANQFUYOEVYJEIC-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001367390040 1147687978 /nfs/dbraw/zinc/68/79/78/1147687978.db2.gz YSWFILVNUQJGLV-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317323265 1147690699 /nfs/dbraw/zinc/69/06/99/1147690699.db2.gz UPIOPKUSFHFFHD-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CCc1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001317367407 1147697089 /nfs/dbraw/zinc/69/70/89/1147697089.db2.gz YBXOKZFHZBSMPQ-UHFFFAOYSA-N 2 0 315.461 2.105 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317422628 1147705184 /nfs/dbraw/zinc/70/51/84/1147705184.db2.gz HTQISNKBYIOQIM-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317427095 1147705892 /nfs/dbraw/zinc/70/58/92/1147705892.db2.gz LZDKKEWOUADLCO-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001324943162 1147860525 /nfs/dbraw/zinc/86/05/25/1147860525.db2.gz DVVWDKBDMIAENX-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001325778958 1147998680 /nfs/dbraw/zinc/99/86/80/1147998680.db2.gz NFQNLEZUJJOQPN-HDICACEKSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001326351024 1148083413 /nfs/dbraw/zinc/08/34/13/1148083413.db2.gz ULEKTNIDXQTACA-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001326458143 1148106830 /nfs/dbraw/zinc/10/68/30/1148106830.db2.gz LHBKCOIMPFVENP-GOSISDBHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])C(C)C ZINC001327196580 1148346042 /nfs/dbraw/zinc/34/60/42/1148346042.db2.gz RSNLKTHCMUSISQ-GVDBMIGSSA-N 2 0 307.482 2.319 20 30 DEEDRP CNC(NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)=[NH+]C ZINC000264077280 529836722 /nfs/dbraw/zinc/83/67/22/529836722.db2.gz GFICCNBEFMJKSK-HUUCEWRRSA-N 2 0 302.466 2.459 20 30 DEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181691621 199339092 /nfs/dbraw/zinc/33/90/92/199339092.db2.gz HKRKXCALVBIAHY-IRXDYDNUSA-N 2 0 314.477 2.482 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000181722350 356092918 /nfs/dbraw/zinc/09/29/18/356092918.db2.gz CDLWYUKNRKGBNF-MRXNPFEDSA-N 2 0 322.497 2.201 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000594581092 358296782 /nfs/dbraw/zinc/29/67/82/358296782.db2.gz NMHSWKPVCSIZEF-HKUYNNGSSA-N 2 0 312.461 2.382 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000595892631 358573408 /nfs/dbraw/zinc/57/34/08/358573408.db2.gz NUSVHXLANHGCRA-OALUTQOASA-N 2 0 313.445 2.319 20 30 DEEDRP N#Cc1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000595896438 358574958 /nfs/dbraw/zinc/57/49/58/358574958.db2.gz OOGGOAAWJVAZBB-IPMKNSEASA-N 2 0 313.445 2.319 20 30 DEEDRP CCCn1ccnc1CCC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598611641 359260334 /nfs/dbraw/zinc/26/03/34/359260334.db2.gz VHPLWIZSLRFOGX-HNNXBMFYSA-N 2 0 306.454 2.458 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000602563711 360434959 /nfs/dbraw/zinc/43/49/59/360434959.db2.gz HEZXAIQWXPDESJ-HNNXBMFYSA-N 2 0 322.497 2.143 20 30 DEEDRP Cc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccc1C#N ZINC000443967944 238133002 /nfs/dbraw/zinc/13/30/02/238133002.db2.gz DUTBZOKQLNTGRQ-UHFFFAOYSA-N 2 0 314.477 2.230 20 30 DEEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000271817301 209240687 /nfs/dbraw/zinc/24/06/87/209240687.db2.gz BWDZUXBZDQCWRE-CRAIPNDOSA-N 2 0 301.434 2.446 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000458327403 248263671 /nfs/dbraw/zinc/26/36/71/248263671.db2.gz WEFFZXZUMRYLEZ-INIZCTEOSA-N 2 0 322.497 2.058 20 30 DEEDRP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000268953753 207120194 /nfs/dbraw/zinc/12/01/94/207120194.db2.gz FPENTORKPFHHDB-MOPGFXCFSA-N 2 0 313.445 2.416 20 30 DEEDRP CCOc1cccc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000135114377 401927204 /nfs/dbraw/zinc/92/72/04/401927204.db2.gz JXQBUNSAYRJHHL-MRXNPFEDSA-N 2 0 318.465 2.016 20 30 DEEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000271817307 402884553 /nfs/dbraw/zinc/88/45/53/402884553.db2.gz BWDZUXBZDQCWRE-YJBOKZPZSA-N 2 0 301.434 2.446 20 30 DEEDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000330665936 403301070 /nfs/dbraw/zinc/30/10/70/403301070.db2.gz HTAOSLNZEUPARK-UHFFFAOYSA-N 2 0 320.462 2.222 20 30 DEEDRP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1C#N ZINC000278017658 403280013 /nfs/dbraw/zinc/28/00/13/403280013.db2.gz WGEDIHVFXVZWHJ-OAHLLOKOSA-N 2 0 317.433 2.157 20 30 DEEDRP C[N@H+]1CC=C(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286337904 403503011 /nfs/dbraw/zinc/50/30/11/403503011.db2.gz YSWXYMAAERVCKS-UHFFFAOYSA-N 2 0 310.445 2.379 20 30 DEEDRP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1O ZINC000346855809 403605034 /nfs/dbraw/zinc/60/50/34/403605034.db2.gz VUOTYCDIRNSDBP-HRCADAONSA-N 2 0 302.418 2.298 20 30 DEEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000348300748 404057658 /nfs/dbraw/zinc/05/76/58/404057658.db2.gz CKAOIURXYSTLGF-SJORKVTESA-N 2 0 322.497 2.239 20 30 DEEDRP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332450 404060933 /nfs/dbraw/zinc/06/09/33/404060933.db2.gz UTTQMZAMWUOWMD-OTWHNJEPSA-N 2 0 300.446 2.377 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](C)CCCC)CC1 ZINC000357955398 404749080 /nfs/dbraw/zinc/74/90/80/404749080.db2.gz IQGGYXSHYKVSPO-OAHLLOKOSA-N 2 0 310.486 2.056 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)C(C)C ZINC000417072228 405027282 /nfs/dbraw/zinc/02/72/82/405027282.db2.gz XAWQUCJVPLLTNU-DLBZAZTESA-N 2 0 322.497 2.078 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635530716 406576160 /nfs/dbraw/zinc/57/61/60/406576160.db2.gz JYHATAFADLIBIO-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)OC[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000491771951 406711144 /nfs/dbraw/zinc/71/11/44/406711144.db2.gz RWVLYMWWPUMFPD-KRWDZBQOSA-N 2 0 306.450 2.138 20 30 DEEDRP N#Cc1csc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134128188 196363361 /nfs/dbraw/zinc/36/33/61/196363361.db2.gz ODRPHJVRMARDQC-UHFFFAOYSA-N 2 0 305.447 2.164 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)N1 ZINC000262660344 225280663 /nfs/dbraw/zinc/28/06/63/225280663.db2.gz MUQZTGIBWYWWQC-HUUCEWRRSA-N 2 0 300.450 2.498 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899216 782033284 /nfs/dbraw/zinc/03/32/84/782033284.db2.gz SGFZTCAIUKLNTN-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001328265900 1148758449 /nfs/dbraw/zinc/75/84/49/1148758449.db2.gz FGELPTQUAYEKCY-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC000648782402 424905210 /nfs/dbraw/zinc/90/52/10/424905210.db2.gz GHJGYPCYSUXJTJ-ZACQAIPSSA-N 2 0 307.482 2.141 20 30 DEEDRP C=CC[C@@]1(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662788979 425735342 /nfs/dbraw/zinc/73/53/42/425735342.db2.gz XXYLGZYTFSTUFV-SFHVURJKSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662678360 425710957 /nfs/dbraw/zinc/71/09/57/425710957.db2.gz FSTPHSHWFPHXIW-AEFFLSMTSA-N 2 0 319.424 2.243 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)C(C)C ZINC000662681612 425711673 /nfs/dbraw/zinc/71/16/73/425711673.db2.gz KEZXHABDHQPMPH-CVEARBPZSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CCC[NH2+]1 ZINC000662702094 425717391 /nfs/dbraw/zinc/71/73/91/425717391.db2.gz WLKHZHDBEMBGTQ-AEFFLSMTSA-N 2 0 307.482 2.456 20 30 DEEDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1(C)C ZINC000353631829 277106542 /nfs/dbraw/zinc/10/65/42/277106542.db2.gz JHOIIIQFDKODHO-GOSISDBHSA-N 2 0 312.461 2.161 20 30 DEEDRP CN(CC[N@H+](C)Cc1ccc(CC#N)cc1)C1CC[NH+](C)CC1 ZINC000343767686 335191507 /nfs/dbraw/zinc/19/15/07/335191507.db2.gz ONAQNHFTUREXDP-UHFFFAOYSA-N 2 0 314.477 2.210 20 30 DEEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001329935533 1149018345 /nfs/dbraw/zinc/01/83/45/1149018345.db2.gz DLSXYOUOGAZHEU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329938826 1149020226 /nfs/dbraw/zinc/02/02/26/1149020226.db2.gz RQLQIEXXWHLSPB-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000264095858 533988012 /nfs/dbraw/zinc/98/80/12/533988012.db2.gz MMARUFWMFKHMNU-CYBMUJFWSA-N 2 0 320.437 2.305 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)N1 ZINC000262660348 533990228 /nfs/dbraw/zinc/99/02/28/533990228.db2.gz MUQZTGIBWYWWQC-LSDHHAIUSA-N 2 0 300.450 2.498 20 30 DEEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCS[C@@H](C(C)C)C1 ZINC000261703270 526360870 /nfs/dbraw/zinc/36/08/70/526360870.db2.gz GLCHWBKXJRQUHV-CYBMUJFWSA-N 2 0 300.516 2.023 20 30 DEEDRP C[NH+]=C(NCc1sccc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261996001 526393706 /nfs/dbraw/zinc/39/37/06/526393706.db2.gz SLAHEKBOPRNRLR-UONOGXRCSA-N 2 0 308.495 2.450 20 30 DEEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246008733 527016071 /nfs/dbraw/zinc/01/60/71/527016071.db2.gz KSBGAYURDBFNOE-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC(F)(F)CC1 ZINC000261732799 529100982 /nfs/dbraw/zinc/10/09/82/529100982.db2.gz OKXRSLVDLPAFBS-ZDUSSCGKSA-N 2 0 302.413 2.201 20 30 DEEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264281946 529341072 /nfs/dbraw/zinc/34/10/72/529341072.db2.gz NYRBDHJJKHXMIE-GFCCVEGCSA-N 2 0 308.426 2.161 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327982421 1148691829 /nfs/dbraw/zinc/69/18/29/1148691829.db2.gz QIYWLTVCRQRJSN-MRXNPFEDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472434 625466195 /nfs/dbraw/zinc/46/61/95/625466195.db2.gz QEFYINSZPDLCLL-ZBFHGGJFSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001026515810 625493580 /nfs/dbraw/zinc/49/35/80/625493580.db2.gz KLQHPXUJABGKPS-NRXISQOPSA-N 2 0 313.873 2.240 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CC(C)C)CC2)CC1 ZINC001026609911 625561942 /nfs/dbraw/zinc/56/19/42/625561942.db2.gz YNVBRJHLHDOHIX-UHFFFAOYSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144885 622588175 /nfs/dbraw/zinc/58/81/75/622588175.db2.gz VVULWUKBIXPGNV-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020675727 623057120 /nfs/dbraw/zinc/05/71/20/623057120.db2.gz COWGILAESLZFBS-KKUMJFAQSA-N 2 0 313.873 2.239 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021090608 623336357 /nfs/dbraw/zinc/33/63/57/623336357.db2.gz ILNVABAFSZCANE-QAQDUYKDSA-N 2 0 301.434 2.175 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326400 623403020 /nfs/dbraw/zinc/40/30/20/623403020.db2.gz RMMKRMOEEBJKKU-QAPCUYQASA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000970681368 623614610 /nfs/dbraw/zinc/61/46/10/623614610.db2.gz LMCXNUQOJKMKRJ-OAHLLOKOSA-N 2 0 324.428 2.499 20 30 DEEDRP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021670230 623929175 /nfs/dbraw/zinc/92/91/75/623929175.db2.gz JMVLBASDNAWVAZ-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001022852374 625027850 /nfs/dbraw/zinc/02/78/50/625027850.db2.gz GOQQFCGANOIJEQ-CALCHBBNSA-N 2 0 301.434 2.175 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024813327 625066207 /nfs/dbraw/zinc/06/62/07/625066207.db2.gz ZGCGQEPYDFCBEJ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551482 625232498 /nfs/dbraw/zinc/23/24/98/625232498.db2.gz LBMNIVIYTRLIHV-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007498363 625274294 /nfs/dbraw/zinc/27/42/94/625274294.db2.gz KGDFKOJMBNBKSF-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695388 634450696 /nfs/dbraw/zinc/45/06/96/634450696.db2.gz SQMUPECFMRKVGN-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024522063 625836040 /nfs/dbraw/zinc/83/60/40/625836040.db2.gz YTALVLSKTNRUDE-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024523377 625837924 /nfs/dbraw/zinc/83/79/24/625837924.db2.gz PVLDNGCUQHQYJP-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999509283 634614308 /nfs/dbraw/zinc/61/43/08/634614308.db2.gz PYDHMZGMRRJWBQ-UHFFFAOYSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000999627368 634648842 /nfs/dbraw/zinc/64/88/42/634648842.db2.gz AHEYTCJQYNYLAO-UHFFFAOYSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000999671680 634656089 /nfs/dbraw/zinc/65/60/89/634656089.db2.gz LADWWRPEQQGXJA-UHFFFAOYSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995983833 633153906 /nfs/dbraw/zinc/15/39/06/633153906.db2.gz SERATEORDRIZJI-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC1(C)C ZINC000996523179 633277309 /nfs/dbraw/zinc/27/73/09/633277309.db2.gz ATQCOMQHMOXSPB-INIZCTEOSA-N 2 0 316.449 2.164 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997180760 633669305 /nfs/dbraw/zinc/66/93/05/633669305.db2.gz MSSZDKIFZPLPDV-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997595436 633891398 /nfs/dbraw/zinc/89/13/98/633891398.db2.gz CPLHIGVNJJPPLX-ZMSDIMECSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997636566 633905887 /nfs/dbraw/zinc/90/58/87/633905887.db2.gz QUXZDGSNQFBSCJ-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138378 634858287 /nfs/dbraw/zinc/85/82/87/634858287.db2.gz DKBLICRWCOZKOW-GVDBMIGSSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886013 634873784 /nfs/dbraw/zinc/87/37/84/634873784.db2.gz MQKDOWWEURKZMB-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980186462 634883946 /nfs/dbraw/zinc/88/39/46/634883946.db2.gz DGWRRGQPQIVYEG-BZSNNMDCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001000334870 635145405 /nfs/dbraw/zinc/14/54/05/635145405.db2.gz IBAZFMHCXMIYJN-KGLIPLIRSA-N 2 0 310.829 2.167 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000681982 635275940 /nfs/dbraw/zinc/27/59/40/635275940.db2.gz GJEYNIODTFUSEZ-ROUUACIJSA-N 2 0 317.477 2.185 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000766495 635289970 /nfs/dbraw/zinc/28/99/70/635289970.db2.gz GSXZQZABABWXMB-GOSISDBHSA-N 2 0 319.493 2.289 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000981180622 635347220 /nfs/dbraw/zinc/34/72/20/635347220.db2.gz DUNDERTVMGJXSD-HUUCEWRRSA-N 2 0 312.417 2.459 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001000993028 635384807 /nfs/dbraw/zinc/38/48/07/635384807.db2.gz PLEZKUJMNPPFCJ-MRXNPFEDSA-N 2 0 301.434 2.128 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000921815170 635391089 /nfs/dbraw/zinc/39/10/89/635391089.db2.gz GZECJXYKFSYWBI-UHFFFAOYSA-N 2 0 314.477 2.291 20 30 DEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001228870 635431364 /nfs/dbraw/zinc/43/13/64/635431364.db2.gz FPYVMIHRWYSJIL-QGZVFWFLSA-N 2 0 305.466 2.184 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957325703 635503674 /nfs/dbraw/zinc/50/36/74/635503674.db2.gz UJPGJBAONBQIIR-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000981801048 635655926 /nfs/dbraw/zinc/65/59/26/635655926.db2.gz NWWXHLVYIKBHJZ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981822468 635673721 /nfs/dbraw/zinc/67/37/21/635673721.db2.gz LDNAWDVILSZDAI-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981864956 635699356 /nfs/dbraw/zinc/69/93/56/635699356.db2.gz IUQANWOSKIUVOS-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181644 635783046 /nfs/dbraw/zinc/78/30/46/635783046.db2.gz XGEXCWUPSQUHCQ-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981991411 635795695 /nfs/dbraw/zinc/79/56/95/635795695.db2.gz HAGCYEGUXMWZSN-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000982011390 635809537 /nfs/dbraw/zinc/80/95/37/635809537.db2.gz AGKKTNPUTMRPGR-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC000982042266 635841495 /nfs/dbraw/zinc/84/14/95/635841495.db2.gz JYEFQCOREUWVAM-INIZCTEOSA-N 2 0 316.449 2.335 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982152089 635891699 /nfs/dbraw/zinc/89/16/99/635891699.db2.gz RKJREYSKJFPTNI-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003966344 636101518 /nfs/dbraw/zinc/10/15/18/636101518.db2.gz AKJCXEQUXULBIH-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001004069295 636136965 /nfs/dbraw/zinc/13/69/65/636136965.db2.gz XBAZTYXTIHIGIJ-SFHVURJKSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004203146 636222096 /nfs/dbraw/zinc/22/20/96/636222096.db2.gz HWXDHVOWZHAECQ-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP 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 636262643 /nfs/dbraw/zinc/26/26/43/636262643.db2.gz RCLYXEZGWAUVJH-YTQUADARSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554078 636263569 /nfs/dbraw/zinc/26/35/69/636263569.db2.gz UMMLQMCJDVEKTG-QRQLOZEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028571360 636342251 /nfs/dbraw/zinc/34/22/51/636342251.db2.gz AWCYKCBTDSCYAE-AWEZNQCLSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004458816 636459765 /nfs/dbraw/zinc/45/97/65/636459765.db2.gz QWKSIFYPNHJZAM-ROUUACIJSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004615911 636502360 /nfs/dbraw/zinc/50/23/60/636502360.db2.gz JMVHDOUYXHWFRT-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028918331 636849934 /nfs/dbraw/zinc/84/99/34/636849934.db2.gz FGITZAQVBQJNRD-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487088 637201143 /nfs/dbraw/zinc/20/11/43/637201143.db2.gz WSMUAZYVZADKST-CABCVRRESA-N 2 0 321.490 2.322 20 30 DEEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001006277527 637318044 /nfs/dbraw/zinc/31/80/44/637318044.db2.gz GQLNVULZPMOJLX-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP N#Cc1ccc(C[N@@H+]2CCCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000741753142 638008462 /nfs/dbraw/zinc/00/84/62/638008462.db2.gz OXJLSQACSSQFLX-UHFFFAOYSA-N 2 0 312.461 2.162 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000985429253 639395777 /nfs/dbraw/zinc/39/57/77/639395777.db2.gz NZEBDBFJVMOSSI-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000985685704 639584147 /nfs/dbraw/zinc/58/41/47/639584147.db2.gz IKUZMROPCDABOO-KRWDZBQOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000764454846 640637991 /nfs/dbraw/zinc/63/79/91/640637991.db2.gz ADMQCRQWRSRCRP-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000764522314 640649693 /nfs/dbraw/zinc/64/96/93/640649693.db2.gz LJWUERCGDFYARM-INIZCTEOSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000989634338 641174177 /nfs/dbraw/zinc/17/41/77/641174177.db2.gz BKHYHGHEHNFKHN-GOEBONIOSA-N 2 0 310.401 2.251 20 30 DEEDRP C[NH+]1CCN(c2ccc(C=[NH+]OCc3cccnc3)cc2)CC1 ZINC000771557271 641525070 /nfs/dbraw/zinc/52/50/70/641525070.db2.gz ALKLPIRQIZQOON-UHFFFAOYSA-N 2 0 310.401 2.384 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990785840 642070594 /nfs/dbraw/zinc/07/05/94/642070594.db2.gz AAGRTIVDIBDWMI-VXIBKDFQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000900428950 642368836 /nfs/dbraw/zinc/36/88/36/642368836.db2.gz LNQPXIIYTDJIOW-ULQDDVLXSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000900719500 642451330 /nfs/dbraw/zinc/45/13/30/642451330.db2.gz BKRZJCATRMBANL-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903988018 643541462 /nfs/dbraw/zinc/54/14/62/643541462.db2.gz MPVMQRHXCITVBK-CVEARBPZSA-N 2 0 301.438 2.203 20 30 DEEDRP C[NH+]1CCC(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000788482279 643615425 /nfs/dbraw/zinc/61/54/25/643615425.db2.gz LWUUQXZAAUUSIY-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP CCOCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908921 646674667 /nfs/dbraw/zinc/67/46/67/646674667.db2.gz OKPMHSLOGXYABY-UHFFFAOYSA-N 2 0 318.465 2.113 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992435478 647000887 /nfs/dbraw/zinc/00/08/87/647000887.db2.gz UWEWBRRWLBJQOM-ZIFCJYIRSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3ncc[nH]3)C[C@@H]21 ZINC000992668836 647182746 /nfs/dbraw/zinc/18/27/46/647182746.db2.gz PNPFQYIHVBRWJM-HRCADAONSA-N 2 0 316.449 2.135 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC000992783305 647246347 /nfs/dbraw/zinc/24/63/47/647246347.db2.gz CPLVJZFTEJKLQZ-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC000992783287 647246490 /nfs/dbraw/zinc/24/64/90/647246490.db2.gz CPLVJZFTEJKLQZ-FGTMMUONSA-N 2 0 319.493 2.121 20 30 DEEDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819252180 647617637 /nfs/dbraw/zinc/61/76/37/647617637.db2.gz OVAZVEZPNXEYCG-HXUWFJFHSA-N 2 0 323.440 2.486 20 30 DEEDRP CSC1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000819320872 647633950 /nfs/dbraw/zinc/63/39/50/647633950.db2.gz GIKYSAJWLVWAJW-INIZCTEOSA-N 2 0 319.474 2.009 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993487097 647685211 /nfs/dbraw/zinc/68/52/11/647685211.db2.gz FHQNCIILCWRWGH-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993528260 647690188 /nfs/dbraw/zinc/69/01/88/647690188.db2.gz KBKBXNMBSCBZGS-QAPCUYQASA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015714388 647887346 /nfs/dbraw/zinc/88/73/46/647887346.db2.gz YFRVXEHKEPORQU-SFHVURJKSA-N 2 0 315.461 2.171 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940801148 648945048 /nfs/dbraw/zinc/94/50/48/648945048.db2.gz ODZPSTYMPVJXGJ-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798306 648948497 /nfs/dbraw/zinc/94/84/97/648948497.db2.gz GDGZXDPYKILBEQ-SJORKVTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033867 648990500 /nfs/dbraw/zinc/99/05/00/648990500.db2.gz WWPWZGAJXAAOMT-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033869 648990595 /nfs/dbraw/zinc/99/05/95/648990595.db2.gz WWPWZGAJXAAOMT-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257191 649192120 /nfs/dbraw/zinc/19/21/20/649192120.db2.gz KYQWVCIRAVEAFQ-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756599 649422722 /nfs/dbraw/zinc/42/27/22/649422722.db2.gz SAFXXXXZKQADCN-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCOCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000852022386 652317440 /nfs/dbraw/zinc/31/74/40/652317440.db2.gz LDPSDXFFJJZHQK-MRXNPFEDSA-N 2 0 306.475 2.460 20 30 DEEDRP CCC(CC)(CNC(=[NH2+])NCCOC)[NH2+][C@@H](C)c1ccccc1 ZINC000111994593 652652775 /nfs/dbraw/zinc/65/27/75/652652775.db2.gz WWAIZWNLFIQZNC-HNNXBMFYSA-N 2 0 320.481 2.447 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001371363149 1155833737 /nfs/dbraw/zinc/83/37/37/1155833737.db2.gz LDSIBRTZNRBHHB-AWEZNQCLSA-N 2 0 323.868 2.251 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](CC[NH3+])C1)C(C)C ZINC001356570259 1152090324 /nfs/dbraw/zinc/09/03/24/1152090324.db2.gz RLRLLLNMBHZEIF-SJORKVTESA-N 2 0 322.497 2.065 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304739176 685258787 /nfs/dbraw/zinc/25/87/87/685258787.db2.gz BCPQTWVBWZPXMB-QGZVFWFLSA-N 3 0 323.529 2.031 20 30 DEEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCSCC1 ZINC000304757162 685260056 /nfs/dbraw/zinc/26/00/56/685260056.db2.gz OMFAVGAQHISCFC-MRXNPFEDSA-N 2 0 318.490 2.015 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000245922455 685120321 /nfs/dbraw/zinc/12/03/21/685120321.db2.gz UUXLXMBQYWFXLY-LSDHHAIUSA-N 2 0 318.465 2.220 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC2CC[NH+](C)CC2)c1 ZINC000303871538 685236437 /nfs/dbraw/zinc/23/64/37/685236437.db2.gz FXOKLUAHXXCAQL-UHFFFAOYSA-N 2 0 320.437 2.162 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000929790789 694028486 /nfs/dbraw/zinc/02/84/86/694028486.db2.gz MXNOBQSGCDWHTE-KRWDZBQOSA-N 2 0 313.445 2.270 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001054722426 694032593 /nfs/dbraw/zinc/03/25/93/694032593.db2.gz QIDCBXLOYNZGAG-JSGCOSHPSA-N 2 0 307.463 2.046 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001054863710 694061094 /nfs/dbraw/zinc/06/10/94/694061094.db2.gz VXESHKOJUQOOGR-IAQYHMDHSA-N 2 0 318.808 2.137 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001054929411 694073932 /nfs/dbraw/zinc/07/39/32/694073932.db2.gz FZUJYWBACPODNJ-YJBOKZPZSA-N 2 0 315.461 2.027 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016631537 687669102 /nfs/dbraw/zinc/66/91/02/687669102.db2.gz UGIJSMXMXUONNI-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016630927 687669588 /nfs/dbraw/zinc/66/95/88/687669588.db2.gz LLBGXANLRGJLEO-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018301416 688104567 /nfs/dbraw/zinc/10/45/67/688104567.db2.gz RCLPYCFMJCAHAY-CALCHBBNSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001018315419 688107683 /nfs/dbraw/zinc/10/76/83/688107683.db2.gz YZSOXSWOGZXGSA-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031767280 688993006 /nfs/dbraw/zinc/99/30/06/688993006.db2.gz UXLHXGCAEUUYBW-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031979267 689034007 /nfs/dbraw/zinc/03/40/07/689034007.db2.gz UZOKZBUZMZOUHU-UHFFFAOYSA-N 2 0 315.461 2.028 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027041 689044718 /nfs/dbraw/zinc/04/47/18/689044718.db2.gz MHDLAENZBLSHBV-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033083706 689380861 /nfs/dbraw/zinc/38/08/61/689380861.db2.gz WZNWSRDGFGNYRY-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033099297 689386749 /nfs/dbraw/zinc/38/67/49/689386749.db2.gz OXKBQHXVTNIUCN-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143970 689402579 /nfs/dbraw/zinc/40/25/79/689402579.db2.gz OWFYUEAVGVXQIJ-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145578 689404087 /nfs/dbraw/zinc/40/40/87/689404087.db2.gz IGFHBOBGHLOKIE-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033575368 689548740 /nfs/dbraw/zinc/54/87/40/689548740.db2.gz RBMIFJRGPUTABK-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCCC)C2)CC1 ZINC001034045842 689705242 /nfs/dbraw/zinc/70/52/42/689705242.db2.gz NTFZCLYZPJBONP-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034370525 689826046 /nfs/dbraw/zinc/82/60/46/689826046.db2.gz XMKJPXYKWWZDRY-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP CN(C)c1ccc(C#N)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000876691048 689904602 /nfs/dbraw/zinc/90/46/02/689904602.db2.gz YMUZXLMLVJFUSI-UHFFFAOYSA-N 2 0 300.450 2.398 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000876723714 689916057 /nfs/dbraw/zinc/91/60/57/689916057.db2.gz XVRZEMCPDUDVSE-KBPBESRZSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000876724859 689917199 /nfs/dbraw/zinc/91/71/99/689917199.db2.gz ARBIPFFIXPZVEI-NFAWXSAZSA-N 2 0 315.889 2.331 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001034676395 689924715 /nfs/dbraw/zinc/92/47/15/689924715.db2.gz YIDYTARQWCWKKD-QBPKDAKJSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877120436 690023204 /nfs/dbraw/zinc/02/32/04/690023204.db2.gz ROIMEEWMYHTDAW-HZPDHXFCSA-N 2 0 321.852 2.095 20 30 DEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877333444 690078467 /nfs/dbraw/zinc/07/84/67/690078467.db2.gz VOZJHTRYQJTNJH-UHFFFAOYSA-N 2 0 310.829 2.055 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035856145 690194625 /nfs/dbraw/zinc/19/46/25/690194625.db2.gz KCAQUEIEWVGHEQ-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001036093707 690258788 /nfs/dbraw/zinc/25/87/88/690258788.db2.gz FWHDJNNJRJLYSS-NVXWUHKLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759879 690461915 /nfs/dbraw/zinc/46/19/15/690461915.db2.gz RWYNTHGSHVLCTQ-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038624893 690879379 /nfs/dbraw/zinc/87/93/79/690879379.db2.gz OWZSKTVQRGWZBF-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134005 691029458 /nfs/dbraw/zinc/02/94/58/691029458.db2.gz NQYUESBPMABGIB-QZTJIDSGSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140454 691031830 /nfs/dbraw/zinc/03/18/30/691031830.db2.gz VGTYGOBBBRZVAZ-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039386397 691094865 /nfs/dbraw/zinc/09/48/65/691094865.db2.gz NCCZJHHEDYCMNV-KSZLIROESA-N 2 0 319.493 2.216 20 30 DEEDRP C[NH+]1CCN(C2CC[NH+](CC3CCC(C#N)CC3)CC2)CC1 ZINC000931550817 694425644 /nfs/dbraw/zinc/42/56/44/694425644.db2.gz ZTPBVEFSXLUMJV-UHFFFAOYSA-N 2 0 304.482 2.028 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040240161 691218619 /nfs/dbraw/zinc/21/86/19/691218619.db2.gz CHSYFRPJJNDATP-PKOBYXMFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040263869 691222074 /nfs/dbraw/zinc/22/20/74/691222074.db2.gz JCYDGJIVYZUFBC-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040263867 691222440 /nfs/dbraw/zinc/22/24/40/691222440.db2.gz JCYDGJIVYZUFBC-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040381474 691239596 /nfs/dbraw/zinc/23/95/96/691239596.db2.gz XHMXGFNDGYNCNT-MJGOQNOKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040527115 691261716 /nfs/dbraw/zinc/26/17/16/691261716.db2.gz FSTGPRHGIWNCKH-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000883172459 691447860 /nfs/dbraw/zinc/44/78/60/691447860.db2.gz HNZKKNIZYLWYPO-OKZBNKHCSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000883189037 691452976 /nfs/dbraw/zinc/45/29/76/691452976.db2.gz XABYVWRMEYQYRR-NEWSRXKRSA-N 2 0 321.509 2.258 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042122413 691513956 /nfs/dbraw/zinc/51/39/56/691513956.db2.gz NHRUOOCBUAHJEX-CRAIPNDOSA-N 2 0 324.428 2.365 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045619202 692006672 /nfs/dbraw/zinc/00/66/72/692006672.db2.gz CFFCFWAXMKXDML-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045619383 692006703 /nfs/dbraw/zinc/00/67/03/692006703.db2.gz FJFDGWLNIHOKPB-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045949048 692060910 /nfs/dbraw/zinc/06/09/10/692060910.db2.gz XRFMPTZWGCPTHO-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047264926 692405075 /nfs/dbraw/zinc/40/50/75/692405075.db2.gz CIBSEFBAFXIJBB-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049096968 692763658 /nfs/dbraw/zinc/76/36/58/692763658.db2.gz FKPOWBJEPHHVTQ-KSZLIROESA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165669 692777657 /nfs/dbraw/zinc/77/76/57/692777657.db2.gz XUERBETZFIQHLB-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531985 692914021 /nfs/dbraw/zinc/91/40/21/692914021.db2.gz FXRWSOSMHHCCAJ-ULQDDVLXSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819751 693011212 /nfs/dbraw/zinc/01/12/12/693011212.db2.gz HUNDVRRMSWSNPV-ROUUACIJSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049841642 693018329 /nfs/dbraw/zinc/01/83/29/693018329.db2.gz SYKYFNYNCHFMGE-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925816971 693347116 /nfs/dbraw/zinc/34/71/16/693347116.db2.gz KJBZJHNOHPZTEA-RBUKOAKNSA-N 2 0 312.461 2.264 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000925893172 693360787 /nfs/dbraw/zinc/36/07/87/693360787.db2.gz MJTRROVSQIIUIS-YESZJQIVSA-N 2 0 313.449 2.266 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052370015 693517362 /nfs/dbraw/zinc/51/73/62/693517362.db2.gz XVPOWXHVAGSLGT-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384214 693520948 /nfs/dbraw/zinc/52/09/48/693520948.db2.gz AZGVONXWMUOFHE-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001402610479 1162409336 /nfs/dbraw/zinc/40/93/36/1162409336.db2.gz LFTOYRKSECMNNQ-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001382543904 1153467676 /nfs/dbraw/zinc/46/76/76/1153467676.db2.gz XOBFYVOEUYCPIH-KBPBESRZSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001389343371 1155314996 /nfs/dbraw/zinc/31/49/96/1155314996.db2.gz JAYMRLVAVRYRFR-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001392579685 1157158114 /nfs/dbraw/zinc/15/81/14/1157158114.db2.gz MAFXCXFVNIUNSX-AWEZNQCLSA-N 2 0 323.868 2.251 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001393078774 1157660668 /nfs/dbraw/zinc/66/06/68/1157660668.db2.gz IEVVMAKVIFMIHZ-LSDHHAIUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001393880431 1158041660 /nfs/dbraw/zinc/04/16/60/1158041660.db2.gz BYZSOTKWPGEWIO-ZIAGYGMSSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376549218 1159528899 /nfs/dbraw/zinc/52/88/99/1159528899.db2.gz SSVSEALGPYAPOD-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)CN1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398255869 1160836632 /nfs/dbraw/zinc/83/66/32/1160836632.db2.gz SZFQEGDBOGZIBT-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001401964456 1162199449 /nfs/dbraw/zinc/19/94/49/1162199449.db2.gz TUQYBRLPQNSDQU-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001492965629 1165214394 /nfs/dbraw/zinc/21/43/94/1165214394.db2.gz LTGGWCJSCCUKDD-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001418256267 1167523092 /nfs/dbraw/zinc/52/30/92/1167523092.db2.gz KQFVISBUSCXTPZ-AWEZNQCLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001425950118 1174531983 /nfs/dbraw/zinc/53/19/83/1174531983.db2.gz HJTBPZFRSROJKK-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001438422450 1180409619 /nfs/dbraw/zinc/40/96/19/1180409619.db2.gz SMRRZKCTUCYUML-MRXNPFEDSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001440607075 1181609754 /nfs/dbraw/zinc/60/97/54/1181609754.db2.gz WRWCJTJPYQPKEU-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001449031115 1185498496 /nfs/dbraw/zinc/49/84/96/1185498496.db2.gz YCNIPLYTILIFAB-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001449031126 1185499080 /nfs/dbraw/zinc/49/90/80/1185499080.db2.gz YCNIPLYTILIFAB-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072850101 790273249 /nfs/dbraw/zinc/27/32/49/790273249.db2.gz RAIKXTLBYMWIFG-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257141 782385614 /nfs/dbraw/zinc/38/56/14/782385614.db2.gz VGAFUOOZANDJQI-SJORKVTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001332827421 1149897217 /nfs/dbraw/zinc/89/72/17/1149897217.db2.gz XAGSBTMTWPRXAE-HNNXBMFYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225354 782705825 /nfs/dbraw/zinc/70/58/25/782705825.db2.gz RSYXBYROOFUKFN-HZPDHXFCSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825352 782964862 /nfs/dbraw/zinc/96/48/62/782964862.db2.gz NKGXBYKLJZVHSR-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386054 783063012 /nfs/dbraw/zinc/06/30/12/783063012.db2.gz MGQGJJJTCOVEAA-DLBZAZTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099323974 783087783 /nfs/dbraw/zinc/08/77/83/783087783.db2.gz DISHXWSATCIFPS-OAHLLOKOSA-N 2 0 318.465 2.444 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001100428086 776744918 /nfs/dbraw/zinc/74/49/18/776744918.db2.gz XOHZBDHOECTOKE-UYSNPLJNSA-N 2 0 304.438 2.141 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167225172 776782148 /nfs/dbraw/zinc/78/21/48/776782148.db2.gz PSJHDJGHMSSGCA-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104310760 777015265 /nfs/dbraw/zinc/01/52/65/777015265.db2.gz HDNYPAYPCGTNGF-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171068185 790547439 /nfs/dbraw/zinc/54/74/39/790547439.db2.gz DVIVUDOOIGGQCN-AWEZNQCLSA-N 2 0 321.490 2.321 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001167700684 777898133 /nfs/dbraw/zinc/89/81/33/777898133.db2.gz SRJZWEKWHJJLEP-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642071 779390582 /nfs/dbraw/zinc/39/05/82/779390582.db2.gz SKPCGXRTSUCCFB-DLBZAZTESA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684596 779408648 /nfs/dbraw/zinc/40/86/48/779408648.db2.gz CLCJXFNXXIQARN-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087797044 779454263 /nfs/dbraw/zinc/45/42/63/779454263.db2.gz VWDMGGHCXWPNOC-SOUVJXGZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041727 779651002 /nfs/dbraw/zinc/65/10/02/779651002.db2.gz GXQVVYVZIYVHHC-WBVHZDCISA-N 2 0 324.428 2.304 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090508 779694657 /nfs/dbraw/zinc/69/46/57/779694657.db2.gz RVCQYCWMXXCXQR-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876225 780041648 /nfs/dbraw/zinc/04/16/48/780041648.db2.gz MSMYUOCIOKNNKB-OKZBNKHCSA-N 2 0 319.493 2.073 20 30 DEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105578777 780776149 /nfs/dbraw/zinc/77/61/49/780776149.db2.gz GUKZFDNXMVVRBY-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972855 780946711 /nfs/dbraw/zinc/94/67/11/780946711.db2.gz MTJNMHCTAXDGKW-MAUKXSAKSA-N 2 0 324.428 2.365 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908663 783265227 /nfs/dbraw/zinc/26/52/27/783265227.db2.gz URMKDRXJQMGDQX-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593307 783517690 /nfs/dbraw/zinc/51/76/90/783517690.db2.gz BXOISUIDYLASKB-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001085826712 784112223 /nfs/dbraw/zinc/11/22/23/784112223.db2.gz VYBGXDDOKJKNPT-ARFHVFGLSA-N 2 0 316.449 2.023 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876252 784166986 /nfs/dbraw/zinc/16/69/86/784166986.db2.gz VYEVDWCIFBYHTA-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001114922256 784491961 /nfs/dbraw/zinc/49/19/61/784491961.db2.gz VVZGGZONONJEKM-XDNAFOTISA-N 2 0 319.493 2.262 20 30 DEEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968867387 784626699 /nfs/dbraw/zinc/62/66/99/784626699.db2.gz WKLIXOOCWZDQFH-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936334 784659704 /nfs/dbraw/zinc/65/97/04/784659704.db2.gz DULSTFZMHJYOAD-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936502 784659730 /nfs/dbraw/zinc/65/97/30/784659730.db2.gz JSDNGWNHQNOUFP-QGZVFWFLSA-N 2 0 324.428 2.332 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086523058 784848505 /nfs/dbraw/zinc/84/85/05/784848505.db2.gz XPTALRSJEQLRCR-JCNLHEQBSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171237064 791083074 /nfs/dbraw/zinc/08/30/74/791083074.db2.gz OKNCCSBQZDTEFT-ROUUACIJSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009145325 785395305 /nfs/dbraw/zinc/39/53/05/785395305.db2.gz NXCSCTOVNKMOMI-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719015 785504739 /nfs/dbraw/zinc/50/47/39/785504739.db2.gz FCNQXNZHRCRYNT-ULQDDVLXSA-N 2 0 317.477 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801075 785544479 /nfs/dbraw/zinc/54/44/79/785544479.db2.gz RZIXOUPWMXMIQL-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293464 785794509 /nfs/dbraw/zinc/79/45/09/785794509.db2.gz CQYLEKJWROSERZ-BDXSIMOUSA-N 2 0 317.477 2.016 20 30 DEEDRP 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 785974387 /nfs/dbraw/zinc/97/43/87/785974387.db2.gz KDGGKPYPFPOIJP-PMPSAXMXSA-N 2 0 305.466 2.016 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156967480 786110340 /nfs/dbraw/zinc/11/03/40/786110340.db2.gz YRVOLBFXTLAMQM-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001112920803 786297066 /nfs/dbraw/zinc/29/70/66/786297066.db2.gz LBFLSZFPDINHFZ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111594 787935675 /nfs/dbraw/zinc/93/56/75/787935675.db2.gz TYOXCJSZGGIQFB-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)CN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266747 787997421 /nfs/dbraw/zinc/99/74/21/787997421.db2.gz ZLHXOBGABKZDES-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430638 788101887 /nfs/dbraw/zinc/10/18/87/788101887.db2.gz MPRMUQOCSDENLZ-ZACQAIPSSA-N 2 0 317.477 2.303 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519031 788107346 /nfs/dbraw/zinc/10/73/46/788107346.db2.gz RNYOREUJFBIEJL-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790565 788194429 /nfs/dbraw/zinc/19/44/29/788194429.db2.gz IGSXPIVTPOWGHV-QGZVFWFLSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950638 788236807 /nfs/dbraw/zinc/23/68/07/788236807.db2.gz OYUBHOQHHNIEDT-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133071640 788273607 /nfs/dbraw/zinc/27/36/07/788273607.db2.gz ACEHIPWEDWIMRW-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772727 789073118 /nfs/dbraw/zinc/07/31/18/789073118.db2.gz HFHUNYSTUFFEEH-QWHCGFSZSA-N 2 0 303.878 2.342 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135297554 789276911 /nfs/dbraw/zinc/27/69/11/789276911.db2.gz DMKKSIJYVCHJNW-UONOGXRCSA-N 2 0 307.438 2.404 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481802 789358777 /nfs/dbraw/zinc/35/87/77/789358777.db2.gz XSFQQQQJBOVRHH-DLBZAZTESA-N 2 0 317.477 2.220 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827437 789515036 /nfs/dbraw/zinc/51/50/36/789515036.db2.gz WOEMURFAFNJTFY-HZPDHXFCSA-N 2 0 307.482 2.003 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](CCC)CCC ZINC001135906120 789555552 /nfs/dbraw/zinc/55/55/52/789555552.db2.gz ZRSFMQWQUVWEIP-SJORKVTESA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600044 789804121 /nfs/dbraw/zinc/80/41/21/789804121.db2.gz FERLHGRTXHXIID-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682143 789862804 /nfs/dbraw/zinc/86/28/04/789862804.db2.gz HRWFKLRMLDANOB-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820673 789928996 /nfs/dbraw/zinc/92/89/96/789928996.db2.gz BQTGGVANJHNOMA-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCC2)CC1 ZINC001146610598 791322765 /nfs/dbraw/zinc/32/27/65/791322765.db2.gz KPWMEQRVXFTCSU-HOTGVXAUSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001092302246 791974023 /nfs/dbraw/zinc/97/40/23/791974023.db2.gz VBYQCHAVVLJUIX-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092603041 792081169 /nfs/dbraw/zinc/08/11/69/792081169.db2.gz RYMJSXZNQFBGFG-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676939 792109136 /nfs/dbraw/zinc/10/91/36/792109136.db2.gz QAUUBDFEZRLSAT-NUJGCVRESA-N 2 0 319.493 2.264 20 30 DEEDRP 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 792120724 /nfs/dbraw/zinc/12/07/24/792120724.db2.gz OVYLXZXWQFJYJD-ZJPYXAASSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782533 792135480 /nfs/dbraw/zinc/13/54/80/792135480.db2.gz PUQFDNHITWEQHV-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101280177 793097501 /nfs/dbraw/zinc/09/75/01/793097501.db2.gz IQHZXBQGVNCOIW-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508360 793118170 /nfs/dbraw/zinc/11/81/70/793118170.db2.gz CVAQMOXSGBKDAL-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646066 793157626 /nfs/dbraw/zinc/15/76/26/793157626.db2.gz IBGNMGAXUXRMQP-ZWKOTPCHSA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171813124 793222257 /nfs/dbraw/zinc/22/22/57/793222257.db2.gz ZJUHVIUBESKJHZ-HNNXBMFYSA-N 2 0 312.417 2.236 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001101576042 793242261 /nfs/dbraw/zinc/24/22/61/793242261.db2.gz SPDCYNUGCWQWLW-INIZCTEOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101596129 793260446 /nfs/dbraw/zinc/26/04/46/793260446.db2.gz KLQODKJKDKJMQB-UHFFFAOYSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCOCc1nn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2c1C[NH2+]C2 ZINC001172119064 793340357 /nfs/dbraw/zinc/34/03/57/793340357.db2.gz SBHICEHQCNMSSC-FICVDOATSA-N 2 0 316.449 2.377 20 30 DEEDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301524 793393599 /nfs/dbraw/zinc/39/35/99/793393599.db2.gz PTVYSNVHNJFGFJ-INIZCTEOSA-N 2 0 302.466 2.092 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001094937114 793470737 /nfs/dbraw/zinc/47/07/37/793470737.db2.gz FMQPIUGUXCQNNR-UXLLHSPISA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051983 793488218 /nfs/dbraw/zinc/48/82/18/793488218.db2.gz XBVOTGMJAZGSJJ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102123023 793509294 /nfs/dbraw/zinc/50/92/94/793509294.db2.gz ZLURUPFAAYBTIY-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001094961813 793517120 /nfs/dbraw/zinc/51/71/20/793517120.db2.gz KZTBIZOSMQCTOI-ZVZYQTTQSA-N 2 0 324.428 2.493 20 30 DEEDRP C[NH+]1CCC(CN2CC[NH+](C3CCC(CC#N)CC3)CC2)CC1 ZINC001173339098 793683682 /nfs/dbraw/zinc/68/36/82/793683682.db2.gz CPJXJEQKTVOYRT-UHFFFAOYSA-N 2 0 318.509 2.418 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001177415635 794665418 /nfs/dbraw/zinc/66/54/18/794665418.db2.gz GKWQRCZUNCHUIO-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177489220 794680874 /nfs/dbraw/zinc/68/08/74/794680874.db2.gz VCUGORJTHJWYSJ-UHFFFAOYSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297701 794726295 /nfs/dbraw/zinc/72/62/95/794726295.db2.gz ICGQTFIFXMMQCN-VXNCWWDNSA-N 2 0 319.493 2.264 20 30 DEEDRP N#CCOc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC001177839739 794762856 /nfs/dbraw/zinc/76/28/56/794762856.db2.gz DRNRPCFIGMYMDL-UHFFFAOYSA-N 2 0 319.368 2.459 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768577 794913971 /nfs/dbraw/zinc/91/39/71/794913971.db2.gz CMSWEEUEKZQOHY-SJORKVTESA-N 2 0 317.477 2.045 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808494 795001247 /nfs/dbraw/zinc/00/12/47/795001247.db2.gz KUIYXIJDUNRWJB-UHFFFAOYSA-N 2 0 319.493 2.152 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H]1C ZINC001179024836 795042335 /nfs/dbraw/zinc/04/23/35/795042335.db2.gz ARVRISMZMUGDJW-RDJZCZTQSA-N 2 0 316.449 2.063 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001179564695 795132032 /nfs/dbraw/zinc/13/20/32/795132032.db2.gz IHSNAZFUURGNBQ-QGZVFWFLSA-N 2 0 309.498 2.396 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652968 795147279 /nfs/dbraw/zinc/14/72/79/795147279.db2.gz VAJVZMSFFLFMBA-ULQDDVLXSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C(C)C)[C@H]1C ZINC001179634063 795151462 /nfs/dbraw/zinc/15/14/62/795151462.db2.gz QAAOYUYDHIBRSG-GJZGRUSLSA-N 2 0 304.438 2.162 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189393 795419489 /nfs/dbraw/zinc/41/94/89/795419489.db2.gz IYKWGIJZGVGDIH-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423228 795457194 /nfs/dbraw/zinc/45/71/94/795457194.db2.gz SEYCJLPTORCFID-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430151 795458425 /nfs/dbraw/zinc/45/84/25/795458425.db2.gz IPACKNQCANATDL-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181755825 795533803 /nfs/dbraw/zinc/53/38/03/795533803.db2.gz XMSXAEMKESAYTP-HHXXYDBFSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007139 795592883 /nfs/dbraw/zinc/59/28/83/795592883.db2.gz DNZINENLCPQLKO-SJLPKXTDSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182116473 795605799 /nfs/dbraw/zinc/60/57/99/795605799.db2.gz YBDBIYZAIDRMPY-DNVCBOLYSA-N 2 0 324.428 2.045 20 30 DEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761109 795683621 /nfs/dbraw/zinc/68/36/21/795683621.db2.gz FRORVKOHFJSPDA-APUKJBRXSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121773104 795685954 /nfs/dbraw/zinc/68/59/54/795685954.db2.gz OBSAGWVXGZIZLJ-DKVCYUOUSA-N 2 0 319.493 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122249833 795739127 /nfs/dbraw/zinc/73/91/27/795739127.db2.gz YQPVABZFGQYGTP-UHFFFAOYSA-N 2 0 313.873 2.096 20 30 DEEDRP CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001122247262 795739469 /nfs/dbraw/zinc/73/94/69/795739469.db2.gz CAGYMRUKVRJDHG-PQUAAJSLSA-N 2 0 320.481 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001183977108 795971758 /nfs/dbraw/zinc/97/17/58/795971758.db2.gz CBHKODSZOPOKSP-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184555840 796083644 /nfs/dbraw/zinc/08/36/44/796083644.db2.gz MIPFZJCQLIJQPM-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184714294 796109389 /nfs/dbraw/zinc/10/93/89/796109389.db2.gz WWJHQWRCDWIMCB-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184722632 796115632 /nfs/dbraw/zinc/11/56/32/796115632.db2.gz CWQOJYYVMXWJNU-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185029378 796174795 /nfs/dbraw/zinc/17/47/95/796174795.db2.gz HICZWAFWAFSAGR-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC1CC[NH+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139259579 796351395 /nfs/dbraw/zinc/35/13/95/796351395.db2.gz WWFUFVQVZVCSPL-UHFFFAOYSA-N 2 0 302.418 2.308 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001186075165 796353475 /nfs/dbraw/zinc/35/34/75/796353475.db2.gz OCSYKNFSDMNRQH-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456567 796674286 /nfs/dbraw/zinc/67/42/86/796674286.db2.gz QUGNKZSTFGOVIB-FUHWJXTLSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001141569220 796677062 /nfs/dbraw/zinc/67/70/62/796677062.db2.gz CMPQYOJMVILGCO-SFHVURJKSA-N 2 0 315.461 2.057 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646137 797047809 /nfs/dbraw/zinc/04/78/09/797047809.db2.gz XWRBNEPWLXAMIV-CVEARBPZSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001152337700 797173104 /nfs/dbraw/zinc/17/31/04/797173104.db2.gz KQEXLMMCIZQVFE-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191360839 797190287 /nfs/dbraw/zinc/19/02/87/797190287.db2.gz TYQGRQMEYXSNLZ-GDBMZVCRSA-N 2 0 304.438 2.079 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464749 797539498 /nfs/dbraw/zinc/53/94/98/797539498.db2.gz WJPGDSSSVZKCPY-QGZVFWFLSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498582 797575905 /nfs/dbraw/zinc/57/59/05/797575905.db2.gz FTAJPHPLVHAYIQ-OAHLLOKOSA-N 2 0 316.449 2.260 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273910 797696496 /nfs/dbraw/zinc/69/64/96/797696496.db2.gz BSZQTQBPECGPTQ-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249966 797717342 /nfs/dbraw/zinc/71/73/42/797717342.db2.gz WYWYUYJSXBOPMO-MRXNPFEDSA-N 2 0 317.477 2.417 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194421326 797724913 /nfs/dbraw/zinc/72/49/13/797724913.db2.gz ZVQPHWXJPLGRMI-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196010256 797993030 /nfs/dbraw/zinc/99/30/30/797993030.db2.gz LVSFGCPUTQZDRZ-INIZCTEOSA-N 2 0 313.461 2.167 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157965340 798316096 /nfs/dbraw/zinc/31/60/96/798316096.db2.gz ZKYNNKOIRVBILG-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001158396529 798400086 /nfs/dbraw/zinc/40/00/86/798400086.db2.gz AGSHGRMKCKGITN-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480374 798413333 /nfs/dbraw/zinc/41/33/33/798413333.db2.gz LDLVKHJLKVFDIT-QGZVFWFLSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158507679 798419076 /nfs/dbraw/zinc/41/90/76/798419076.db2.gz MDFJTTZDJACTLZ-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161205080 798809209 /nfs/dbraw/zinc/80/92/09/798809209.db2.gz CDLGKNVSZHSSQJ-INIZCTEOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202225087 798844575 /nfs/dbraw/zinc/84/45/75/798844575.db2.gz QOMQTNWKUZUSFP-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667844 798953816 /nfs/dbraw/zinc/95/38/16/798953816.db2.gz MRQIQCPKHSTIIH-WCXIOVBPSA-N 2 0 305.466 2.014 20 30 DEEDRP 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 798964419 /nfs/dbraw/zinc/96/44/19/798964419.db2.gz BANNYYFKDSYNCH-VQHPVUNQSA-N 2 0 305.466 2.158 20 30 DEEDRP 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 799147871 /nfs/dbraw/zinc/14/78/71/799147871.db2.gz NQUOVJBQXRHDPI-CAOSSQGBSA-N 2 0 307.482 2.118 20 30 DEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(C2(C#N)CCC2)cn1 ZINC001163125704 799252051 /nfs/dbraw/zinc/25/20/51/799252051.db2.gz HKBMHPXPTQXVFP-UHFFFAOYSA-N 2 0 314.437 2.305 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163247073 799287632 /nfs/dbraw/zinc/28/76/32/799287632.db2.gz BKXNGPWONNQCJW-UHFFFAOYSA-N 2 0 303.450 2.076 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245659 799684586 /nfs/dbraw/zinc/68/45/86/799684586.db2.gz ACWOEXYCEJXZJS-AWEZNQCLSA-N 2 0 307.438 2.405 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485052 799736564 /nfs/dbraw/zinc/73/65/64/799736564.db2.gz KOYVCSPKNNBDCS-QGZVFWFLSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165728405 799766751 /nfs/dbraw/zinc/76/67/51/799766751.db2.gz QWRSKSWPEXHHGN-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111021549 799834243 /nfs/dbraw/zinc/83/42/43/799834243.db2.gz YFNDRUGEMQPEQM-VQHPVUNQSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111020649 799834354 /nfs/dbraw/zinc/83/43/54/799834354.db2.gz GNQSECKGZLLKBV-VQHPVUNQSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736656 799936122 /nfs/dbraw/zinc/93/61/22/799936122.db2.gz QCTCUIQZMHWSKF-UHFFFAOYSA-N 2 0 317.477 2.466 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203324261 800037348 /nfs/dbraw/zinc/03/73/48/800037348.db2.gz GOHJDTJEUFKSHV-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284187 800336617 /nfs/dbraw/zinc/33/66/17/800336617.db2.gz KAWWESATAZHOFN-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462443 800359541 /nfs/dbraw/zinc/35/95/41/800359541.db2.gz YSHSKFZDYBOBNJ-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208361542 800967305 /nfs/dbraw/zinc/96/73/05/800967305.db2.gz FUADRNQGGLNJHN-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208613558 801033452 /nfs/dbraw/zinc/03/34/52/801033452.db2.gz NUDJSIXQJONLDZ-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229503557 801285652 /nfs/dbraw/zinc/28/56/52/801285652.db2.gz KUCFLIMHRLMSLX-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951585 801311542 /nfs/dbraw/zinc/31/15/42/801311542.db2.gz MFZXEKCZFGULBE-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211240575 801536130 /nfs/dbraw/zinc/53/61/30/801536130.db2.gz NBWRFDYPWWZKIK-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153082 801813456 /nfs/dbraw/zinc/81/34/56/801813456.db2.gz BDNJFMNAGSHYHF-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215981433 801924054 /nfs/dbraw/zinc/92/40/54/801924054.db2.gz DWWDEICPWNZGSI-BRWVUGGUSA-N 2 0 309.498 2.365 20 30 DEEDRP N#Cc1cc(F)c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(Cl)c1 ZINC001218995087 802271456 /nfs/dbraw/zinc/27/14/56/802271456.db2.gz OLIWCMNMDYRRSW-JTQLQIEISA-N 2 0 312.776 2.136 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387635 802786246 /nfs/dbraw/zinc/78/62/46/802786246.db2.gz KBQFKFNAABCRMN-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223928378 802823334 /nfs/dbraw/zinc/82/33/34/802823334.db2.gz BBJDTYHBMWAAFY-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224883508 802914412 /nfs/dbraw/zinc/91/44/12/802914412.db2.gz CQPGHEKZIJEDLV-GOSISDBHSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226781988 803158821 /nfs/dbraw/zinc/15/88/21/803158821.db2.gz GZQFBQMZLVFYQN-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227743013 803274308 /nfs/dbraw/zinc/27/43/08/803274308.db2.gz ZLJOUNKVYJRPHZ-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001370092975 1149386625 /nfs/dbraw/zinc/38/66/25/1149386625.db2.gz MDPBAKSNFVVCJZ-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001331516004 1149498166 /nfs/dbraw/zinc/49/81/66/1149498166.db2.gz JQAGYJGIFXXPGT-INIZCTEOSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001328764263 1148832513 /nfs/dbraw/zinc/83/25/13/1148832513.db2.gz JUFOEFWGKPPJTM-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001566534194 1072618298 /nfs/dbraw/zinc/61/82/98/1072618298.db2.gz RZNGTSSKLHJUFW-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001499913291 1058371425 /nfs/dbraw/zinc/37/14/25/1058371425.db2.gz XDWZSLXGPLDASR-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500197022 1058580583 /nfs/dbraw/zinc/58/05/83/1058580583.db2.gz FWBFNSPMCXCXCW-SJLPKXTDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001501701581 1059652711 /nfs/dbraw/zinc/65/27/11/1059652711.db2.gz ZLMFPKCWSWMFMV-QAQDUYKDSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479525949 1061494355 /nfs/dbraw/zinc/49/43/55/1061494355.db2.gz VCJKNHRCIHONSU-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001479725609 1061647876 /nfs/dbraw/zinc/64/78/76/1061647876.db2.gz PVXSHPLUJYENIQ-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001479729072 1061648038 /nfs/dbraw/zinc/64/80/38/1061648038.db2.gz HIJQQBWIQVBCEV-IXDOHACOSA-N 2 0 307.482 2.262 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001479747600 1061675253 /nfs/dbraw/zinc/67/52/53/1061675253.db2.gz ZTOXBXLUOUIIPI-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480088545 1062309598 /nfs/dbraw/zinc/30/95/98/1062309598.db2.gz JDNDXVNRAGAPAC-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480547444 1063019890 /nfs/dbraw/zinc/01/98/90/1063019890.db2.gz AHEHOBKPPDLWFQ-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001508142014 1063579533 /nfs/dbraw/zinc/57/95/33/1063579533.db2.gz JFXACFWUCIICDU-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001493213108 1063644081 /nfs/dbraw/zinc/64/40/81/1063644081.db2.gz HYVFFZKVFVWDCU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001567625331 1064287801 /nfs/dbraw/zinc/28/78/01/1064287801.db2.gz SJTZRPQKHLLXGZ-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001567648080 1064314653 /nfs/dbraw/zinc/31/46/53/1064314653.db2.gz YUGOWYHLCMYTBQ-GOSISDBHSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567689795 1064345952 /nfs/dbraw/zinc/34/59/52/1064345952.db2.gz XPIXNBWGBVSCFN-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001567737672 1064391280 /nfs/dbraw/zinc/39/12/80/1064391280.db2.gz FQOVOFNJTALZMZ-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001494840015 1064501188 /nfs/dbraw/zinc/50/11/88/1064501188.db2.gz QHBCSZPHPAIABH-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001568043884 1064615698 /nfs/dbraw/zinc/61/56/98/1064615698.db2.gz QEVFAFQCGMPICH-FUHWJXTLSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001568098928 1064645945 /nfs/dbraw/zinc/64/59/45/1064645945.db2.gz RWMOSRZTWDVZDO-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001568106241 1064649682 /nfs/dbraw/zinc/64/96/82/1064649682.db2.gz PEEOSHNIDFCBLO-XSLAGTTESA-N 2 0 317.477 2.044 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001568121499 1064658118 /nfs/dbraw/zinc/65/81/18/1064658118.db2.gz CDKYXNIIWDMJKF-SFHVURJKSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001568131953 1064663411 /nfs/dbraw/zinc/66/34/11/1064663411.db2.gz CPEQHMNEMHASIW-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001568243438 1064724439 /nfs/dbraw/zinc/72/44/39/1064724439.db2.gz FYWOCKURQKDABB-UHFFFAOYSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001568358334 1064804687 /nfs/dbraw/zinc/80/46/87/1064804687.db2.gz CLECLBMQPBAGDQ-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001568368251 1064811820 /nfs/dbraw/zinc/81/18/20/1064811820.db2.gz FDHOSGANKWJTCK-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@](C)(NC(=O)CCC[NH+]1CCCCC1)C1CC1 ZINC001495302957 1064818512 /nfs/dbraw/zinc/81/85/12/1064818512.db2.gz METFDYBGEQBLTB-IBGZPJMESA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001495519886 1064961032 /nfs/dbraw/zinc/96/10/32/1064961032.db2.gz JROCHFXQICVDTF-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001569312580 1065421869 /nfs/dbraw/zinc/42/18/69/1065421869.db2.gz FDZBJRPYUWEVNL-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001569310313 1065421797 /nfs/dbraw/zinc/42/17/97/1065421797.db2.gz ZUYRXVMEHJRHIZ-RDJZCZTQSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001569526190 1065569469 /nfs/dbraw/zinc/56/94/69/1065569469.db2.gz HYTNYRZBHSRFDF-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569723319 1065691563 /nfs/dbraw/zinc/69/15/63/1065691563.db2.gz UOYPDNKCDUBVHY-MJGOQNOKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001496867965 1065765086 /nfs/dbraw/zinc/76/50/86/1065765086.db2.gz MNDQFRWLGIWOBL-GJZGRUSLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001570011859 1065881028 /nfs/dbraw/zinc/88/10/28/1065881028.db2.gz SOSIMEXVSAMZKX-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001570048652 1065901393 /nfs/dbraw/zinc/90/13/93/1065901393.db2.gz QXIQCVLGPITENP-KZNAEPCWSA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001570486023 1066091643 /nfs/dbraw/zinc/09/16/43/1066091643.db2.gz XDTJWZCEAVMPLF-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570502870 1066098383 /nfs/dbraw/zinc/09/83/83/1066098383.db2.gz OCSZLKRDBOULFI-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001632547992 1078386276 /nfs/dbraw/zinc/38/62/76/1078386276.db2.gz LCAIVCLWQYONTR-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C[C@H]1C[C@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001576599996 1066643035 /nfs/dbraw/zinc/64/30/35/1066643035.db2.gz WZOBMGAUPLKIJK-DLBZAZTESA-N 2 0 312.461 2.458 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001498776632 1066882239 /nfs/dbraw/zinc/88/22/39/1066882239.db2.gz CYGPHOXCCPAQCD-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001498897383 1066946018 /nfs/dbraw/zinc/94/60/18/1066946018.db2.gz CXNDJTYSVIYFOM-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001499120905 1067107179 /nfs/dbraw/zinc/10/71/79/1067107179.db2.gz XRTXHPBXGJVWPA-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001499737283 1067313685 /nfs/dbraw/zinc/31/36/85/1067313685.db2.gz JIDABTNIKFJYMM-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483486961 1078564402 /nfs/dbraw/zinc/56/44/02/1078564402.db2.gz QFPFWALDOMPKRQ-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)c1sccc1C[NH+](C)C ZINC001640016546 1078637748 /nfs/dbraw/zinc/63/77/48/1078637748.db2.gz ZPVWIPKLKGYSQD-UHFFFAOYSA-N 2 0 309.479 2.390 20 30 DEEDRP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001570805958 1068122067 /nfs/dbraw/zinc/12/20/67/1068122067.db2.gz PWZXHDVEQMPICD-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001571390574 1068270860 /nfs/dbraw/zinc/27/08/60/1068270860.db2.gz JIUCKHSHGGODHR-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001571467427 1068320017 /nfs/dbraw/zinc/32/00/17/1068320017.db2.gz LGUOHUIYRICQSM-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001267330847 1078770627 /nfs/dbraw/zinc/77/06/27/1078770627.db2.gz OZRYCAHNBOQTGW-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001483698842 1078819391 /nfs/dbraw/zinc/81/93/91/1078819391.db2.gz XHOBGCOEERKJPA-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C12CCC(CC1)[NH2+]2)C(C)C ZINC001521438236 1069240502 /nfs/dbraw/zinc/24/05/02/1069240502.db2.gz CTTCCAOFPIUICV-UPTPFMHGSA-N 2 0 305.466 2.086 20 30 DEEDRP C=CC1(CC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C[NH2+]C1 ZINC001574880041 1069284675 /nfs/dbraw/zinc/28/46/75/1069284675.db2.gz NTSBCUJGVFGYHM-OAHLLOKOSA-N 2 0 317.433 2.007 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001483935513 1079195726 /nfs/dbraw/zinc/19/57/26/1079195726.db2.gz XNBBXHJJKYLAGQ-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001483959526 1079204963 /nfs/dbraw/zinc/20/49/63/1079204963.db2.gz WYGNCLBLXJGPEE-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267618868 1079277195 /nfs/dbraw/zinc/27/71/95/1079277195.db2.gz UGSMXAODOQHZDC-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001484113210 1079305869 /nfs/dbraw/zinc/30/58/69/1079305869.db2.gz DRMYHFYMSIGGMX-YOEHRIQHSA-N 2 0 304.438 2.135 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001484125628 1079314065 /nfs/dbraw/zinc/31/40/65/1079314065.db2.gz PBTXJTQAUNAXQP-IBGZPJMESA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267670022 1079358234 /nfs/dbraw/zinc/35/82/34/1079358234.db2.gz KBBBLMRIORUXER-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCSCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001560435531 1075139789 /nfs/dbraw/zinc/13/97/89/1075139789.db2.gz SBMWKAYCEVDMEK-UHFFFAOYSA-N 2 0 305.491 2.447 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001566609442 1075296584 /nfs/dbraw/zinc/29/65/84/1075296584.db2.gz VLVHDDYESOFVKQ-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001566744951 1075332831 /nfs/dbraw/zinc/33/28/31/1075332831.db2.gz BXTBYEGFWXLKJW-QGZVFWFLSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001566748502 1075334087 /nfs/dbraw/zinc/33/40/87/1075334087.db2.gz FIYWTBNFKBIXON-NXOAAHMSSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001567126646 1075438148 /nfs/dbraw/zinc/43/81/48/1075438148.db2.gz AZUAUAPTLVMDOR-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001496338114 1079423760 /nfs/dbraw/zinc/42/37/60/1079423760.db2.gz AWJLRHVWXSQTOH-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267807164 1079508439 /nfs/dbraw/zinc/50/84/39/1079508439.db2.gz SQJZJYYKWKHUAD-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339101 1079549252 /nfs/dbraw/zinc/54/92/52/1079549252.db2.gz STMRKCXKDWWDGG-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001484411104 1079596572 /nfs/dbraw/zinc/59/65/72/1079596572.db2.gz YZMBJUXCQIUDAW-YESZJQIVSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001484618276 1079688980 /nfs/dbraw/zinc/68/89/80/1079688980.db2.gz NBJPYYYIEDBDFT-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001484653089 1079710138 /nfs/dbraw/zinc/71/01/38/1079710138.db2.gz MBHAFQFJBGULDE-KRWDZBQOSA-N 2 0 311.445 2.013 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001481350705 1079743921 /nfs/dbraw/zinc/74/39/21/1079743921.db2.gz POLHPHAJGNVRQB-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001484905183 1079853077 /nfs/dbraw/zinc/85/30/77/1079853077.db2.gz FGKQUCUTSUFNRX-SJORKVTESA-N 2 0 309.498 2.489 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485162477 1080033317 /nfs/dbraw/zinc/03/33/17/1080033317.db2.gz IAJWWZPXTWVJKI-LSDHHAIUSA-N 2 0 307.482 2.146 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001656092217 1080038893 /nfs/dbraw/zinc/03/88/93/1080038893.db2.gz GMUFATXVTXILKF-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001656175722 1080059487 /nfs/dbraw/zinc/05/94/87/1080059487.db2.gz GOJWBWDYIMBAGK-CALCHBBNSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268154796 1080128651 /nfs/dbraw/zinc/12/86/51/1080128651.db2.gz DMZFMKNHGRRRRY-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001656880468 1080132860 /nfs/dbraw/zinc/13/28/60/1080132860.db2.gz FJUDGOWANPSNSH-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272699328 1080153264 /nfs/dbraw/zinc/15/32/64/1080153264.db2.gz HGBCNWOLHFWEDS-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001657910831 1080190142 /nfs/dbraw/zinc/19/01/42/1080190142.db2.gz FQIANSIAEJTNNF-GOSISDBHSA-N 2 0 316.445 2.025 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2[nH]cnc2C)CC1 ZINC001279288979 1080195932 /nfs/dbraw/zinc/19/59/32/1080195932.db2.gz UVNZQHGVTXNMJO-WKILWMFISA-N 2 0 318.465 2.349 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001661127453 1080445395 /nfs/dbraw/zinc/44/53/95/1080445395.db2.gz NSFBTZLJMWYFID-WMZOPIPTSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661221007 1080459087 /nfs/dbraw/zinc/45/90/87/1080459087.db2.gz MHEHNXVMZWHTGV-MRXNPFEDSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481773025 1080490228 /nfs/dbraw/zinc/49/02/28/1080490228.db2.gz NIARYGYUCFPDKM-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001481844358 1080543031 /nfs/dbraw/zinc/54/30/31/1080543031.db2.gz YEAYWNUNEJVSJS-GJZGRUSLSA-N 2 0 315.889 2.345 20 30 DEEDRP CC#CC[N@H+](CCC)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001663671950 1080800174 /nfs/dbraw/zinc/80/01/74/1080800174.db2.gz HBKCWKKUDWGUIK-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001482172057 1080878646 /nfs/dbraw/zinc/87/86/46/1080878646.db2.gz MVDFAEBZUDKTBD-ZDUSSCGKSA-N 2 0 323.868 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268691318 1080936787 /nfs/dbraw/zinc/93/67/87/1080936787.db2.gz UEOFSIAGZWWYGR-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001664825154 1080966977 /nfs/dbraw/zinc/96/69/77/1080966977.db2.gz VXAKNVGDCLHAAD-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001664894392 1080977545 /nfs/dbraw/zinc/97/75/45/1080977545.db2.gz UIRBRVFFEMTLCO-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001666219099 1081134137 /nfs/dbraw/zinc/13/41/37/1081134137.db2.gz MEPZCDNPVKSTRV-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001666577466 1081164156 /nfs/dbraw/zinc/16/41/56/1081164156.db2.gz FCTFKSHXPVJMRY-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666620920 1081167995 /nfs/dbraw/zinc/16/79/95/1081167995.db2.gz UZGCHOZGOYBGIZ-RHSMWYFYSA-N 2 0 313.461 2.117 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001667211455 1081225252 /nfs/dbraw/zinc/22/52/52/1081225252.db2.gz UKONDBGAQASSGZ-ZFWWWQNUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001667028067 1081203269 /nfs/dbraw/zinc/20/32/69/1081203269.db2.gz DLQJMYBQGMCUHC-RDJZCZTQSA-N 2 0 303.450 2.302 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001667143879 1081215837 /nfs/dbraw/zinc/21/58/37/1081215837.db2.gz DKPRKVVCSIAJNW-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001667278573 1081232298 /nfs/dbraw/zinc/23/22/98/1081232298.db2.gz AQICYEPHSCRWGH-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001269738492 1081352199 /nfs/dbraw/zinc/35/21/99/1081352199.db2.gz RPBVGRFMICZFDN-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669001056 1081417717 /nfs/dbraw/zinc/41/77/17/1081417717.db2.gz KCNZOPAZKAPBKP-QLRDQERUSA-N 2 0 307.482 2.333 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001270293099 1081495569 /nfs/dbraw/zinc/49/55/69/1081495569.db2.gz GFRQJQOIUVEBDU-QZTJIDSGSA-N 2 0 315.461 2.446 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001671901621 1081547821 /nfs/dbraw/zinc/54/78/21/1081547821.db2.gz PVRDFEZZFWQIPI-SFHVURJKSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001671916197 1081549879 /nfs/dbraw/zinc/54/98/79/1081549879.db2.gz GQECUYGAMGCMPM-MJGOQNOKSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001671916195 1081550531 /nfs/dbraw/zinc/55/05/31/1081550531.db2.gz GQECUYGAMGCMPM-HKUYNNGSSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001270788083 1081712988 /nfs/dbraw/zinc/71/29/88/1081712988.db2.gz GQEANSXKSPPXOT-GOSISDBHSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001672937662 1081724389 /nfs/dbraw/zinc/72/43/89/1081724389.db2.gz MSLOHPRVEIPNMS-CRAIPNDOSA-N 2 0 313.445 2.071 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001673017027 1081731870 /nfs/dbraw/zinc/73/18/70/1081731870.db2.gz VNHGHVFMRBNGRK-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001673997153 1081822190 /nfs/dbraw/zinc/82/21/90/1081822190.db2.gz LMDSECXIBJSCPA-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001674504603 1081883210 /nfs/dbraw/zinc/88/32/10/1081883210.db2.gz FYZAZWMKCFIYRZ-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001266377029 1082007858 /nfs/dbraw/zinc/00/78/58/1082007858.db2.gz NHINCXISLBGFKE-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001271425335 1082037110 /nfs/dbraw/zinc/03/71/10/1082037110.db2.gz HQMCSQTZKLWCHO-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266459826 1082050863 /nfs/dbraw/zinc/05/08/63/1082050863.db2.gz UAGZHNPPRQYPFC-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC/C=C\CC ZINC001266468382 1082056987 /nfs/dbraw/zinc/05/69/87/1082056987.db2.gz PDTSCSMJSZLBBO-SLXDBMQSSA-N 2 0 317.477 2.021 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001271499483 1082064637 /nfs/dbraw/zinc/06/46/37/1082064637.db2.gz MUFFOABJPJMQOH-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001266494800 1082074128 /nfs/dbraw/zinc/07/41/28/1082074128.db2.gz AEAUVAGEQWSQOS-ROUUACIJSA-N 2 0 315.461 2.446 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271541763 1082077551 /nfs/dbraw/zinc/07/75/51/1082077551.db2.gz YVGPXEIRWOZUBN-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001482533672 1082169495 /nfs/dbraw/zinc/16/94/95/1082169495.db2.gz ZRFYSCWURXHDIP-DLBZAZTESA-N 2 0 307.482 2.025 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001272046679 1082332184 /nfs/dbraw/zinc/33/21/84/1082332184.db2.gz YROMLMOGFQTGOA-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266889005 1082431898 /nfs/dbraw/zinc/43/18/98/1082431898.db2.gz AOCPVEYMPIOXIT-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001266909289 1082447263 /nfs/dbraw/zinc/44/72/63/1082447263.db2.gz LQTMHLJBFCWEBF-OFLPRAFFSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001482686485 1082483962 /nfs/dbraw/zinc/48/39/62/1082483962.db2.gz WEYVUKVCPKHDJV-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP Cn1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1C#N ZINC001276608989 1083513898 /nfs/dbraw/zinc/51/38/98/1083513898.db2.gz ZHMHVKWJBMJFNF-UHFFFAOYSA-N 2 0 323.444 2.323 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001277002208 1083728365 /nfs/dbraw/zinc/72/83/65/1083728365.db2.gz XFDVUKQFQPHUKB-QBPKDAKJSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001277002209 1083728850 /nfs/dbraw/zinc/72/88/50/1083728850.db2.gz XFDVUKQFQPHUKB-VQHPVUNQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001490890095 1083812860 /nfs/dbraw/zinc/81/28/60/1083812860.db2.gz SDSXGLVTMHJNQC-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001272778263 1084033309 /nfs/dbraw/zinc/03/33/09/1084033309.db2.gz QAOKGEWHMHIMDG-QAQDUYKDSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001491561424 1084155938 /nfs/dbraw/zinc/15/59/38/1084155938.db2.gz VUUUIGQAYRDKQP-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001277835130 1084167767 /nfs/dbraw/zinc/16/77/67/1084167767.db2.gz IFXQJSSBVXNHBR-ZDUSSCGKSA-N 2 0 309.479 2.436 20 30 DEEDRP CC#CC[N@H+](CCNC(=O)CC[NH+](C)C)C1CCCCCC1 ZINC001670976681 1084178644 /nfs/dbraw/zinc/17/86/44/1084178644.db2.gz DRQUJBWAFAQECU-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C#CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CCCCCC1 ZINC001670980154 1084182315 /nfs/dbraw/zinc/18/23/15/1084182315.db2.gz JMPCVRBMEIYZQJ-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277949611 1084448320 /nfs/dbraw/zinc/44/83/20/1084448320.db2.gz YQOXITDMOYORDW-UHFFFAOYSA-N 2 0 309.454 2.089 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078700091 1084814929 /nfs/dbraw/zinc/81/49/29/1084814929.db2.gz GPCWDLLHUJEFJN-GJZGRUSLSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078695089 1084828489 /nfs/dbraw/zinc/82/84/89/1084828489.db2.gz HOMGEQPSBUDPSY-CVEARBPZSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726795 1084831938 /nfs/dbraw/zinc/83/19/38/1084831938.db2.gz XZNRLONQDIGKKJ-JKSUJKDBSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001486376483 1085248052 /nfs/dbraw/zinc/24/80/52/1085248052.db2.gz FSMNFOFGJWVEBK-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[N@H+](C)CCN(C(=O)Cn1ccnc1C(C)C)C(C)C ZINC001486375990 1085249006 /nfs/dbraw/zinc/24/90/06/1085249006.db2.gz HWVDJYZGVRJXGN-UHFFFAOYSA-N 2 0 318.465 2.199 20 30 DEEDRP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001486444233 1085315637 /nfs/dbraw/zinc/31/56/37/1085315637.db2.gz TWIXKDLLROTBQC-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961286519 1085671748 /nfs/dbraw/zinc/67/17/48/1085671748.db2.gz RTJBIXRNIYIYAJ-MSOLQXFVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC000962268019 1086044638 /nfs/dbraw/zinc/04/46/38/1086044638.db2.gz CKGNTJZNTOTZFE-XWTMOSNGSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273052803 1086091176 /nfs/dbraw/zinc/09/11/76/1086091176.db2.gz PUMZGXLQHCKVND-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCC1 ZINC001273129976 1086295950 /nfs/dbraw/zinc/29/59/50/1086295950.db2.gz WWXAIUBYAJMODY-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079697962 1088329964 /nfs/dbraw/zinc/32/99/64/1088329964.db2.gz CPFXMNZJFHRZMD-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114795238 1088530172 /nfs/dbraw/zinc/53/01/72/1088530172.db2.gz YRUGHSFPNIGAGB-VSZNYVQBSA-N 2 0 321.509 2.365 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080700112 1089148665 /nfs/dbraw/zinc/14/86/65/1089148665.db2.gz MNIWKGTZMQZUQN-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001082942019 1090109934 /nfs/dbraw/zinc/10/99/34/1090109934.db2.gz ZEPGNNBMZUHIIG-YUELXQCFSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849883 1090474991 /nfs/dbraw/zinc/47/49/91/1090474991.db2.gz YHDVLMLLQJIVPX-QZTJIDSGSA-N 2 0 313.445 2.081 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2CN(CCn3ccnc3)C[C@@H](C1)O2 ZINC001276041303 1091470626 /nfs/dbraw/zinc/47/06/26/1091470626.db2.gz VRFAMQLHUMUMTP-HDICACEKSA-N 2 0 318.465 2.015 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274997470 1091505536 /nfs/dbraw/zinc/50/55/36/1091505536.db2.gz VGCNUAJZLKLXRZ-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001411285641 1091548856 /nfs/dbraw/zinc/54/88/56/1091548856.db2.gz WBJSKZIBXBBEJD-UHFFFAOYSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001275566091 1091868563 /nfs/dbraw/zinc/86/85/63/1091868563.db2.gz LQMXYHHCWHNJBU-CYBMUJFWSA-N 2 0 309.479 2.436 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475815 1091869238 /nfs/dbraw/zinc/86/92/38/1091869238.db2.gz UAZPDXXMNADLQO-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674258 1091877339 /nfs/dbraw/zinc/87/73/39/1091877339.db2.gz SMPFBJDXFYJCFG-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673700 1091877864 /nfs/dbraw/zinc/87/78/64/1091877864.db2.gz GMWOOEDIUXNVJB-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275599708 1091901459 /nfs/dbraw/zinc/90/14/59/1091901459.db2.gz JUDMYFGESWFKAX-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948756212 1091916212 /nfs/dbraw/zinc/91/62/12/1091916212.db2.gz ZZOUXDZGBHGOKZ-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001273577775 1091933086 /nfs/dbraw/zinc/93/30/86/1091933086.db2.gz DTVDQURBNZGCAO-DLBZAZTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001275790878 1092127771 /nfs/dbraw/zinc/12/77/71/1092127771.db2.gz HWEGVNXABJXPGS-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001273848054 1092311465 /nfs/dbraw/zinc/31/14/65/1092311465.db2.gz GBSRIMSXKVOZST-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001488689266 1092688125 /nfs/dbraw/zinc/68/81/25/1092688125.db2.gz KVZZWQBIVMJJDT-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001488974779 1092858290 /nfs/dbraw/zinc/85/82/90/1092858290.db2.gz KEABZVHEXFNVHM-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001490348734 1093295181 /nfs/dbraw/zinc/29/51/81/1093295181.db2.gz HCIOFQPATAXARJ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCCC[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001253250529 1093701956 /nfs/dbraw/zinc/70/19/56/1093701956.db2.gz BHTQTKVJASSQFC-SFHVURJKSA-N 2 0 311.514 2.101 20 30 DEEDRP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1C#N ZINC001236321227 1138352287 /nfs/dbraw/zinc/35/22/87/1138352287.db2.gz GTRGXNCVKSOBBW-OKILXGFUSA-N 2 0 316.424 2.195 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318490832 1140347870 /nfs/dbraw/zinc/34/78/70/1140347870.db2.gz DKKFYMJQDBGYHO-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001319617419 1140625362 /nfs/dbraw/zinc/62/53/62/1140625362.db2.gz BLSSTUGLASPNIF-AEFFLSMTSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001319662979 1140651297 /nfs/dbraw/zinc/65/12/97/1140651297.db2.gz KZAZYYUQHJJDIT-MSOLQXFVSA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319860960 1140774375 /nfs/dbraw/zinc/77/43/75/1140774375.db2.gz KBRSUGVAWYERHL-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001319921460 1140803632 /nfs/dbraw/zinc/80/36/32/1140803632.db2.gz HKGOCEVEKIQSIU-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246047026 1140853098 /nfs/dbraw/zinc/85/30/98/1140853098.db2.gz BYIAZBDQJUEEFJ-MSOLQXFVSA-N 2 0 311.514 2.205 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278461219 1141031043 /nfs/dbraw/zinc/03/10/43/1141031043.db2.gz VJTPDGCGUXHCIR-LZLYRXPVSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCOC[C@H]1CCC[C@@]12CN([C@@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246772276 1141055027 /nfs/dbraw/zinc/05/50/27/1141055027.db2.gz ZYIANWFSNXNCFU-BRSBDYLESA-N 2 0 308.466 2.201 20 30 DEEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001321906887 1141363618 /nfs/dbraw/zinc/36/36/18/1141363618.db2.gz KUNBCUUUWYHVAU-ZDUSSCGKSA-N 2 0 300.406 2.317 20 30 DEEDRP CC#CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001323722247 1141880705 /nfs/dbraw/zinc/88/07/05/1141880705.db2.gz NQFOAPKYKVOYRI-UHFFFAOYSA-N 2 0 321.509 2.491 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001278637082 1142510236 /nfs/dbraw/zinc/51/02/36/1142510236.db2.gz UAXPGUFYPDKFQX-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252471818 1142725781 /nfs/dbraw/zinc/72/57/81/1142725781.db2.gz IXZUWWOSMRRFRO-GOSISDBHSA-N 2 0 310.482 2.279 20 30 DEEDRP C=C[C@@](C)(O)C[NH2+]C1CCN(Cc2ccc(OC)cc2)CC1 ZINC001252570850 1142768141 /nfs/dbraw/zinc/76/81/41/1142768141.db2.gz BYSPHQJCIUEFGA-GOSISDBHSA-N 2 0 304.434 2.186 20 30 DEEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1OC ZINC001252625663 1142798021 /nfs/dbraw/zinc/79/80/21/1142798021.db2.gz XSKVYHLDKYJUCA-OTWHNJEPSA-N 2 0 318.461 2.193 20 30 DEEDRP CC(C)[N@H+](C)Cc1nn([C@H]2CC[C@H](C#N)C2)c2c1CC[NH2+]C2 ZINC001254657662 1143299838 /nfs/dbraw/zinc/29/98/38/1143299838.db2.gz FAIRSBMEORORCP-KBPBESRZSA-N 2 0 301.438 2.234 20 30 DEEDRP N#Cc1cc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)ccc1F ZINC001256686237 1143862253 /nfs/dbraw/zinc/86/22/53/1143862253.db2.gz MXCRYMNXTBHQII-UHFFFAOYSA-N 2 0 317.408 2.430 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279047327 1143954159 /nfs/dbraw/zinc/95/41/59/1143954159.db2.gz WFSDUQLTRQRSPI-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001263238849 1144362788 /nfs/dbraw/zinc/36/27/88/1144362788.db2.gz VKVBKLBSIQTFJM-HNNXBMFYSA-N 2 0 313.486 2.031 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001263865573 1144415815 /nfs/dbraw/zinc/41/58/15/1144415815.db2.gz NFSRDIUDAZBNCG-ULQDDVLXSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001263957473 1144432555 /nfs/dbraw/zinc/43/25/55/1144432555.db2.gz DXMPKCOUUWMERT-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001264055575 1144450701 /nfs/dbraw/zinc/45/07/01/1144450701.db2.gz FSIQAGTWGZFZTG-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264120035 1144474327 /nfs/dbraw/zinc/47/43/27/1144474327.db2.gz BETIVIOESXTBRV-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265508792 1144708217 /nfs/dbraw/zinc/70/82/17/1144708217.db2.gz LPTPAGOMPFABNM-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523912 1144708860 /nfs/dbraw/zinc/70/88/60/1144708860.db2.gz QVRUGVJZAYKHGJ-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265629890 1144719544 /nfs/dbraw/zinc/71/95/44/1144719544.db2.gz GYFIILSQPWYNKR-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001265782446 1144740958 /nfs/dbraw/zinc/74/09/58/1144740958.db2.gz XYSZFLVBCCZQPP-ZDUSSCGKSA-N 2 0 309.479 2.484 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279567203 1144824840 /nfs/dbraw/zinc/82/48/40/1144824840.db2.gz WMLZZGJEIBRZHA-IKGGRYGDSA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001281038029 1144869673 /nfs/dbraw/zinc/86/96/73/1144869673.db2.gz XIMJMCPWDMXWCJ-UHFFFAOYSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281890725 1144918447 /nfs/dbraw/zinc/91/84/47/1144918447.db2.gz ZODXPJMUPSEECC-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001281890227 1144918547 /nfs/dbraw/zinc/91/85/47/1144918547.db2.gz GXCSWNLWLWSKGM-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001282619313 1145098582 /nfs/dbraw/zinc/09/85/82/1145098582.db2.gz PVHXNOPCCLKKTP-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001282727356 1145147997 /nfs/dbraw/zinc/14/79/97/1145147997.db2.gz ZCGDYIXBUDUKRT-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001284131549 1145805544 /nfs/dbraw/zinc/80/55/44/1145805544.db2.gz QSHLQVVKLAJJSI-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001284587824 1145875151 /nfs/dbraw/zinc/87/51/51/1145875151.db2.gz BXUQZQKNFOFHEN-IRXDYDNUSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001316668998 1146916354 /nfs/dbraw/zinc/91/63/54/1146916354.db2.gz KVEFOGKXUFRKHH-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001491857457 1146922467 /nfs/dbraw/zinc/92/24/67/1146922467.db2.gz SLMUPSGFIUPJEA-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCCC)CC1 ZINC001317513194 1147542076 /nfs/dbraw/zinc/54/20/76/1147542076.db2.gz ILNYGVDLYZNVAZ-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001316804322 1147602954 /nfs/dbraw/zinc/60/29/54/1147602954.db2.gz GEKQOMLFYUCWMY-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001316919982 1147631507 /nfs/dbraw/zinc/63/15/07/1147631507.db2.gz HPAQETQAEHEKAW-UHFFFAOYSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001316935662 1147634717 /nfs/dbraw/zinc/63/47/17/1147634717.db2.gz NTDVAMHJWRJHJK-QGZVFWFLSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001317006261 1147647602 /nfs/dbraw/zinc/64/76/02/1147647602.db2.gz JWHICMXMCOUSHR-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001317018038 1147648738 /nfs/dbraw/zinc/64/87/38/1147648738.db2.gz XTGODFKSGGIPQO-IRXDYDNUSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317046039 1147652588 /nfs/dbraw/zinc/65/25/88/1147652588.db2.gz UJTQLWSJYUUYFG-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317172795 1147670450 /nfs/dbraw/zinc/67/04/50/1147670450.db2.gz FBOPQWPGBJOHCZ-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317363900 1147696483 /nfs/dbraw/zinc/69/64/83/1147696483.db2.gz QELSLKJRQJDSQT-MSOLQXFVSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317534308 1147721761 /nfs/dbraw/zinc/72/17/61/1147721761.db2.gz ARVCCRJOMDZVJN-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001317560047 1147725207 /nfs/dbraw/zinc/72/52/07/1147725207.db2.gz SLCAOIDRBIACEP-APWZRJJASA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001318371188 1147817414 /nfs/dbraw/zinc/81/74/14/1147817414.db2.gz OAOLZWYDUBRLKG-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001325576076 1147953588 /nfs/dbraw/zinc/95/35/88/1147953588.db2.gz NYPMRKMGZXKJME-MAUKXSAKSA-N 2 0 315.461 2.232 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001325778155 1147998207 /nfs/dbraw/zinc/99/82/07/1147998207.db2.gz DFOFJTUOYPTRLS-HDICACEKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2ccnc2)CC1 ZINC001326529287 1148130968 /nfs/dbraw/zinc/13/09/68/1148130968.db2.gz GWERMBKWHSLMOG-WKILWMFISA-N 2 0 304.438 2.114 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001326602641 1148159439 /nfs/dbraw/zinc/15/94/39/1148159439.db2.gz FEYQBCKFZVGXTM-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)CN1CCC[C@@](C)(CNC(=O)Cn2cncc2C)C1 ZINC001368223473 1148340263 /nfs/dbraw/zinc/34/02/63/1148340263.db2.gz GIDMVDBBWBTSSA-INIZCTEOSA-N 2 0 324.856 2.162 20 30 DEEDRP COCCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000066244558 354705842 /nfs/dbraw/zinc/70/58/42/354705842.db2.gz LOHUBGLXFKMNDE-KRWDZBQOSA-N 2 0 318.465 2.010 20 30 DEEDRP C[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000593321950 358054424 /nfs/dbraw/zinc/05/44/24/358054424.db2.gz JZTLPHOFXCNMOQ-HNAYVOBHSA-N 2 0 312.461 2.253 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000602593569 360448042 /nfs/dbraw/zinc/44/80/42/360448042.db2.gz JWBWILXRNAEBBQ-HNNXBMFYSA-N 2 0 316.449 2.007 20 30 DEEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(C(=O)OCC)[nH]2)CC1 ZINC000602537650 360422593 /nfs/dbraw/zinc/42/25/93/360422593.db2.gz BBKUBFHMAWAADT-UHFFFAOYSA-N 2 0 305.422 2.322 20 30 DEEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000271908217 209315452 /nfs/dbraw/zinc/31/54/52/209315452.db2.gz XFWZYIVHFSQCRH-YJBOKZPZSA-N 2 0 301.434 2.446 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000348936720 146331288 /nfs/dbraw/zinc/33/12/88/146331288.db2.gz UANRRYSTQYDMKZ-UHFFFAOYSA-N 2 0 308.495 2.325 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000112914938 401761869 /nfs/dbraw/zinc/76/18/69/401761869.db2.gz UHSQEGUEJLLVML-SFHVURJKSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000079205041 401871099 /nfs/dbraw/zinc/87/10/99/401871099.db2.gz UKDMKWGRIIIBGW-KRWDZBQOSA-N 2 0 322.497 2.078 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115823648 401837562 /nfs/dbraw/zinc/83/75/62/401837562.db2.gz YDCNZGZCTCFQMN-INIZCTEOSA-N 2 0 322.497 2.010 20 30 DEEDRP CC1CCN(C(=[NH2+])NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000122472340 402079690 /nfs/dbraw/zinc/07/96/90/402079690.db2.gz BUSURQJETCDZQC-UHFFFAOYSA-N 2 0 314.477 2.481 20 30 DEEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000185896084 402386961 /nfs/dbraw/zinc/38/69/61/402386961.db2.gz NEIVTSZYCVXKRZ-SNRMKQJTSA-N 2 0 313.445 2.425 20 30 DEEDRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278871343 402880307 /nfs/dbraw/zinc/88/03/07/402880307.db2.gz WZGWJLDSTKRTDA-APWZRJJASA-N 2 0 314.477 2.482 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277416765 403215563 /nfs/dbraw/zinc/21/55/63/403215563.db2.gz FAVZKQUUAPDECH-INIZCTEOSA-N 2 0 316.449 2.116 20 30 DEEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343581816 403649275 /nfs/dbraw/zinc/64/92/75/403649275.db2.gz PBIKMDOLCJRPPN-INIZCTEOSA-N 2 0 322.497 2.048 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070482 403750071 /nfs/dbraw/zinc/75/00/71/403750071.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 2 0 313.489 2.442 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000361768054 403853573 /nfs/dbraw/zinc/85/35/73/403853573.db2.gz YEQKLRWTRKHEKQ-RDJZCZTQSA-N 2 0 322.497 2.151 20 30 DEEDRP [NH2+]=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000290455506 404176955 /nfs/dbraw/zinc/17/69/55/404176955.db2.gz DCOBQVVOBDOSMN-MRXNPFEDSA-N 2 0 300.450 2.355 20 30 DEEDRP C#Cc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000290532636 404209746 /nfs/dbraw/zinc/20/97/46/404209746.db2.gz YFWBGPJMAQHNII-UHFFFAOYSA-N 2 0 309.413 2.293 20 30 DEEDRP CNC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329758037 404441678 /nfs/dbraw/zinc/44/16/78/404441678.db2.gz NIVKEGFBWKZEOD-CQSZACIVSA-N 2 0 313.405 2.374 20 30 DEEDRP C=CCC[C@H](CC)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414201126 404547191 /nfs/dbraw/zinc/54/71/91/404547191.db2.gz SNHGPKCMXQTIQC-KRWDZBQOSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CC[C@H]1[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCC1(C)C ZINC000414760259 404726229 /nfs/dbraw/zinc/72/62/29/404726229.db2.gz QDGAUTAKXWCVIY-HZPDHXFCSA-N 2 0 307.482 2.250 20 30 DEEDRP C[NH+](C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424171048 405027994 /nfs/dbraw/zinc/02/79/94/405027994.db2.gz IRQVPSDHTXWELW-GJZGRUSLSA-N 2 0 322.840 2.080 20 30 DEEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531841719 406014012 /nfs/dbraw/zinc/01/40/12/406014012.db2.gz CLOYWYBCMMJREK-INIZCTEOSA-N 2 0 322.497 2.047 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000517324678 406125458 /nfs/dbraw/zinc/12/54/58/406125458.db2.gz XUFDRRSJESQKCO-MRXNPFEDSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CCOc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1Cl ZINC000647493035 407007026 /nfs/dbraw/zinc/00/70/26/407007026.db2.gz QIMSRQJRIYLQIP-UHFFFAOYSA-N 2 0 323.868 2.242 20 30 DEEDRP [NH2+]=C(NCC[NH+]1CCCC1)NCc1cccc(C(F)(F)F)c1 ZINC000266999497 225341807 /nfs/dbraw/zinc/34/18/07/225341807.db2.gz ZMMXBIQTJSSGPA-UHFFFAOYSA-N 2 0 314.355 2.206 20 30 DEEDRP C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378310749 227212985 /nfs/dbraw/zinc/21/29/85/227212985.db2.gz CXDNWILBERIMGZ-SJORKVTESA-N 2 0 306.498 2.274 20 30 DEEDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422984961 230304814 /nfs/dbraw/zinc/30/48/14/230304814.db2.gz BSZQHUOHLQVDNV-XKQJLSEDSA-N 2 0 319.474 2.133 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cccc(C#N)c2)CC1 ZINC000533583287 269996748 /nfs/dbraw/zinc/99/67/48/269996748.db2.gz DNRBGZNBVAUUEZ-UHFFFAOYSA-N 2 0 307.401 2.317 20 30 DEEDRP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000665392980 425561727 /nfs/dbraw/zinc/56/17/27/425561727.db2.gz KOMUOEBNVQSAQC-SJORKVTESA-N 2 0 324.513 2.256 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662683902 425712169 /nfs/dbraw/zinc/71/21/69/425712169.db2.gz SRIALKCFTIATET-SFHVURJKSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CCC[NH2+]1 ZINC000662702095 425717160 /nfs/dbraw/zinc/71/71/60/425717160.db2.gz WLKHZHDBEMBGTQ-FUHWJXTLSA-N 2 0 307.482 2.456 20 30 DEEDRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278639315 280188600 /nfs/dbraw/zinc/18/86/00/280188600.db2.gz HKHHXJIJMQKKKR-CRAIPNDOSA-N 2 0 300.450 2.235 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001479991239 1151274671 /nfs/dbraw/zinc/27/46/71/1151274671.db2.gz CYSBZMXFHHZUMZ-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP CC[N@@H+]1CCC[C@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC001349912146 1151306148 /nfs/dbraw/zinc/30/61/48/1151306148.db2.gz UPGQGFSOWFYYHG-QGZVFWFLSA-N 2 0 302.466 2.426 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001329759960 1148988917 /nfs/dbraw/zinc/98/89/17/1148988917.db2.gz FAFDPOWFDSJONN-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001329935714 1149019014 /nfs/dbraw/zinc/01/90/14/1149019014.db2.gz GKZAGPPYTYTMER-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCCCCC3)cc2)N1 ZINC000262659753 533991138 /nfs/dbraw/zinc/99/11/38/533991138.db2.gz MPOGPYRVMLTNHE-HNNXBMFYSA-N 2 0 300.450 2.500 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2cccc(C[NH+]3CCC(C)CC3)c2)N1 ZINC000262665717 533989854 /nfs/dbraw/zinc/98/98/54/533989854.db2.gz OODVBBYWPKTKHH-HNNXBMFYSA-N 2 0 300.450 2.356 20 30 DEEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC1=[NH+]CCN1C ZINC000262676682 534162123 /nfs/dbraw/zinc/16/21/23/534162123.db2.gz UFSYVSCHQXIXDJ-OAHLLOKOSA-N 2 0 300.450 2.452 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001378863502 1152471999 /nfs/dbraw/zinc/47/19/99/1152471999.db2.gz XMLKPRBISSIZHQ-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C[NH+]=C(NCC1CCSCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262750654 526352772 /nfs/dbraw/zinc/35/27/72/526352772.db2.gz BVYLNIDJPBFGJY-MRXNPFEDSA-N 2 0 324.538 2.123 20 30 DEEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291011 527721969 /nfs/dbraw/zinc/72/19/69/527721969.db2.gz PYMJXMTYPRMYED-QGZVFWFLSA-N 2 0 302.466 2.459 20 30 DEEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](CC)C1)N1CCc2ccccc21 ZINC000263245628 528814251 /nfs/dbraw/zinc/81/42/51/528814251.db2.gz MTAWWFIIWFEWKX-OAHLLOKOSA-N 2 0 300.450 2.356 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000449749700 535674575 /nfs/dbraw/zinc/67/45/75/535674575.db2.gz GSOFUXBBHIUDBU-UHFFFAOYSA-N 2 0 300.450 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001026301635 625279671 /nfs/dbraw/zinc/27/96/71/625279671.db2.gz BHSLTQZJVMDYHS-YESZJQIVSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023466425 625282774 /nfs/dbraw/zinc/28/27/74/625282774.db2.gz CQMKBNQVRPFFBD-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP 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 625352179 /nfs/dbraw/zinc/35/21/79/625352179.db2.gz HCPPSCRZXQHEIA-YESZJQIVSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947311115 625447147 /nfs/dbraw/zinc/44/71/47/625447147.db2.gz YGFKSEPNIGYPNI-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475851 625467454 /nfs/dbraw/zinc/46/74/54/625467454.db2.gz VLLXPIUPOXOYCR-NVXWUHKLSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000972701067 625469453 /nfs/dbraw/zinc/46/94/53/625469453.db2.gz SHKLFFROWAXICQ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001026590220 625547442 /nfs/dbraw/zinc/54/74/42/625547442.db2.gz JDYPQFZXYRSVNI-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114318 622566853 /nfs/dbraw/zinc/56/68/53/622566853.db2.gz GKODFIXNDIDYIK-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000969692369 622886659 /nfs/dbraw/zinc/88/66/59/622886659.db2.gz IABONVHVJZIGSO-WBVHZDCISA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681675 623951855 /nfs/dbraw/zinc/95/18/55/623951855.db2.gz IOHPJUUFHDBOCH-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000891520556 624467259 /nfs/dbraw/zinc/46/72/59/624467259.db2.gz NGPDCWLKHQNNAI-UHFFFAOYSA-N 2 0 322.497 2.330 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024813328 625065986 /nfs/dbraw/zinc/06/59/86/625065986.db2.gz ZGCGQEPYDFCBEJ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP 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 625784996 /nfs/dbraw/zinc/78/49/96/625784996.db2.gz ORZYARZXYADDEM-ZBRFXRBCSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024477155 625803555 /nfs/dbraw/zinc/80/35/55/625803555.db2.gz KAGYKSVGKNXCNE-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001024647147 625949005 /nfs/dbraw/zinc/94/90/05/625949005.db2.gz JQMJFYLZHOVQTB-LSDHHAIUSA-N 2 0 316.449 2.376 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999203555 634515274 /nfs/dbraw/zinc/51/52/74/634515274.db2.gz BYFRNFZEWPQOEK-SOUVJXGZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794848 634678217 /nfs/dbraw/zinc/67/82/17/634678217.db2.gz WJNZPRABNHYBDW-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC000995999716 633158714 /nfs/dbraw/zinc/15/87/14/633158714.db2.gz ZLKYHPJSGVVPQU-HZPDHXFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1(C)C ZINC000996103991 633185774 /nfs/dbraw/zinc/18/57/74/633185774.db2.gz ZFTAXDDYCCSBCB-IAGOWNOFSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677492 633229680 /nfs/dbraw/zinc/22/96/80/633229680.db2.gz DXJQONYGXDYMDY-IAGOWNOFSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996310720 633235106 /nfs/dbraw/zinc/23/51/06/633235106.db2.gz OUPIJJJCGRQRPC-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996659682 633332131 /nfs/dbraw/zinc/33/21/31/633332131.db2.gz PXYPEDBALREWID-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC000996672353 633345520 /nfs/dbraw/zinc/34/55/20/633345520.db2.gz FRFJCRCTKMGPRY-CVEARBPZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996715930 633366472 /nfs/dbraw/zinc/36/64/72/633366472.db2.gz GWDAWWMEVIDLQW-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000996765277 633396793 /nfs/dbraw/zinc/39/67/93/633396793.db2.gz AXCLSCWDBAREIS-UHFFFAOYSA-N 2 0 318.808 2.281 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997514532 633819548 /nfs/dbraw/zinc/81/95/48/633819548.db2.gz GQWXWAWIGPAYFG-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998105228 634142782 /nfs/dbraw/zinc/14/27/82/634142782.db2.gz XSSORDJFLQQROG-BZSNNMDCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000836918864 650145964 /nfs/dbraw/zinc/14/59/64/650145964.db2.gz BXEAMWYPVOZZPD-MRXNPFEDSA-N 2 0 315.461 2.085 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001027929283 634991130 /nfs/dbraw/zinc/99/11/30/634991130.db2.gz DCOXINGHTQFHJA-CVEARBPZSA-N 2 0 316.449 2.307 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486915 635018523 /nfs/dbraw/zinc/01/85/23/635018523.db2.gz XAJUTMJOERDYON-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001000334861 635145486 /nfs/dbraw/zinc/14/54/86/635145486.db2.gz IBAZFMHCXMIYJN-KBPBESRZSA-N 2 0 310.829 2.167 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001000839481 635318281 /nfs/dbraw/zinc/31/82/81/635318281.db2.gz FETRNRXWHRRQTL-ZWKOTPCHSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001001010393 635378312 /nfs/dbraw/zinc/37/83/12/635378312.db2.gz TUYVVFHDOPBMHJ-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981311797 635431337 /nfs/dbraw/zinc/43/13/37/635431337.db2.gz PEKNPPUVYBGCID-GJZGRUSLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982123 635788408 /nfs/dbraw/zinc/78/84/08/635788408.db2.gz LTZAVBPWBFGTRF-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002791976 635798529 /nfs/dbraw/zinc/79/85/29/635798529.db2.gz LANRFJNBVFPHAO-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003142998 635915273 /nfs/dbraw/zinc/91/52/73/635915273.db2.gz FVMHNXHHEUDDFF-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000922273985 636055264 /nfs/dbraw/zinc/05/52/64/636055264.db2.gz PWQOWWJLVHADSS-UHFFFAOYSA-N 2 0 314.477 2.244 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028754361 636700595 /nfs/dbraw/zinc/70/05/95/636700595.db2.gz CXHNUZBLERIWAO-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187055743 636907510 /nfs/dbraw/zinc/90/75/10/636907510.db2.gz ARVLTQGAXWXFRV-KRWDZBQOSA-N 2 0 300.450 2.377 20 30 DEEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC000896650616 638624153 /nfs/dbraw/zinc/62/41/53/638624153.db2.gz JJWIEXJQTIIUDR-QGZVFWFLSA-N 2 0 313.449 2.171 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985426191 639393379 /nfs/dbraw/zinc/39/33/79/639393379.db2.gz MQWRFEDXKYPYOI-QGZVFWFLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000985479732 639455162 /nfs/dbraw/zinc/45/51/62/639455162.db2.gz DOJBWDZHIOJIQY-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000263182242 640103270 /nfs/dbraw/zinc/10/32/70/640103270.db2.gz UJNPPZQWUMWUKG-HNNXBMFYSA-N 2 0 316.449 2.289 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000989190642 640748850 /nfs/dbraw/zinc/74/88/50/640748850.db2.gz WTSYCVUJQCRVJC-JSGCOSHPSA-N 2 0 318.808 2.279 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000900014017 642237223 /nfs/dbraw/zinc/23/72/23/642237223.db2.gz VCRSPNMVADGHKC-SFHVURJKSA-N 2 0 317.477 2.476 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000900014462 642237345 /nfs/dbraw/zinc/23/73/45/642237345.db2.gz XTALJKZQHOCJBT-INIZCTEOSA-N 2 0 307.413 2.053 20 30 DEEDRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902730422 643123399 /nfs/dbraw/zinc/12/33/99/643123399.db2.gz RAXPLGIEZXMBRE-GOSISDBHSA-N 2 0 300.450 2.236 20 30 DEEDRP C[C@@H]1[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1C ZINC000903301385 643310539 /nfs/dbraw/zinc/31/05/39/643310539.db2.gz QGYASKCOCPBQGU-DNVCBOLYSA-N 2 0 312.461 2.205 20 30 DEEDRP N#Cc1ccc(C2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000903824227 643473214 /nfs/dbraw/zinc/47/32/14/643473214.db2.gz NYZHFSRUQHQLKE-SFHVURJKSA-N 2 0 311.429 2.116 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000911637408 645758922 /nfs/dbraw/zinc/75/89/22/645758922.db2.gz WMQNZPLJWNRNPT-GOSISDBHSA-N 2 0 315.461 2.405 20 30 DEEDRP C#CC[N@@H+](C)CCCNc1cc[nH+]c2cc(OC)c(OC)cc12 ZINC000840306263 646828718 /nfs/dbraw/zinc/82/87/18/646828718.db2.gz CJVNVITXGNHTPN-UHFFFAOYSA-N 2 0 313.401 2.041 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992145247 646871721 /nfs/dbraw/zinc/87/17/21/646871721.db2.gz PRRIQBWLCPGVQU-FUHWJXTLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992412053 646979969 /nfs/dbraw/zinc/97/99/69/646979969.db2.gz QQIQWLRXKHISLW-VQIMIIECSA-N 2 0 317.477 2.162 20 30 DEEDRP C=CCC(F)(F)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000815206144 646986874 /nfs/dbraw/zinc/98/68/74/646986874.db2.gz IJHSWZULEBEELN-AWEZNQCLSA-N 2 0 317.424 2.072 20 30 DEEDRP C[C@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000818971115 647553744 /nfs/dbraw/zinc/55/37/44/647553744.db2.gz YEWZRLOAXDGPRZ-QAPCUYQASA-N 2 0 301.434 2.303 20 30 DEEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179636279 648406127 /nfs/dbraw/zinc/40/61/27/648406127.db2.gz IEVNRYJDJQJNOE-QGZVFWFLSA-N 2 0 300.450 2.420 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943283 648974948 /nfs/dbraw/zinc/97/49/48/648974948.db2.gz KRWSYWCPKYYNFD-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](C)C1 ZINC000942053855 649145084 /nfs/dbraw/zinc/14/50/84/649145084.db2.gz UYRUQAIAERJBPZ-YOEHRIQHSA-N 2 0 324.428 2.106 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942206470 649184759 /nfs/dbraw/zinc/18/47/59/649184759.db2.gz ZWTNDAGFNLSCED-RDTXWAMCSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517944 649231627 /nfs/dbraw/zinc/23/16/27/649231627.db2.gz JMAUFTUPSNAWNV-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755482 649422353 /nfs/dbraw/zinc/42/23/53/649422353.db2.gz FERHTXPVXGNSEY-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000105459419 651094321 /nfs/dbraw/zinc/09/43/21/651094321.db2.gz XYDCVYDDNBKSEO-UHFFFAOYSA-N 2 0 300.450 2.468 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000846129748 651309833 /nfs/dbraw/zinc/30/98/33/651309833.db2.gz CXDOCOOLSFPXMR-HNNXBMFYSA-N 2 0 323.868 2.219 20 30 DEEDRP C[NH+]=C(NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000849026429 651587172 /nfs/dbraw/zinc/58/71/72/651587172.db2.gz ZKHWFHUPCKMIDT-SFHVURJKSA-N 2 0 300.450 2.226 20 30 DEEDRP C#CCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603667 651956934 /nfs/dbraw/zinc/95/69/34/651956934.db2.gz OAVHIGOMMIBFRP-SFHVURJKSA-N 2 0 301.434 2.398 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(F)c1 ZINC000304749433 685259203 /nfs/dbraw/zinc/25/92/03/685259203.db2.gz HSHKESIADJCPEO-MRXNPFEDSA-N 2 0 320.456 2.492 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)cc1 ZINC000304750800 685259060 /nfs/dbraw/zinc/25/90/60/685259060.db2.gz IRNVJURQUPHSGK-UHFFFAOYSA-N 2 0 304.438 2.086 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC1CCCCCC1 ZINC000304751265 685259646 /nfs/dbraw/zinc/25/96/46/685259646.db2.gz JBVCVMSAVXHSGU-OAHLLOKOSA-N 2 0 310.486 2.114 20 30 DEEDRP C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000104162987 684058213 /nfs/dbraw/zinc/05/82/13/684058213.db2.gz AHRPTTXMCDFUHG-OAHLLOKOSA-N 2 0 318.465 2.174 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187614 693875138 /nfs/dbraw/zinc/87/51/38/693875138.db2.gz WFDVFKBIDWRELY-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C[NH+]=C(NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1ccco1 ZINC000303397144 685232308 /nfs/dbraw/zinc/23/23/08/685232308.db2.gz IMIZJTAJQIBBJJ-HUUCEWRRSA-N 2 0 306.454 2.313 20 30 DEEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])N2CCSCC2)cc1 ZINC000303779366 685234315 /nfs/dbraw/zinc/23/43/15/685234315.db2.gz KKOUEAPBPABGSB-UHFFFAOYSA-N 2 0 320.506 2.392 20 30 DEEDRP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303880298 685237298 /nfs/dbraw/zinc/23/72/98/685237298.db2.gz HCJZYORYYZUHIW-CVEARBPZSA-N 2 0 302.466 2.254 20 30 DEEDRP [NH2+]=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC1CCC1 ZINC000303881653 685237333 /nfs/dbraw/zinc/23/73/33/685237333.db2.gz HTTKXGGPNHMNOY-UHFFFAOYSA-N 2 0 300.450 2.139 20 30 DEEDRP C[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000303905924 685239961 /nfs/dbraw/zinc/23/99/61/685239961.db2.gz ZREBQUODLZPMPI-MRXNPFEDSA-N 2 0 302.466 2.426 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000303978275 685240847 /nfs/dbraw/zinc/24/08/47/685240847.db2.gz MEICYODGGCFYSA-IVMMDQJWSA-N 2 0 304.413 2.070 20 30 DEEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C(C)C ZINC000303986931 685242160 /nfs/dbraw/zinc/24/21/60/685242160.db2.gz UZELJFBZQBDULH-UHFFFAOYSA-N 2 0 320.437 2.305 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001015978274 687489133 /nfs/dbraw/zinc/48/91/33/687489133.db2.gz YNVNLJIMDJYUJC-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016542545 687648663 /nfs/dbraw/zinc/64/86/63/687648663.db2.gz IVYBNTYUELXYJJ-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016689430 687683584 /nfs/dbraw/zinc/68/35/84/687683584.db2.gz ZXHYRHRNGJUCPE-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016985947 687749538 /nfs/dbraw/zinc/74/95/38/687749538.db2.gz NDQORFFLEMPQRX-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001017553598 687910734 /nfs/dbraw/zinc/91/07/34/687910734.db2.gz NWIMFFLUMHMZCH-BBWFWOEESA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001375745489 1158860106 /nfs/dbraw/zinc/86/01/06/1158860106.db2.gz YPVXSBFTKGLCOT-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033354054 689474440 /nfs/dbraw/zinc/47/44/40/689474440.db2.gz MJWMYKBQAIIFTP-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033573016 689547829 /nfs/dbraw/zinc/54/78/29/689547829.db2.gz CSSOWXZPBMFUSE-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033686170 689582929 /nfs/dbraw/zinc/58/29/29/689582929.db2.gz SUSNRBTUNYVUAY-QGZVFWFLSA-N 2 0 301.434 2.081 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685505 689583531 /nfs/dbraw/zinc/58/35/31/689583531.db2.gz UQNDVZPQLFAPEP-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855295 689639253 /nfs/dbraw/zinc/63/92/53/689639253.db2.gz JHMGWUHIDYUBFW-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855058 689639609 /nfs/dbraw/zinc/63/96/09/689639609.db2.gz GNMJLZKCFNNXRU-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033878431 689647989 /nfs/dbraw/zinc/64/79/89/689647989.db2.gz KULOYWPSTVUIJQ-QGZVFWFLSA-N 2 0 324.428 2.202 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285337 689794629 /nfs/dbraw/zinc/79/46/29/689794629.db2.gz BTAJXABKCKQPJD-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034439264 689851345 /nfs/dbraw/zinc/85/13/45/689851345.db2.gz SSRAQDNSZFCMRK-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001034642549 689917218 /nfs/dbraw/zinc/91/72/18/689917218.db2.gz HCCCGNFFDQRSKP-QBPKDAKJSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000876736226 689921518 /nfs/dbraw/zinc/92/15/18/689921518.db2.gz JXHUSDRIBNAKRW-OAHLLOKOSA-N 2 0 309.841 2.224 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000876778979 689935216 /nfs/dbraw/zinc/93/52/16/689935216.db2.gz UBDMHHHTKFYENS-GDBMZVCRSA-N 2 0 323.868 2.483 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000876778980 689935241 /nfs/dbraw/zinc/93/52/41/689935241.db2.gz UBDMHHHTKFYENS-GOEBONIOSA-N 2 0 323.868 2.483 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877120435 690023278 /nfs/dbraw/zinc/02/32/78/690023278.db2.gz ROIMEEWMYHTDAW-HOTGVXAUSA-N 2 0 321.852 2.095 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035837521 690189276 /nfs/dbraw/zinc/18/92/76/690189276.db2.gz XQDMDGPECSOKGX-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001036027447 690238900 /nfs/dbraw/zinc/23/89/00/690238900.db2.gz BGFSJSRNSGZHIV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001036202010 690289057 /nfs/dbraw/zinc/28/90/57/690289057.db2.gz FRISZMOBKCKDMG-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000878118281 690315542 /nfs/dbraw/zinc/31/55/42/690315542.db2.gz KGTMSIGPQJPZJG-HNNXBMFYSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773140 690468886 /nfs/dbraw/zinc/46/88/86/690468886.db2.gz ITAPTODDNFQPSB-RHSMWYFYSA-N 2 0 310.401 2.057 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474364 691114984 /nfs/dbraw/zinc/11/49/84/691114984.db2.gz DEYJNDVAZVJHLZ-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040262761 691222030 /nfs/dbraw/zinc/22/20/30/691222030.db2.gz UYDJJMLCOKSPOR-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040283002 691225255 /nfs/dbraw/zinc/22/52/55/691225255.db2.gz YZDHJVISYLIHBK-GOSISDBHSA-N 2 0 317.477 2.115 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040913575 691297917 /nfs/dbraw/zinc/29/79/17/691297917.db2.gz AUSSJZCDUIPXMW-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276212 691354580 /nfs/dbraw/zinc/35/45/80/691354580.db2.gz ISXOGSOCKGTWPN-HKUYNNGSSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433589 691374885 /nfs/dbraw/zinc/37/48/85/691374885.db2.gz ZVVOXVOJKWZUPW-IEBWSBKVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725279 691418086 /nfs/dbraw/zinc/41/80/86/691418086.db2.gz MUUYKZVFMLQFTA-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000883171294 691447358 /nfs/dbraw/zinc/44/73/58/691447358.db2.gz URXHFYUXFZUEEX-QZTJIDSGSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCCO1 ZINC000883172822 691447965 /nfs/dbraw/zinc/44/79/65/691447965.db2.gz USVJSNHOLGKREK-QZTJIDSGSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000883186598 691452158 /nfs/dbraw/zinc/45/21/58/691452158.db2.gz VHZSQMIKDHNJIB-QYZOEREBSA-N 2 0 323.525 2.363 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132804 691517001 /nfs/dbraw/zinc/51/70/01/691517001.db2.gz FSBNTFCVHGZIKT-WMLDXEAASA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001044183134 691784625 /nfs/dbraw/zinc/78/46/25/691784625.db2.gz NJWWBJHZORKAHA-JKSUJKDBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001044656296 691866880 /nfs/dbraw/zinc/86/68/80/691866880.db2.gz GWQZDGMSFCXHFS-ZFWWWQNUSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001045439925 691981188 /nfs/dbraw/zinc/98/11/88/691981188.db2.gz CGBISBVTORUQRP-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531684 691993631 /nfs/dbraw/zinc/99/36/31/691993631.db2.gz NVIUFJJABKXVOG-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921419 692051869 /nfs/dbraw/zinc/05/18/69/692051869.db2.gz LEKRBPCOIFEONM-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945001 692058713 /nfs/dbraw/zinc/05/87/13/692058713.db2.gz LTMPZCGGGNRMOA-PKOBYXMFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046368638 692167591 /nfs/dbraw/zinc/16/75/91/692167591.db2.gz FTVJDTYWSIOYRE-AEFFLSMTSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049553361 692919145 /nfs/dbraw/zinc/91/91/45/692919145.db2.gz UFPZATAGAPWOJI-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719847 692974431 /nfs/dbraw/zinc/97/44/31/692974431.db2.gz UIOMYZFTRCGXMT-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049841646 693018039 /nfs/dbraw/zinc/01/80/39/693018039.db2.gz SYKYFNYNCHFMGE-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049898043 693040751 /nfs/dbraw/zinc/04/07/51/693040751.db2.gz WKXDIHXWFWGHFR-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050067637 693098572 /nfs/dbraw/zinc/09/85/72/693098572.db2.gz PBLVIGNRBSGVCL-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925724815 693329855 /nfs/dbraw/zinc/32/98/55/693329855.db2.gz DNFCFYGYDVYTSQ-MSOLQXFVSA-N 2 0 310.445 2.387 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486810 693545756 /nfs/dbraw/zinc/54/57/56/693545756.db2.gz PCVFVBNVJKAUMS-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513510 693554546 /nfs/dbraw/zinc/55/45/46/693554546.db2.gz FETVDSJGZZVAGI-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052864986 693637172 /nfs/dbraw/zinc/63/71/72/693637172.db2.gz BXQHYMZYHOPEGP-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402221640 1162295095 /nfs/dbraw/zinc/29/50/95/1162295095.db2.gz VJLNTSNEEIAPNC-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001402416063 1162348713 /nfs/dbraw/zinc/34/87/13/1162348713.db2.gz JHGUJDDOJLPVSQ-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001381736209 1153199833 /nfs/dbraw/zinc/19/98/33/1153199833.db2.gz YFUCAYKGDQJEEK-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001382020934 1153320977 /nfs/dbraw/zinc/32/09/77/1153320977.db2.gz XLTWITRZKNSXTE-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001375588159 1158821967 /nfs/dbraw/zinc/82/19/67/1158821967.db2.gz SNLOSBFOJGKDLD-VHDGCEQUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001397261647 1160089844 /nfs/dbraw/zinc/08/98/44/1160089844.db2.gz GCLPATSNNPCBDU-HNNXBMFYSA-N 2 0 315.889 2.394 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001402170963 1162273397 /nfs/dbraw/zinc/27/33/97/1162273397.db2.gz IWMBHQGJOXQYJI-GDBMZVCRSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001492965631 1165215197 /nfs/dbraw/zinc/21/51/97/1165215197.db2.gz LTGGWCJSCCUKDD-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001419686719 1168802599 /nfs/dbraw/zinc/80/25/99/1168802599.db2.gz UFUMKURTJJDYIW-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001419937200 1168960869 /nfs/dbraw/zinc/96/08/69/1168960869.db2.gz SKHBWXQRQACHCI-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001422919504 1172933911 /nfs/dbraw/zinc/93/39/11/1172933911.db2.gz PSEKFROQVGVZOT-ZBFHGGJFSA-N 2 0 323.868 2.478 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001423284498 1173206100 /nfs/dbraw/zinc/20/61/00/1173206100.db2.gz JFKOVYWRGOWEJF-CQSZACIVSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)CN(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001424339975 1173765875 /nfs/dbraw/zinc/76/58/75/1173765875.db2.gz MDKLCAXREYARAF-HNNXBMFYSA-N 2 0 315.889 2.394 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001424856466 1173993269 /nfs/dbraw/zinc/99/32/69/1173993269.db2.gz MULYFCUFTDHBKC-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438730882 1180800299 /nfs/dbraw/zinc/80/02/99/1180800299.db2.gz FQBNSBAHEWQOMS-DZGCQCFKSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001442138606 1182340940 /nfs/dbraw/zinc/34/09/40/1182340940.db2.gz BAVJVVNOOBLDTD-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001332012952 1149808100 /nfs/dbraw/zinc/80/81/00/1149808100.db2.gz HHTSILRSBBYXEU-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP N#CCCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001332110431 1149820632 /nfs/dbraw/zinc/82/06/32/1149820632.db2.gz HKYZWXYPXGHCGO-OAHLLOKOSA-N 2 0 322.840 2.039 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001332272972 1149843054 /nfs/dbraw/zinc/84/30/54/1149843054.db2.gz UIAOGWDMNKECGP-DZGCQCFKSA-N 2 0 321.490 2.484 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001072907738 790298352 /nfs/dbraw/zinc/29/83/52/790298352.db2.gz WFBOSXYORUAZOG-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106308919 782646887 /nfs/dbraw/zinc/64/68/87/782646887.db2.gz HYBKECXBZVTULN-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001106377985 782678580 /nfs/dbraw/zinc/67/85/80/782678580.db2.gz AVXZQQDUTGZJIU-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229219 782731150 /nfs/dbraw/zinc/73/11/50/782731150.db2.gz HSDUSSNCDFQPKV-IAGOWNOFSA-N 2 0 321.509 2.347 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234372 782789020 /nfs/dbraw/zinc/78/90/20/782789020.db2.gz IUKMJZYCOZIUFF-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001106748276 782914780 /nfs/dbraw/zinc/91/47/80/782914780.db2.gz RJULCXQLZOGAIH-ARFHVFGLSA-N 2 0 318.465 2.239 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430192 783101521 /nfs/dbraw/zinc/10/15/21/783101521.db2.gz JKWDFGMARRGJGP-MRXNPFEDSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492245 783157309 /nfs/dbraw/zinc/15/73/09/783157309.db2.gz GCJBJVCLOGZUNB-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493203 783159576 /nfs/dbraw/zinc/15/95/76/783159576.db2.gz UVRFGJOUWAPGNC-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050041 790418229 /nfs/dbraw/zinc/41/82/29/790418229.db2.gz HEBKWNOKVWPPGJ-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167235899 776787817 /nfs/dbraw/zinc/78/78/17/776787817.db2.gz CIQILLOAXKLDAU-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294671 776954304 /nfs/dbraw/zinc/95/43/04/776954304.db2.gz XERMMINVXZZEBS-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000981382081 778702150 /nfs/dbraw/zinc/70/21/50/778702150.db2.gz MDXZUIWRHJHZAH-ROUUACIJSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461827 790671143 /nfs/dbraw/zinc/67/11/43/790671143.db2.gz IBZXWVMQHHDTTG-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636126 779388173 /nfs/dbraw/zinc/38/81/73/779388173.db2.gz BDJPPJUAVAPILH-KSZLIROESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064627 779665825 /nfs/dbraw/zinc/66/58/25/779665825.db2.gz NHZYQMSVQYOVNY-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985469917 779852538 /nfs/dbraw/zinc/85/25/38/779852538.db2.gz LAYZJINSPZDSGS-QGZVFWFLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001088323395 779952070 /nfs/dbraw/zinc/95/20/70/779952070.db2.gz NDIWDDHPTYCXGA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001088429959 780114086 /nfs/dbraw/zinc/11/40/86/780114086.db2.gz DZGSEVHANPTTMP-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088617001 780624310 /nfs/dbraw/zinc/62/43/10/780624310.db2.gz UVTWBUWWVMJVGO-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168335250 780852003 /nfs/dbraw/zinc/85/20/03/780852003.db2.gz DMUXUTNFNYYAML-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671271 783341843 /nfs/dbraw/zinc/34/18/43/783341843.db2.gz NBGVAKKPXLMJLC-KRWDZBQOSA-N 2 0 324.428 2.188 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948369233 783442083 /nfs/dbraw/zinc/44/20/83/783442083.db2.gz XRHNPQRMSBPJMQ-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620263 783532594 /nfs/dbraw/zinc/53/25/94/783532594.db2.gz CLCIPFUELQYASI-KRWDZBQOSA-N 2 0 324.428 2.284 20 30 DEEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085918419 784213053 /nfs/dbraw/zinc/21/30/53/784213053.db2.gz CMINIVPTMDUKAN-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330507 784293109 /nfs/dbraw/zinc/29/31/09/784293109.db2.gz AAYWSXCKCKOBDZ-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086105460 784408993 /nfs/dbraw/zinc/40/89/93/784408993.db2.gz OOLVDZBXWMXNQV-YESZJQIVSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674336 784533347 /nfs/dbraw/zinc/53/33/47/784533347.db2.gz QOYDULJCZYJLII-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968782666 784587226 /nfs/dbraw/zinc/58/72/26/784587226.db2.gz XWHNFBIALMQPLS-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968855815 784620731 /nfs/dbraw/zinc/62/07/31/784620731.db2.gz AQIYTSONVZAWCD-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882156 784635201 /nfs/dbraw/zinc/63/52/01/784635201.db2.gz IPIJGWQFCHTNTO-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171237536 791089256 /nfs/dbraw/zinc/08/92/56/791089256.db2.gz QSQLXEVGUZNRKF-DLBZAZTESA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108798675 785542220 /nfs/dbraw/zinc/54/22/20/785542220.db2.gz GGBFSAFAJYXTLR-ULQDDVLXSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799721 785543049 /nfs/dbraw/zinc/54/30/49/785543049.db2.gz SNFMTHDTLBXICX-ULQDDVLXSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108800497 785543090 /nfs/dbraw/zinc/54/30/90/785543090.db2.gz DRGIPJSDKBJZLK-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828753 785557843 /nfs/dbraw/zinc/55/78/43/785557843.db2.gz ZVGDLXMNQYSMJM-KSZLIROESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834416 785560227 /nfs/dbraw/zinc/56/02/27/785560227.db2.gz NJQYXIDSTHTSJA-KSZLIROESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654118 785976698 /nfs/dbraw/zinc/97/66/98/785976698.db2.gz XHTNTJJYQMAOQY-NCOADZHNSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109717610 785995366 /nfs/dbraw/zinc/99/53/66/785995366.db2.gz YFNDRUGEMQPEQM-YVSFHVDLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109976104 786117799 /nfs/dbraw/zinc/11/77/99/786117799.db2.gz ROXDZDUELCVGCL-NCOADZHNSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113052141 786381250 /nfs/dbraw/zinc/38/12/50/786381250.db2.gz MSFIKDRGXIBVLK-UHFFFAOYSA-N 2 0 316.449 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014698859 786711980 /nfs/dbraw/zinc/71/19/80/786711980.db2.gz BLAWVBGPOPOTSR-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096605011 787755198 /nfs/dbraw/zinc/75/51/98/787755198.db2.gz VFZUXLCGJUZCIA-SQNIBIBYSA-N 2 0 313.445 2.269 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111593 787935556 /nfs/dbraw/zinc/93/55/56/787935556.db2.gz TYOXCJSZGGIQFB-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111592 787936258 /nfs/dbraw/zinc/93/62/58/787936258.db2.gz TYOXCJSZGGIQFB-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365785 788041907 /nfs/dbraw/zinc/04/19/07/788041907.db2.gz PZGUEFSRNJQVPP-ZWKOTPCHSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132424279 788063042 /nfs/dbraw/zinc/06/30/42/788063042.db2.gz DQMJEENEEDXUKZ-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493996 788104641 /nfs/dbraw/zinc/10/46/41/788104641.db2.gz OYCUOGZDJDAMAD-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132889240 788220008 /nfs/dbraw/zinc/22/00/08/788220008.db2.gz YPAUFWRQDFNDRQ-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729100 789051019 /nfs/dbraw/zinc/05/10/19/789051019.db2.gz FMKLYBCHILTQSM-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100600 789198332 /nfs/dbraw/zinc/19/83/32/789198332.db2.gz DRLJONCTWFMVNO-CVEARBPZSA-N 2 0 317.477 2.463 20 30 DEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170816949 789360703 /nfs/dbraw/zinc/36/07/03/789360703.db2.gz IVCFONAYEIFODZ-RDJZCZTQSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935972 789566345 /nfs/dbraw/zinc/56/63/45/789566345.db2.gz YRUMUIMDRSXGDX-OLZOCXBDSA-N 2 0 324.856 2.387 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600046 789803490 /nfs/dbraw/zinc/80/34/90/789803490.db2.gz FERLHGRTXHXIID-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651457 789842041 /nfs/dbraw/zinc/84/20/41/789842041.db2.gz IWBPXWJZUPLNQF-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071794782 789922306 /nfs/dbraw/zinc/92/23/06/789922306.db2.gz FNIWJIAQYGFBFR-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957594 789987034 /nfs/dbraw/zinc/98/70/34/789987034.db2.gz KVFUHWHPLNNBJO-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146625548 791325574 /nfs/dbraw/zinc/32/55/74/791325574.db2.gz YUOWATLDQQVWKM-HUUCEWRRSA-N 2 0 303.450 2.421 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725725 791606933 /nfs/dbraw/zinc/60/69/33/791606933.db2.gz YZFQKLOYLHTSPT-NVXWUHKLSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907878 791846228 /nfs/dbraw/zinc/84/62/28/791846228.db2.gz GERCJXKYCZXAJH-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938421 791856032 /nfs/dbraw/zinc/85/60/32/791856032.db2.gz PWYOTCWWCGSYGN-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942421 791857847 /nfs/dbraw/zinc/85/78/47/791857847.db2.gz QOBMXEGCTFJFSP-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3ccnc3)C2)CC1 ZINC001086959419 791864987 /nfs/dbraw/zinc/86/49/87/791864987.db2.gz DBTKJKNTWQHGAZ-INIZCTEOSA-N 2 0 316.449 2.162 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098834721 791958014 /nfs/dbraw/zinc/95/80/14/791958014.db2.gz BIYGKEHAORHBGL-BQFCYCMXSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001100438222 792652218 /nfs/dbraw/zinc/65/22/18/792652218.db2.gz WAVOMVYBOKQJKI-UHFFFAOYSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765943 792832948 /nfs/dbraw/zinc/83/29/48/792832948.db2.gz IUCGTOUSPVBTSB-JCYILVPMSA-N 2 0 309.498 2.413 20 30 DEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001101551482 793226600 /nfs/dbraw/zinc/22/66/00/793226600.db2.gz NJBXPFYMMUTODD-UHFFFAOYSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001101574897 793240454 /nfs/dbraw/zinc/24/04/54/793240454.db2.gz IXYDKIMAHZIFQF-MRXNPFEDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCOC(C)C)CC1 ZINC001172453956 793432094 /nfs/dbraw/zinc/43/20/94/793432094.db2.gz IDKWUPTXZCDDIO-IBGZPJMESA-N 2 0 323.525 2.482 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172954459 793554229 /nfs/dbraw/zinc/55/42/29/793554229.db2.gz SXOYKEVXUHTJMR-MOPGFXCFSA-N 2 0 321.509 2.236 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312793 793569159 /nfs/dbraw/zinc/56/91/59/793569159.db2.gz OBURJKHFGRBONV-JFIYKMOQSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001095026044 793591644 /nfs/dbraw/zinc/59/16/44/793591644.db2.gz XADGZQXOLPINQJ-BZSNNMDCSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434023 793613728 /nfs/dbraw/zinc/61/37/28/793613728.db2.gz LLLYHWMRVQSPHE-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977192 793854091 /nfs/dbraw/zinc/85/40/91/793854091.db2.gz QCSDEULYTWIVEB-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc[nH+]1 ZINC001174655723 794043091 /nfs/dbraw/zinc/04/30/91/794043091.db2.gz RCJWGIYYXWRLNO-UHFFFAOYSA-N 2 0 307.401 2.179 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374297 794062620 /nfs/dbraw/zinc/06/26/20/794062620.db2.gz BXJKLMCSPQDLJL-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001175218309 794161819 /nfs/dbraw/zinc/16/18/19/794161819.db2.gz QAQMKVANXCIGSO-IAGOWNOFSA-N 2 0 309.498 2.395 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782249 794479069 /nfs/dbraw/zinc/47/90/69/794479069.db2.gz AMCHFXIRRFGUDA-JZXOWHBKSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC2CC2)CC1 ZINC001176737154 794484282 /nfs/dbraw/zinc/48/42/82/794484282.db2.gz JBBLTOJNKSSXMX-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760106 794498945 /nfs/dbraw/zinc/49/89/45/794498945.db2.gz QAXPKXOPVGGYEG-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)CCC ZINC001177467235 794673300 /nfs/dbraw/zinc/67/33/00/794673300.db2.gz XKJAYDCYMRCITG-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143628 794689389 /nfs/dbraw/zinc/68/93/89/794689389.db2.gz IGPRMOYYXPLVMX-LISAXSMJSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805825 794926506 /nfs/dbraw/zinc/92/65/06/794926506.db2.gz HUDCHBHLGOWSRU-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)c1sccc1C[NH+](C)C ZINC001178617381 794959656 /nfs/dbraw/zinc/95/96/56/794959656.db2.gz GXYYCSBTVBWQFZ-UHFFFAOYSA-N 2 0 321.490 2.323 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698508 794980631 /nfs/dbraw/zinc/98/06/31/794980631.db2.gz JPSATXHTTMLMSM-OAHLLOKOSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001179032086 795054937 /nfs/dbraw/zinc/05/49/37/795054937.db2.gz FIJIMNHDIGNUHG-YOEHRIQHSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234600 795081099 /nfs/dbraw/zinc/08/10/99/795081099.db2.gz UQQQXFFYRPAEJO-RYQLBKOJSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929392 795201800 /nfs/dbraw/zinc/20/18/00/795201800.db2.gz LFBPPQSXIKECPP-PMPSAXMXSA-N 2 0 305.466 2.016 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180064987 795234595 /nfs/dbraw/zinc/23/45/95/795234595.db2.gz CPZBQWYGLBRAQA-ROUUACIJSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180064986 795234644 /nfs/dbraw/zinc/23/46/44/795234644.db2.gz CPZBQWYGLBRAQA-QZTJIDSGSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180204249 795256077 /nfs/dbraw/zinc/25/60/77/795256077.db2.gz MBIFPZRVJJCAQV-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120141419 795411250 /nfs/dbraw/zinc/41/12/50/795411250.db2.gz XOGWCCVJTWLQJX-UHFFFAOYSA-N 2 0 313.873 2.243 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120429830 795458268 /nfs/dbraw/zinc/45/82/68/795458268.db2.gz BUGFYZPNHHLRII-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120470995 795467636 /nfs/dbraw/zinc/46/76/36/795467636.db2.gz VEPGDOZPGAOTPK-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001183256466 795840250 /nfs/dbraw/zinc/84/02/50/795840250.db2.gz XBGDNIWWLMUZED-WBVHZDCISA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609534 796093377 /nfs/dbraw/zinc/09/33/77/796093377.db2.gz OUPITGWVZGSFNU-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185071942 796183745 /nfs/dbraw/zinc/18/37/45/796183745.db2.gz BYMULWDETVQSGJ-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168803 796201019 /nfs/dbraw/zinc/20/10/19/796201019.db2.gz JEVXOCVXOJQMAS-DLBZAZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cncn2C)C[C@@H]1C ZINC001185500957 796273045 /nfs/dbraw/zinc/27/30/45/796273045.db2.gz AAOBJSFFPWFUMQ-HOTGVXAUSA-N 2 0 318.465 2.003 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203640461 796414862 /nfs/dbraw/zinc/41/48/62/796414862.db2.gz CDLQZJUTTHUEKI-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202973635 796431099 /nfs/dbraw/zinc/43/10/99/796431099.db2.gz LOLHAKAPWONHEH-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186739780 796436592 /nfs/dbraw/zinc/43/65/92/796436592.db2.gz URIKEAVVAQJWTL-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857458 796590481 /nfs/dbraw/zinc/59/04/81/796590481.db2.gz MWCWCECSOOFPKF-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161219521 796693654 /nfs/dbraw/zinc/69/36/54/796693654.db2.gz JBCUGBBDDVULFO-QGZVFWFLSA-N 2 0 319.493 2.433 20 30 DEEDRP CSc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1C#N ZINC001141939932 796699307 /nfs/dbraw/zinc/69/93/07/796699307.db2.gz WYWXJYRTKNLVND-UHFFFAOYSA-N 2 0 304.463 2.449 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190655176 797049503 /nfs/dbraw/zinc/04/95/03/797049503.db2.gz OJZCMHKCHSNTFV-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191923260 797285342 /nfs/dbraw/zinc/28/53/42/797285342.db2.gz RUXLIRQIBHGJLT-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227972 797696099 /nfs/dbraw/zinc/69/60/99/797696099.db2.gz OURDTLIYAGPEDX-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266363 797702864 /nfs/dbraw/zinc/70/28/64/797702864.db2.gz QBTVRENUFYPQFR-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428380 797998739 /nfs/dbraw/zinc/99/87/39/797998739.db2.gz MDILEYFGNKQWGB-CQSZACIVSA-N 2 0 304.438 2.164 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655836 798088191 /nfs/dbraw/zinc/08/81/91/798088191.db2.gz KLTRQJLXNMIMKA-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCC=C)CC1 ZINC001157091844 798142245 /nfs/dbraw/zinc/14/22/45/798142245.db2.gz FJAWAFVODCPCOJ-QGZVFWFLSA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136294 798283420 /nfs/dbraw/zinc/28/34/20/798283420.db2.gz OEVLQCSVPBVKHT-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=CCCC[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221682 798295711 /nfs/dbraw/zinc/29/57/11/798295711.db2.gz MWWZKCCEMMFPMU-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159155379 798529922 /nfs/dbraw/zinc/52/99/22/798529922.db2.gz NXVREXJTLFUTCI-CABCVRRESA-N 2 0 301.450 2.117 20 30 DEEDRP N#Cc1cc(Nc2cccc(N3CC([NH3+])C3)c2)cc(C2C[NH2+]C2)c1 ZINC001159988961 798636786 /nfs/dbraw/zinc/63/67/86/798636786.db2.gz ICWAVSQCAQJSFG-UHFFFAOYSA-N 2 0 319.412 2.136 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001201117798 798713274 /nfs/dbraw/zinc/71/32/74/798713274.db2.gz DPOTWHVKEIVHAF-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC001160669448 798719158 /nfs/dbraw/zinc/71/91/58/798719158.db2.gz FEAIXRFXYHKVIF-KRWDZBQOSA-N 2 0 316.449 2.034 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201619455 798779759 /nfs/dbraw/zinc/77/97/59/798779759.db2.gz QAOLEDSCKAHOHY-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219352 798812499 /nfs/dbraw/zinc/81/24/99/798812499.db2.gz FGGXOIANVPDLAP-UHFFFAOYSA-N 2 0 319.493 2.126 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924470 798968548 /nfs/dbraw/zinc/96/85/48/798968548.db2.gz DNEGJFWWAWABLN-CALCHBBNSA-N 2 0 317.477 2.021 20 30 DEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C#N)c2ccccc2n1 ZINC001163128665 799252935 /nfs/dbraw/zinc/25/29/35/799252935.db2.gz PJSCAKIDOVGYMG-UHFFFAOYSA-N 2 0 310.405 2.385 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569442 799746935 /nfs/dbraw/zinc/74/69/35/799746935.db2.gz ZPILAPCUUJLTPM-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687507 799922336 /nfs/dbraw/zinc/92/23/36/799922336.db2.gz UIAXKKQWJSSTKX-QGZVFWFLSA-N 2 0 313.461 2.261 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540086 800075023 /nfs/dbraw/zinc/07/50/23/800075023.db2.gz TUYBDEHCPMIUGM-IRXDYDNUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203640460 800097181 /nfs/dbraw/zinc/09/71/81/800097181.db2.gz CDLQZJUTTHUEKI-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205519128 800367601 /nfs/dbraw/zinc/36/76/01/800367601.db2.gz WOGPMDDHUUMARC-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001205562276 800376719 /nfs/dbraw/zinc/37/67/19/800376719.db2.gz SGIUDVMXEQWRIU-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCN(CC[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1)C(=O)OCC ZINC001206579943 800558041 /nfs/dbraw/zinc/55/80/41/800558041.db2.gz BKUUPWYBVFFRAU-MRXNPFEDSA-N 2 0 311.470 2.483 20 30 DEEDRP C#C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC001206728674 800580551 /nfs/dbraw/zinc/58/05/51/800580551.db2.gz UHXQRDNBJLHTSX-JLAWEPINSA-N 2 0 320.477 2.038 20 30 DEEDRP C#CC[NH2+]CC1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001206869249 800610321 /nfs/dbraw/zinc/61/03/21/800610321.db2.gz ZLUFJLDBOYYNFU-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871227 800611298 /nfs/dbraw/zinc/61/12/98/800611298.db2.gz CVOZICCBTDWFLN-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790439 800833770 /nfs/dbraw/zinc/83/37/70/800833770.db2.gz UEQYZLPSLADTIN-GDBMZVCRSA-N 2 0 307.482 2.262 20 30 DEEDRP 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 800855903 /nfs/dbraw/zinc/85/59/03/800855903.db2.gz LMRWYKSIKNYYQM-BDXSIMOUSA-N 2 0 319.493 2.098 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001208678038 801045710 /nfs/dbraw/zinc/04/57/10/801045710.db2.gz DPNXUYODFMSOHJ-HOTGVXAUSA-N 2 0 318.465 2.288 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208747902 801061660 /nfs/dbraw/zinc/06/16/60/801061660.db2.gz FRFVFNBDGCUYLI-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001229458331 801280413 /nfs/dbraw/zinc/28/04/13/801280413.db2.gz IKCQYUKTDWFCTQ-QZTJIDSGSA-N 2 0 319.493 2.147 20 30 DEEDRP Cc1cc(N)[nH+]cc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001209967824 801313836 /nfs/dbraw/zinc/31/38/36/801313836.db2.gz SLORDSJLXVPQTG-UHFFFAOYSA-N 2 0 322.416 2.339 20 30 DEEDRP COc1cccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1C#N ZINC001210121822 801338085 /nfs/dbraw/zinc/33/80/85/801338085.db2.gz IBUSJTIIFFUJDK-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210181974 801347115 /nfs/dbraw/zinc/34/71/15/801347115.db2.gz HDUKCQGYZFPYLA-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210235464 801355590 /nfs/dbraw/zinc/35/55/90/801355590.db2.gz BDLUABMNTLLPKC-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230263370 801378437 /nfs/dbraw/zinc/37/84/37/801378437.db2.gz SMVDAJGNZRTPAE-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001230284756 801381493 /nfs/dbraw/zinc/38/14/93/801381493.db2.gz SZJUQPBOECQPHK-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211256544 801536918 /nfs/dbraw/zinc/53/69/18/801536918.db2.gz IJCGZGJMVPMKJA-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231821965 801734466 /nfs/dbraw/zinc/73/44/66/801734466.db2.gz PUUVGMDVGGWXRW-ROUUACIJSA-N 2 0 312.461 2.420 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214888836 801773066 /nfs/dbraw/zinc/77/30/66/801773066.db2.gz DDYBHVIVAWOFNP-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216964725 802040201 /nfs/dbraw/zinc/04/02/01/802040201.db2.gz HVORUJKHGIGXNM-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccccc1 ZINC001221360131 802559767 /nfs/dbraw/zinc/55/97/67/802559767.db2.gz DXUZWBFJTFGUEO-SJORKVTESA-N 2 0 313.445 2.294 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001221594796 802594994 /nfs/dbraw/zinc/59/49/94/802594994.db2.gz CJHNGRDRBWZQOL-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027499 802634165 /nfs/dbraw/zinc/63/41/65/802634165.db2.gz YGDLNKONFXOMSB-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891552 802747837 /nfs/dbraw/zinc/74/78/37/802747837.db2.gz DWGBJMLGHBEOKE-NJAFHUGGSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223984789 802827684 /nfs/dbraw/zinc/82/76/84/802827684.db2.gz ISAHNBFLWXOOIQ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226823998 803165312 /nfs/dbraw/zinc/16/53/12/803165312.db2.gz IAYYNHUXDQITHG-HUUCEWRRSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227619308 803261066 /nfs/dbraw/zinc/26/10/66/803261066.db2.gz OHYCDGAROBCGGZ-INIZCTEOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)c2cccc3nccn32)CC1 ZINC001228249807 803336091 /nfs/dbraw/zinc/33/60/91/803336091.db2.gz VAKMIFWGQYIHMC-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001228457817 803362744 /nfs/dbraw/zinc/36/27/44/803362744.db2.gz ZSNCGKNAYYFEKP-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001328673046 1148822890 /nfs/dbraw/zinc/82/28/90/1148822890.db2.gz XBDNGCQRUOZLTQ-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001500048899 1058451664 /nfs/dbraw/zinc/45/16/64/1058451664.db2.gz XZHRFTUZXFETGJ-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001501229629 1059394359 /nfs/dbraw/zinc/39/43/59/1059394359.db2.gz BTRXDQSZCLQZTK-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001501404626 1059494383 /nfs/dbraw/zinc/49/43/83/1059494383.db2.gz SKTQUBSHYSYOLG-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001501670097 1059624563 /nfs/dbraw/zinc/62/45/63/1059624563.db2.gz HIUVTKXUICPXFP-GOSISDBHSA-N 2 0 315.461 2.262 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001502967169 1060409305 /nfs/dbraw/zinc/40/93/05/1060409305.db2.gz HLKYUXJHDSJLBW-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001505400297 1060534818 /nfs/dbraw/zinc/53/48/18/1060534818.db2.gz KEOSONOLLJWLPL-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001479302038 1061377649 /nfs/dbraw/zinc/37/76/49/1061377649.db2.gz GWBIWXAXSMWGLG-VVLHAWIVSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479599296 1061515568 /nfs/dbraw/zinc/51/55/68/1061515568.db2.gz CVGWMKPFPZZZNY-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480299512 1062606490 /nfs/dbraw/zinc/60/64/90/1062606490.db2.gz DDPHYCMKEXZZKE-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507016320 1062679447 /nfs/dbraw/zinc/67/94/47/1062679447.db2.gz WQXOJOJSVCDMOS-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001480362789 1062715091 /nfs/dbraw/zinc/71/50/91/1062715091.db2.gz MVQJVZPMOKJDAM-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001480372466 1062732237 /nfs/dbraw/zinc/73/22/37/1062732237.db2.gz KWWUTZWZIXLRHV-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001327271663 1148509490 /nfs/dbraw/zinc/50/94/90/1148509490.db2.gz RWXWGQWQLAWPOE-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001567445477 1064201916 /nfs/dbraw/zinc/20/19/16/1064201916.db2.gz ZZQPUMIOZISHRA-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567702632 1064357418 /nfs/dbraw/zinc/35/74/18/1064357418.db2.gz HBZVMMKVJOYEGE-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567944743 1064551151 /nfs/dbraw/zinc/55/11/51/1064551151.db2.gz ACXKCMJVVBEDFU-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001568106215 1064649604 /nfs/dbraw/zinc/64/96/04/1064649604.db2.gz OILIORQJEXLRNN-QAQDUYKDSA-N 2 0 319.493 2.456 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001568107564 1064649952 /nfs/dbraw/zinc/64/99/52/1064649952.db2.gz HEIWBCGTOYERMA-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001568252590 1064730007 /nfs/dbraw/zinc/73/00/07/1064730007.db2.gz MNBXTSFPWNCWGU-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001568300138 1064763995 /nfs/dbraw/zinc/76/39/95/1064763995.db2.gz KZEOYHWIFCICOO-HNNXBMFYSA-N 2 0 303.450 2.027 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001568408487 1064846421 /nfs/dbraw/zinc/84/64/21/1064846421.db2.gz AGZXTZIJFGKRDF-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001495521430 1064962847 /nfs/dbraw/zinc/96/28/47/1064962847.db2.gz VCXJJZRWPUZYAB-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001618187222 1078152478 /nfs/dbraw/zinc/15/24/78/1078152478.db2.gz JIKSOOFNTIGODD-UHFFFAOYSA-N 2 0 301.434 2.233 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569123262 1065303118 /nfs/dbraw/zinc/30/31/18/1065303118.db2.gz SBVZUKFCFJBXNP-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001569310314 1065422091 /nfs/dbraw/zinc/42/20/91/1065422091.db2.gz ZUYRXVMEHJRHIZ-WBVHZDCISA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001569466503 1065523619 /nfs/dbraw/zinc/52/36/19/1065523619.db2.gz BIJZKIFWPFXPQZ-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cnc1C ZINC001569563315 1065595855 /nfs/dbraw/zinc/59/58/55/1065595855.db2.gz PAGJBJBZPMLPHU-ZFWWWQNUSA-N 2 0 304.438 2.196 20 30 DEEDRP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569711532 1065684161 /nfs/dbraw/zinc/68/41/61/1065684161.db2.gz DWLBTAFQQUGJST-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496914112 1065799959 /nfs/dbraw/zinc/79/99/59/1065799959.db2.gz SXXIWYJKVAKDDJ-MSOLQXFVSA-N 2 0 315.461 2.422 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001570383570 1066041649 /nfs/dbraw/zinc/04/16/49/1066041649.db2.gz KZFNROKPALUYIB-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001498379669 1066667454 /nfs/dbraw/zinc/66/74/54/1066667454.db2.gz ATILBOQXRLMNAB-WMLDXEAASA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499573401 1067263236 /nfs/dbraw/zinc/26/32/36/1067263236.db2.gz DEJZDGPDMJJJJG-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267026161 1078511729 /nfs/dbraw/zinc/51/17/29/1078511729.db2.gz IBBPYAIIZCZXFI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267053376 1078531575 /nfs/dbraw/zinc/53/15/75/1078531575.db2.gz NPSJKUBPFFUAPT-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483466641 1078551687 /nfs/dbraw/zinc/55/16/87/1078551687.db2.gz OFDDAQRMPORXMW-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001279585849 1078614436 /nfs/dbraw/zinc/61/44/36/1078614436.db2.gz DJFDENMWNCQRLS-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001483616269 1078628711 /nfs/dbraw/zinc/62/87/11/1078628711.db2.gz CEJUTKOUMRIRIY-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267174070 1078638021 /nfs/dbraw/zinc/63/80/21/1078638021.db2.gz VRUVRFJUNRTDPF-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570689356 1068069125 /nfs/dbraw/zinc/06/91/25/1068069125.db2.gz WGNAVYXTPXSESY-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267181742 1078645217 /nfs/dbraw/zinc/64/52/17/1078645217.db2.gz NBHXLRBAWRGYAT-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001570847114 1068138923 /nfs/dbraw/zinc/13/89/23/1068138923.db2.gz CHSNSRLZKHTTQX-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267200503 1078660661 /nfs/dbraw/zinc/66/06/61/1078660661.db2.gz CSAOXTRZSYYHCD-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001571022040 1068173795 /nfs/dbraw/zinc/17/37/95/1068173795.db2.gz LEEGZUUBKPJDNM-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001571053463 1068177494 /nfs/dbraw/zinc/17/74/94/1068177494.db2.gz NUYRDOXWWWQZPK-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267216875 1078673179 /nfs/dbraw/zinc/67/31/79/1078673179.db2.gz SJBFXFCBDPXDOH-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001267218213 1078673806 /nfs/dbraw/zinc/67/38/06/1078673806.db2.gz ZUDPHJXKEVDDKW-UHFFFAOYSA-N 2 0 303.450 2.028 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001571508288 1068367351 /nfs/dbraw/zinc/36/73/51/1068367351.db2.gz CVMGKVBUHKDXEO-BRWVUGGUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001571511556 1068369517 /nfs/dbraw/zinc/36/95/17/1068369517.db2.gz SQBMKIIAGGTKPB-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1ccnc1C ZINC001483688752 1078798165 /nfs/dbraw/zinc/79/81/65/1078798165.db2.gz QHDGKVGCMFFGPF-MRXNPFEDSA-N 2 0 304.438 2.128 20 30 DEEDRP CC#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001267512668 1078941398 /nfs/dbraw/zinc/94/13/98/1078941398.db2.gz QPJBUOGFEMJPMI-QGZVFWFLSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267544329 1078973585 /nfs/dbraw/zinc/97/35/85/1078973585.db2.gz KCVREQRADKDAIF-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740688 1078974155 /nfs/dbraw/zinc/97/41/55/1078974155.db2.gz OCLJYCBDDQEXLV-MRXNPFEDSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483743970 1078980281 /nfs/dbraw/zinc/98/02/81/1078980281.db2.gz JTRXRWQQOUTUPS-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cn2ccnc2C)C1 ZINC001267572236 1079041800 /nfs/dbraw/zinc/04/18/00/1079041800.db2.gz XULQIEBTYWNWJO-DOTOQJQBSA-N 2 0 318.465 2.374 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483803081 1079130528 /nfs/dbraw/zinc/13/05/28/1079130528.db2.gz ZEWKODPSDBYBHV-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483975522 1079221466 /nfs/dbraw/zinc/22/14/66/1079221466.db2.gz LVHLPRZGZGRHRP-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001566743691 1074997876 /nfs/dbraw/zinc/99/78/76/1074997876.db2.gz PPBJJSHZDFZNIY-ZWKOTPCHSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001565872232 1075060755 /nfs/dbraw/zinc/06/07/55/1075060755.db2.gz JNLSEEUTQJXTER-QBPKDAKJSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001565867556 1075200889 /nfs/dbraw/zinc/20/08/89/1075200889.db2.gz WAVOMVYBOKQJKI-QAQDUYKDSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566066996 1075223479 /nfs/dbraw/zinc/22/34/79/1075223479.db2.gz BETIVIOESXTBRV-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001566609948 1075296510 /nfs/dbraw/zinc/29/65/10/1075296510.db2.gz SZABIGRIQQNIFM-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001566614059 1075297233 /nfs/dbraw/zinc/29/72/33/1075297233.db2.gz YHCXAYNZHOEMKC-INIZCTEOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001566942048 1075394051 /nfs/dbraw/zinc/39/40/51/1075394051.db2.gz FKMACZVPWNRVKC-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001566940658 1075394523 /nfs/dbraw/zinc/39/45/23/1075394523.db2.gz NAQSGMUQEHXOPA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962884 1075401915 /nfs/dbraw/zinc/40/19/15/1075401915.db2.gz MWKHDHSDMCFDHE-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567163816 1075449460 /nfs/dbraw/zinc/44/94/60/1075449460.db2.gz HWXJKHKEPZKZEM-IAGOWNOFSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267811443 1079510657 /nfs/dbraw/zinc/51/06/57/1079510657.db2.gz STDLZWVAAUYCLV-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001267948360 1079627666 /nfs/dbraw/zinc/62/76/66/1079627666.db2.gz AYPMFTAIAXMZFP-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001267974432 1079656978 /nfs/dbraw/zinc/65/69/78/1079656978.db2.gz YEKLEVWDWZVYMF-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001484772233 1079786998 /nfs/dbraw/zinc/78/69/98/1079786998.db2.gz ORIKTOSKFUTHHR-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1cnc(C)c1 ZINC001485062854 1079953438 /nfs/dbraw/zinc/95/34/38/1079953438.db2.gz JNMABWBLRUFKEP-OAHLLOKOSA-N 2 0 304.438 2.035 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481495668 1079955573 /nfs/dbraw/zinc/95/55/73/1079955573.db2.gz CGVNSTNZKOJYAN-ULQDDVLXSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001485097974 1079972289 /nfs/dbraw/zinc/97/22/89/1079972289.db2.gz TVUONQCHYUMVHF-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001485254255 1080089047 /nfs/dbraw/zinc/08/90/47/1080089047.db2.gz ZDNVBNABUHMXIN-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000982011647 1080183255 /nfs/dbraw/zinc/18/32/55/1080183255.db2.gz HGLNJYMOFNBGQB-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)C1CC[NH+](C)CC1 ZINC001485468343 1080225140 /nfs/dbraw/zinc/22/51/40/1080225140.db2.gz KXEAAZWQIVBZBA-HNNXBMFYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001268265559 1080245815 /nfs/dbraw/zinc/24/58/15/1080245815.db2.gz ABEKTIGFFKGWJA-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001268280947 1080259637 /nfs/dbraw/zinc/25/96/37/1080259637.db2.gz OSZIXMRIACSOLE-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001485582218 1080314265 /nfs/dbraw/zinc/31/42/65/1080314265.db2.gz MXVNBXAIQCWXGB-HOTGVXAUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001660536996 1080352870 /nfs/dbraw/zinc/35/28/70/1080352870.db2.gz PUPQKOAWWONWFT-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001660775795 1080395227 /nfs/dbraw/zinc/39/52/27/1080395227.db2.gz GZSNDZRRHHULEL-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+][C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001485784868 1080432151 /nfs/dbraw/zinc/43/21/51/1080432151.db2.gz DVGQDLATYLRDPH-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001661156183 1080448353 /nfs/dbraw/zinc/44/83/53/1080448353.db2.gz DNXIJIQDJFTWAF-XIRDDKMYSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661598521 1080498684 /nfs/dbraw/zinc/49/86/84/1080498684.db2.gz YCHCOJBQUREPRH-NCOADZHNSA-N 2 0 307.482 2.451 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036658 1080551724 /nfs/dbraw/zinc/55/17/24/1080551724.db2.gz OPGZDXXLUBWHKL-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001481900300 1080591089 /nfs/dbraw/zinc/59/10/89/1080591089.db2.gz SYUNKLWEFJWQEB-SJORKVTESA-N 2 0 317.477 2.045 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001481913494 1080601681 /nfs/dbraw/zinc/60/16/81/1080601681.db2.gz XRWNUKXDLOFNJM-UHFFFAOYSA-N 2 0 301.862 2.098 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481991390 1080674009 /nfs/dbraw/zinc/67/40/09/1080674009.db2.gz NCRDLRKYQUIGFH-GOSISDBHSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001663124210 1080706191 /nfs/dbraw/zinc/70/61/91/1080706191.db2.gz UDVUMZBRVZDSGZ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107329007 1080732014 /nfs/dbraw/zinc/73/20/14/1080732014.db2.gz FBHQZFWLYQEJKD-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001663727973 1080810307 /nfs/dbraw/zinc/81/03/07/1080810307.db2.gz VLQQSLVFRXEQLY-QGZVFWFLSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001664516738 1080919416 /nfs/dbraw/zinc/91/94/16/1080919416.db2.gz LEUWIZFAKQWOIA-UHFFFAOYSA-N 2 0 312.417 2.106 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001664677397 1080940228 /nfs/dbraw/zinc/94/02/28/1080940228.db2.gz ADYAVHMFAXAHAM-BZSNNMDCSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001664683470 1080940438 /nfs/dbraw/zinc/94/04/38/1080940438.db2.gz JMDVYQRMYSOSCU-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001664685512 1080942812 /nfs/dbraw/zinc/94/28/12/1080942812.db2.gz CFXHMEBZSIODMN-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664818268 1080966344 /nfs/dbraw/zinc/96/63/44/1080966344.db2.gz RKFXCOMRHKPMER-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001268829069 1081010903 /nfs/dbraw/zinc/01/09/03/1081010903.db2.gz VMWOQANEVJYNNN-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001666214768 1081134482 /nfs/dbraw/zinc/13/44/82/1081134482.db2.gz PKNZHJXDYBHLCU-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001666310570 1081143133 /nfs/dbraw/zinc/14/31/33/1081143133.db2.gz TUWBYEVYJOVGSS-BZSNNMDCSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001666759590 1081179018 /nfs/dbraw/zinc/17/90/18/1081179018.db2.gz CDVYYMCJKYRXBB-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001667215757 1081226154 /nfs/dbraw/zinc/22/61/54/1081226154.db2.gz AMYLYNLQVQKAQC-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001667262431 1081231575 /nfs/dbraw/zinc/23/15/75/1081231575.db2.gz KNEWBLZWRPMARP-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001482222464 1081259861 /nfs/dbraw/zinc/25/98/61/1081259861.db2.gz LRBKJSKSPAYODY-JKSUJKDBSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001269533049 1081280951 /nfs/dbraw/zinc/28/09/51/1081280951.db2.gz NBYWFCNOYPWCAF-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001269805927 1081371659 /nfs/dbraw/zinc/37/16/59/1081371659.db2.gz UGYPSUDKQPSGAH-INIZCTEOSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269859028 1081384502 /nfs/dbraw/zinc/38/45/02/1081384502.db2.gz KIDHGUZJIRACRA-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001269895048 1081393976 /nfs/dbraw/zinc/39/39/76/1081393976.db2.gz HXGRQMUIJSFRAG-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001269902297 1081395117 /nfs/dbraw/zinc/39/51/17/1081395117.db2.gz OMXNTAOHXNBPCS-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001270066423 1081441441 /nfs/dbraw/zinc/44/14/41/1081441441.db2.gz KFQPWINDAMKORB-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001280163757 1081451233 /nfs/dbraw/zinc/45/12/33/1081451233.db2.gz KUEFRICRHUAWMP-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001669751290 1081465772 /nfs/dbraw/zinc/46/57/72/1081465772.db2.gz ZUQFMPLXSPYCCG-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001669974113 1081485947 /nfs/dbraw/zinc/48/59/47/1081485947.db2.gz QTLJJUXLMVAWGS-QZTJIDSGSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482283060 1081509939 /nfs/dbraw/zinc/50/99/39/1081509939.db2.gz CCLJPLIXOBWKGH-AWEZNQCLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)CN1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000952444528 1081714578 /nfs/dbraw/zinc/71/45/78/1081714578.db2.gz VJKOHFUMHYCNML-DOTOQJQBSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001270798971 1081715264 /nfs/dbraw/zinc/71/52/64/1081715264.db2.gz ZZVJRZZWAFGEIA-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[N@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001673079950 1081737559 /nfs/dbraw/zinc/73/75/59/1081737559.db2.gz VXFKDMXOBKDVKO-SFHVURJKSA-N 2 0 315.461 2.187 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271007184 1081873078 /nfs/dbraw/zinc/87/30/78/1081873078.db2.gz KITAVQDALPGEED-SJLPKXTDSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001482469420 1081941945 /nfs/dbraw/zinc/94/19/45/1081941945.db2.gz DIQNDLUQDHZKDE-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001271765341 1082149160 /nfs/dbraw/zinc/14/91/60/1082149160.db2.gz XINZQYHXBOZMBO-JFIYKMOQSA-N 2 0 319.493 2.026 20 30 DEEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001279222996 1082238325 /nfs/dbraw/zinc/23/83/25/1082238325.db2.gz XFDIFMZGCUUUGB-BJWYYQGGSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266663231 1082257564 /nfs/dbraw/zinc/25/75/64/1082257564.db2.gz MACCQBQKZYIJJC-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266845308 1082387652 /nfs/dbraw/zinc/38/76/52/1082387652.db2.gz WAUQCNUWJZEFAQ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266860214 1082404363 /nfs/dbraw/zinc/40/43/63/1082404363.db2.gz ZUJLGGWDVBSJPM-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001277702244 1084103007 /nfs/dbraw/zinc/10/30/07/1084103007.db2.gz JMTQYVPVSIJCAV-MSOLQXFVSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491236925 1084174894 /nfs/dbraw/zinc/17/48/94/1084174894.db2.gz PXWDLULWVMBZBT-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CC[NH+](CCNC(=O)CC[N@@H+](C)CC)C1CCCCCC1 ZINC001670976548 1084179858 /nfs/dbraw/zinc/17/98/58/1084179858.db2.gz CRIQZJQTHYSWEU-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C#CC[N@H+](CC1CC1)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001670989404 1084186519 /nfs/dbraw/zinc/18/65/19/1084186519.db2.gz STDQLIUPDKNRFG-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCCCCCN1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001235173880 1084335745 /nfs/dbraw/zinc/33/57/45/1084335745.db2.gz FMLAQAJTKCJSQZ-GOSISDBHSA-N 2 0 307.482 2.457 20 30 DEEDRP N#CCCCC[NH+]1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277948230 1084444136 /nfs/dbraw/zinc/44/41/36/1084444136.db2.gz GQDLLQKHYQWNNC-UHFFFAOYSA-N 2 0 314.433 2.379 20 30 DEEDRP N#CCCCC[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277949658 1084448380 /nfs/dbraw/zinc/44/83/80/1084448380.db2.gz ZNVKPBXAZZPKMT-UHFFFAOYSA-N 2 0 301.438 2.391 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001078657394 1084784594 /nfs/dbraw/zinc/78/45/94/1084784594.db2.gz WEFOSIYOVORZPW-CVEARBPZSA-N 2 0 317.477 2.065 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741731 1084855532 /nfs/dbraw/zinc/85/55/32/1084855532.db2.gz KHORQUBAHURJST-IRXDYDNUSA-N 2 0 319.493 2.311 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000964014955 1085147071 /nfs/dbraw/zinc/14/70/71/1085147071.db2.gz HAPZHUYHHDNARY-DAWZGUTISA-N 2 0 319.493 2.242 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961286522 1085672062 /nfs/dbraw/zinc/67/20/62/1085672062.db2.gz RTJBIXRNIYIYAJ-QZTJIDSGSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965933069 1085700629 /nfs/dbraw/zinc/70/06/29/1085700629.db2.gz LMIAWDSWCQPADF-GFBLOWMDSA-N 2 0 305.466 2.062 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC000962268541 1086045862 /nfs/dbraw/zinc/04/58/62/1086045862.db2.gz FDAJWQLOBOQJOW-XDNAFOTISA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533778 1086189141 /nfs/dbraw/zinc/18/91/41/1086189141.db2.gz RTQPHBZILSAEBO-OAHLLOKOSA-N 2 0 301.450 2.119 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769627 1088459353 /nfs/dbraw/zinc/45/93/53/1088459353.db2.gz GZCNCALAOKLYQS-PIIMJCKOSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079849205 1088471107 /nfs/dbraw/zinc/47/11/07/1088471107.db2.gz PZLIVNDIPSKZBD-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080021586 1088565032 /nfs/dbraw/zinc/56/50/32/1088565032.db2.gz GTTAJJFDRAGOON-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554180 1089060966 /nfs/dbraw/zinc/06/09/66/1089060966.db2.gz FIDFBBXATDRMAE-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001080755982 1089173166 /nfs/dbraw/zinc/17/31/66/1089173166.db2.gz DTIKMMDSOIXTKD-KZNAEPCWSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639465 1090355522 /nfs/dbraw/zinc/35/55/22/1090355522.db2.gz UKMHPTGZNBESBF-BRWVUGGUSA-N 2 0 307.482 2.072 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001410394710 1090611941 /nfs/dbraw/zinc/61/19/41/1090611941.db2.gz XWNLVWLKXFZIFF-KGLIPLIRSA-N 2 0 301.862 2.048 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010114 1090620772 /nfs/dbraw/zinc/62/07/72/1090620772.db2.gz MVMZKBJKXPWJQG-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085101046 1090645939 /nfs/dbraw/zinc/64/59/39/1090645939.db2.gz QQDYSNQPSAANPN-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001274339553 1091195380 /nfs/dbraw/zinc/19/53/80/1091195380.db2.gz JEVTXPCMCCVMLG-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001275296219 1091656944 /nfs/dbraw/zinc/65/69/44/1091656944.db2.gz VWRBAUKTSVMMOA-UHFFFAOYSA-N 2 0 321.428 2.379 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494838460 1091670708 /nfs/dbraw/zinc/67/07/08/1091670708.db2.gz DHKCHEDSCZXQFK-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001671086022 1091763550 /nfs/dbraw/zinc/76/35/50/1091763550.db2.gz UUCVJZWBMIOJFW-PKOBYXMFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281455 1091923459 /nfs/dbraw/zinc/92/34/59/1091923459.db2.gz SITNTEBGWGSUHN-VQHPVUNQSA-N 2 0 317.477 2.158 20 30 DEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001275968846 1092399872 /nfs/dbraw/zinc/39/98/72/1092399872.db2.gz PRKSXRZERKEMER-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765681 1093518779 /nfs/dbraw/zinc/51/87/79/1093518779.db2.gz GZDRLCGMUBPEBC-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001274208010 1093852011 /nfs/dbraw/zinc/85/20/11/1093852011.db2.gz FGTSXBIOOWKURM-ZFWWWQNUSA-N 2 0 321.490 2.436 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001274208009 1093852085 /nfs/dbraw/zinc/85/20/85/1093852085.db2.gz FGTSXBIOOWKURM-HIFRSBDPSA-N 2 0 321.490 2.436 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001039463666 1138277985 /nfs/dbraw/zinc/27/79/85/1138277985.db2.gz AUCLDZMKASBFOH-AOIWGVFYSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518770 1138370506 /nfs/dbraw/zinc/37/05/06/1138370506.db2.gz WLSRTOGITMUDEW-UHFFFAOYSA-N 2 0 305.441 2.464 20 30 DEEDRP C=CCOc1ccccc1CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236922273 1138456859 /nfs/dbraw/zinc/45/68/59/1138456859.db2.gz FRPUKLGLKOFUMQ-SFHVURJKSA-N 2 0 317.477 2.367 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001238104336 1138823044 /nfs/dbraw/zinc/82/30/44/1138823044.db2.gz LLENMMKDIGOUEG-IBGZPJMESA-N 2 0 324.428 2.335 20 30 DEEDRP CCCCCCCCNC(=S)NCCC[NH2+]CCC[NH3+] ZINC001239396617 1139034300 /nfs/dbraw/zinc/03/43/00/1139034300.db2.gz KQMTZNTXZUDVLL-UHFFFAOYSA-N 2 0 302.532 2.140 20 30 DEEDRP C=CC[NH2+]C[C@@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@H]1C ZINC001318744062 1140399013 /nfs/dbraw/zinc/39/90/13/1140399013.db2.gz JEZDBJPPQKJGII-QAPCUYQASA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001319032220 1140492752 /nfs/dbraw/zinc/49/27/52/1140492752.db2.gz XNYVPQPVXWIFPQ-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001320187768 1140836465 /nfs/dbraw/zinc/83/64/65/1140836465.db2.gz WWOXMNMSFRFSRC-IRXDYDNUSA-N 2 0 307.482 2.313 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001245992604 1140843046 /nfs/dbraw/zinc/84/30/46/1140843046.db2.gz ZCLVQSRAQNNPHT-ZACQAIPSSA-N 2 0 300.487 2.191 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246023370 1140848187 /nfs/dbraw/zinc/84/81/87/1140848187.db2.gz RKGBOWZFMYMUKH-GVDBMIGSSA-N 2 0 300.487 2.130 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246406590 1140894735 /nfs/dbraw/zinc/89/47/35/1140894735.db2.gz QUGDHVKPYLROQE-OKZBNKHCSA-N 2 0 316.424 2.100 20 30 DEEDRP CC1(C#N)CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001246521406 1140932188 /nfs/dbraw/zinc/93/21/88/1140932188.db2.gz VGKOBTHSAOROGD-PQUAAJSLSA-N 2 0 320.481 2.168 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246719888 1141045184 /nfs/dbraw/zinc/04/51/84/1141045184.db2.gz HMXUCLXOFYRCTE-BSDSXHPESA-N 2 0 308.466 2.201 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001278505819 1141791285 /nfs/dbraw/zinc/79/12/85/1141791285.db2.gz UUSONVZRYXSBRO-KRWDZBQOSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001323642356 1141873194 /nfs/dbraw/zinc/87/31/94/1141873194.db2.gz MGRBFFKOKDPHAU-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001278582915 1142241252 /nfs/dbraw/zinc/24/12/52/1142241252.db2.gz RVZJHNMDSVWCMY-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001278632484 1142396173 /nfs/dbraw/zinc/39/61/73/1142396173.db2.gz QKAINDSNQUFASG-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278662466 1142693827 /nfs/dbraw/zinc/69/38/27/1142693827.db2.gz CCDRLEFEUIRFNF-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001252499164 1142736684 /nfs/dbraw/zinc/73/66/84/1142736684.db2.gz WXOSXYBOJHPBTO-QXAKKESOSA-N 2 0 318.461 2.050 20 30 DEEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001252571751 1142768185 /nfs/dbraw/zinc/76/81/85/1142768185.db2.gz JSKJYNARNBDTJQ-MANSERQUSA-N 2 0 300.446 2.424 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1[NH2+]CC12CCCC2)C(C)C ZINC001339768242 1143096283 /nfs/dbraw/zinc/09/62/83/1143096283.db2.gz NXUUHOQTOYOPNQ-IRXDYDNUSA-N 2 0 319.493 2.333 20 30 DEEDRP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254671754 1143309469 /nfs/dbraw/zinc/30/94/69/1143309469.db2.gz UDYJJZQGCIUEGT-MSOLQXFVSA-N 2 0 306.498 2.418 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC001342741015 1143833890 /nfs/dbraw/zinc/83/38/90/1143833890.db2.gz OXMPVDZTASTDCQ-LPHOPBHVSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263170023 1144359644 /nfs/dbraw/zinc/35/96/44/1144359644.db2.gz FPMLOXZPCWWMLV-ZWKOTPCHSA-N 2 0 315.461 2.308 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001263259136 1144363680 /nfs/dbraw/zinc/36/36/80/1144363680.db2.gz OGLSXILVRIRZTG-INIZCTEOSA-N 2 0 301.434 2.151 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001263902057 1144421730 /nfs/dbraw/zinc/42/17/30/1144421730.db2.gz SRMFOFZEZDRYOS-VVLHAWIVSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001264144388 1144486185 /nfs/dbraw/zinc/48/61/85/1144486185.db2.gz IYQPHQBKSIZMOY-OAGGEKHMSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001279104651 1144561608 /nfs/dbraw/zinc/56/16/08/1144561608.db2.gz LBGDOJDCTQXULB-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001265390806 1144701541 /nfs/dbraw/zinc/70/15/41/1144701541.db2.gz OBBONSHDBHECMF-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265595264 1144716519 /nfs/dbraw/zinc/71/65/19/1144716519.db2.gz VQHKKQBZKVNUFG-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265621605 1144718981 /nfs/dbraw/zinc/71/89/81/1144718981.db2.gz MUWQXUMNYPWJFY-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265696837 1144729550 /nfs/dbraw/zinc/72/95/50/1144729550.db2.gz KIZICMVFXGNTJG-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001280350543 1144836208 /nfs/dbraw/zinc/83/62/08/1144836208.db2.gz LLKWYDTXFGFSKM-YJBOKZPZSA-N 2 0 315.461 2.173 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001280777197 1144854754 /nfs/dbraw/zinc/85/47/54/1144854754.db2.gz OCAJPFBOYWZESM-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001281035863 1144869419 /nfs/dbraw/zinc/86/94/19/1144869419.db2.gz DXCVQHABESVQLY-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001281500456 1144893417 /nfs/dbraw/zinc/89/34/17/1144893417.db2.gz WFAZTAXTCZVOMG-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001281953429 1144923102 /nfs/dbraw/zinc/92/31/02/1144923102.db2.gz VHIMKCYWIZIGJC-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001281956704 1144923978 /nfs/dbraw/zinc/92/39/78/1144923978.db2.gz JSYWTORFHWTVTE-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001282030522 1144930950 /nfs/dbraw/zinc/93/09/50/1144930950.db2.gz ODFFUUJJRNWDBC-UHFFFAOYSA-N 2 0 315.461 2.075 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001316621864 1145161132 /nfs/dbraw/zinc/16/11/32/1145161132.db2.gz UAQDWUKPXFEKDQ-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001282810513 1145168843 /nfs/dbraw/zinc/16/88/43/1145168843.db2.gz JQZFBCXYFAQSFG-HUUCEWRRSA-N 2 0 313.461 2.069 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001283999023 1145743445 /nfs/dbraw/zinc/74/34/45/1145743445.db2.gz YZUDMCXVXBDUAS-HIFRSBDPSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491834916 1146907958 /nfs/dbraw/zinc/90/79/58/1146907958.db2.gz PZHAHZYHLZMECE-INIZCTEOSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491874230 1146943721 /nfs/dbraw/zinc/94/37/21/1146943721.db2.gz MKVKVWQICXDYJR-KGLIPLIRSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480680575 1146999913 /nfs/dbraw/zinc/99/99/13/1146999913.db2.gz NAWMANZTACYJLO-HNNXBMFYSA-N 2 0 313.873 2.053 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491965899 1147024748 /nfs/dbraw/zinc/02/47/48/1147024748.db2.gz VLWWLYBUJUDZPS-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001492024657 1147064836 /nfs/dbraw/zinc/06/48/36/1147064836.db2.gz ULHLSAPKEBHHGC-AWEZNQCLSA-N 2 0 315.889 2.488 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001492176950 1147119052 /nfs/dbraw/zinc/11/90/52/1147119052.db2.gz BHCGSVSAHXZEDJ-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001366333608 1147219897 /nfs/dbraw/zinc/21/98/97/1147219897.db2.gz KNVJHCPTHLMRBL-WFASDCNBSA-N 2 0 319.852 2.046 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001316812477 1147583600 /nfs/dbraw/zinc/58/36/00/1147583600.db2.gz WVRGRFPFWBGEBC-IAGOWNOFSA-N 2 0 321.509 2.203 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001316734889 1147592855 /nfs/dbraw/zinc/59/28/55/1147592855.db2.gz UGFLYXRLRYWKCI-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001316802199 1147602606 /nfs/dbraw/zinc/60/26/06/1147602606.db2.gz HSRIPRZEOWYHEG-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001316809404 1147603839 /nfs/dbraw/zinc/60/38/39/1147603839.db2.gz BRWPWCSDFMCHIA-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317037294 1147651395 /nfs/dbraw/zinc/65/13/95/1147651395.db2.gz PTDREBMXYZXXIX-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317037883 1147651406 /nfs/dbraw/zinc/65/14/06/1147651406.db2.gz BWXQDAWEMQSBJX-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001367143733 1147656213 /nfs/dbraw/zinc/65/62/13/1147656213.db2.gz XLACVDAVKGOSRA-HNNXBMFYSA-N 2 0 315.889 2.344 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001317082247 1147657647 /nfs/dbraw/zinc/65/76/47/1147657647.db2.gz LNNRXYABHRGUGU-TVFCKZIOSA-N 2 0 319.493 2.003 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001317099377 1147659432 /nfs/dbraw/zinc/65/94/32/1147659432.db2.gz CBDOBWKKZXXHSL-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001317125625 1147662755 /nfs/dbraw/zinc/66/27/55/1147662755.db2.gz GMFBNAUFGJKQQM-SCTDSRPQSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001367215927 1147665278 /nfs/dbraw/zinc/66/52/78/1147665278.db2.gz QPARFNCLBMLSCF-INIZCTEOSA-N 2 0 321.852 2.097 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317139872 1147665714 /nfs/dbraw/zinc/66/57/14/1147665714.db2.gz LQPKWOVYJDZOSW-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204301 1147676305 /nfs/dbraw/zinc/67/63/05/1147676305.db2.gz MGFLFQWUKNYBHP-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317426149 1147705830 /nfs/dbraw/zinc/70/58/30/1147705830.db2.gz FHEWFEXXAOTUEX-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317675160 1147742103 /nfs/dbraw/zinc/74/21/03/1147742103.db2.gz KREDXUHKWCPIAZ-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317848884 1147757649 /nfs/dbraw/zinc/75/76/49/1147757649.db2.gz PYMIFWRZMALMKG-KSZLIROESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317862093 1147758804 /nfs/dbraw/zinc/75/88/04/1147758804.db2.gz GMCLROWOVRZVQC-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001324656253 1147826745 /nfs/dbraw/zinc/82/67/45/1147826745.db2.gz LXOIQEDGAJYOKJ-NVXWUHKLSA-N 2 0 304.438 2.381 20 30 DEEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324944535 1147860907 /nfs/dbraw/zinc/86/09/07/1147860907.db2.gz RMZJELUBGNDXLC-IBGZPJMESA-N 2 0 324.428 2.108 20 30 DEEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324944537 1147861107 /nfs/dbraw/zinc/86/11/07/1147861107.db2.gz RMZJELUBGNDXLC-LJQANCHMSA-N 2 0 324.428 2.108 20 30 DEEDRP C[N@H+](CCOCCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000339060033 529922343 /nfs/dbraw/zinc/92/23/43/529922343.db2.gz MPIJXYUEHFYAJA-UHFFFAOYSA-N 2 0 302.422 2.160 20 30 DEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181691921 199339516 /nfs/dbraw/zinc/33/95/16/199339516.db2.gz LJFGRYSBLZXFKN-IRXDYDNUSA-N 2 0 314.477 2.482 20 30 DEEDRP C=CCC1([NH2+]CC(=O)NC2CC[NH+](CC)CC2)CCCCC1 ZINC000625937547 365963345 /nfs/dbraw/zinc/96/33/45/365963345.db2.gz FECKHCFRNACQCK-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP Cc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000618193516 363410572 /nfs/dbraw/zinc/41/05/72/363410572.db2.gz SNYQNYGOQJOFIY-SFHVURJKSA-N 2 0 312.461 2.125 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001100405782 1151855716 /nfs/dbraw/zinc/85/57/16/1151855716.db2.gz MKKDUBXVQWLOGN-LEOMRAHMSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000592526842 357895445 /nfs/dbraw/zinc/89/54/45/357895445.db2.gz ORDGERYFWNRIJP-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660599506 540310954 /nfs/dbraw/zinc/31/09/54/540310954.db2.gz KDTZTKJXLFUECW-MRXNPFEDSA-N 2 0 322.497 2.199 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000593323917 358054414 /nfs/dbraw/zinc/05/44/14/358054414.db2.gz SXWYPIWOTZLYPH-HKUYNNGSSA-N 2 0 312.461 2.240 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000593323919 358054675 /nfs/dbraw/zinc/05/46/75/358054675.db2.gz SXWYPIWOTZLYPH-MJGOQNOKSA-N 2 0 312.461 2.240 20 30 DEEDRP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594442036 358272763 /nfs/dbraw/zinc/27/27/63/358272763.db2.gz ZTHWIMQJUORUPT-SJORKVTESA-N 2 0 322.497 2.270 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237562487 202285511 /nfs/dbraw/zinc/28/55/11/202285511.db2.gz JCVBSEBHOAEOMS-YOEHRIQHSA-N 2 0 301.434 2.089 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000669385677 540823393 /nfs/dbraw/zinc/82/33/93/540823393.db2.gz VUWIHQDUHBCCRS-IAGOWNOFSA-N 2 0 322.497 2.126 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)c(Cl)c1 ZINC001232120074 781955281 /nfs/dbraw/zinc/95/52/81/781955281.db2.gz LYNCSBMUTBCWQY-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304811487 285340012 /nfs/dbraw/zinc/34/00/12/285340012.db2.gz XGBUKWKKURDHEK-GZBFAFLISA-N 2 0 324.494 2.070 20 30 DEEDRP CC1CCN(C(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000122481034 402080435 /nfs/dbraw/zinc/08/04/35/402080435.db2.gz YYADNAVYBOOWKG-UHFFFAOYSA-N 2 0 318.465 2.174 20 30 DEEDRP C=CC[C@@H](CO)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186687650 402455440 /nfs/dbraw/zinc/45/54/40/402455440.db2.gz BEHRQUXHXZLWQE-VJANTYMQSA-N 2 0 300.446 2.424 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000171716929 402613552 /nfs/dbraw/zinc/61/35/52/402613552.db2.gz PRKVZWIBRMMIHZ-UHFFFAOYSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000171739094 402616883 /nfs/dbraw/zinc/61/68/83/402616883.db2.gz WUGQIXUCBKJSHR-UHFFFAOYSA-N 2 0 322.497 2.010 20 30 DEEDRP C=CCOc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282502335 403155336 /nfs/dbraw/zinc/15/53/36/403155336.db2.gz WVCDARYCCFDKGZ-UHFFFAOYSA-N 2 0 317.477 2.367 20 30 DEEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000305078365 403823163 /nfs/dbraw/zinc/82/31/63/403823163.db2.gz LRPZBYHYRRFFKB-BQFCYCMXSA-N 2 0 310.482 2.135 20 30 DEEDRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238312 404000376 /nfs/dbraw/zinc/00/03/76/404000376.db2.gz ISJYEPNJMIBFIJ-UNEWFSDZSA-N 2 0 316.424 2.206 20 30 DEEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccn3ccnc3c2)C[C@H]1C ZINC000329009471 404199264 /nfs/dbraw/zinc/19/92/64/404199264.db2.gz DDMZXEIBELHIDW-KGLIPLIRSA-N 2 0 315.421 2.163 20 30 DEEDRP N#CCCOCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297716560 404600857 /nfs/dbraw/zinc/60/08/57/404600857.db2.gz RKIHLCWISAOLSC-UHFFFAOYSA-N 2 0 310.401 2.287 20 30 DEEDRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424150207 405024389 /nfs/dbraw/zinc/02/43/89/405024389.db2.gz YKJUALFHNREFGE-CABCVRRESA-N 2 0 308.470 2.024 20 30 DEEDRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424150212 405024459 /nfs/dbraw/zinc/02/44/59/405024459.db2.gz YKJUALFHNREFGE-LSDHHAIUSA-N 2 0 308.470 2.024 20 30 DEEDRP CN1CC[NH+](CC2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000367671144 405120564 /nfs/dbraw/zinc/12/05/64/405120564.db2.gz OGRGWMRRRUVZNO-UHFFFAOYSA-N 2 0 306.498 2.276 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423212575 405724288 /nfs/dbraw/zinc/72/42/88/405724288.db2.gz JXBCZLLNTFMPGG-YOFSQIOKSA-N 2 0 324.472 2.395 20 30 DEEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000549761841 406591762 /nfs/dbraw/zinc/59/17/62/406591762.db2.gz WFCNQNMVFWVGJD-CQSZACIVSA-N 2 0 314.437 2.201 20 30 DEEDRP C=CC[C@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000665392977 425562093 /nfs/dbraw/zinc/56/20/93/425562093.db2.gz KOMUOEBNVQSAQC-DLBZAZTESA-N 2 0 324.513 2.256 20 30 DEEDRP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940580 425692456 /nfs/dbraw/zinc/69/24/56/425692456.db2.gz CXQKSDCBFWWKLI-HOTGVXAUSA-N 2 0 303.454 2.066 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662693353 425714314 /nfs/dbraw/zinc/71/43/14/425714314.db2.gz UGYHAFVGTAFXPH-RYQLBKOJSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CCC[NH2+]1 ZINC000662702097 425717782 /nfs/dbraw/zinc/71/77/82/425717782.db2.gz WLKHZHDBEMBGTQ-WMZOPIPTSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662739190 425726231 /nfs/dbraw/zinc/72/62/31/425726231.db2.gz DECNKCPQGRJJDC-SJLPKXTDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C/C=C/C[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000451677863 275436779 /nfs/dbraw/zinc/43/67/79/275436779.db2.gz CXXNGYPZRLCDGB-XMURRGPJSA-N 2 0 306.450 2.189 20 30 DEEDRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000263096538 277053095 /nfs/dbraw/zinc/05/30/95/277053095.db2.gz JLGWQGIFXLDGPI-HOCLYGCPSA-N 2 0 316.449 2.146 20 30 DEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000583360687 332352804 /nfs/dbraw/zinc/35/28/04/332352804.db2.gz DKMMMIKSVONKTM-AYOQOUSVSA-N 2 0 313.445 2.425 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC001357428316 1152297470 /nfs/dbraw/zinc/29/74/70/1152297470.db2.gz LSBAZCHHCDFJIR-LSDHHAIUSA-N 2 0 317.433 2.026 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001330229308 1149074213 /nfs/dbraw/zinc/07/42/13/1149074213.db2.gz DJMHHISFMASKOA-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP CNC(NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)=[NH+]C ZINC000262040686 526343990 /nfs/dbraw/zinc/34/39/90/526343990.db2.gz RWONCXRVOWGJTH-SMDDNHRTSA-N 2 0 312.820 2.267 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCc1ccccc1OCC[NH+](CC)CC ZINC000264101816 526575443 /nfs/dbraw/zinc/57/54/43/526575443.db2.gz OJGYWWSJPHGRHG-UHFFFAOYSA-N 2 0 318.465 2.388 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264122946 526575949 /nfs/dbraw/zinc/57/59/49/526575949.db2.gz VPZDVSRMYQBPIN-QGZVFWFLSA-N 2 0 300.450 2.031 20 30 DEEDRP CC(C)[NH+]=C(NCCc1ccco1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262702143 527383599 /nfs/dbraw/zinc/38/35/99/527383599.db2.gz ZJPZWOHNIFZERN-MRXNPFEDSA-N 2 0 316.449 2.122 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000267849492 528032043 /nfs/dbraw/zinc/03/20/43/528032043.db2.gz KWFGXMMHFVPEFB-QGZVFWFLSA-N 2 0 318.465 2.259 20 30 DEEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262680334 528231900 /nfs/dbraw/zinc/23/19/00/528231900.db2.gz VTMFNRZEKPONPW-HOCLYGCPSA-N 2 0 316.449 2.289 20 30 DEEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264294225 529349964 /nfs/dbraw/zinc/34/99/64/529349964.db2.gz QFYZDRCRLSEPMF-CQSZACIVSA-N 2 0 306.454 2.220 20 30 DEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001327528611 1148580507 /nfs/dbraw/zinc/58/05/07/1148580507.db2.gz BOVKDVINOIJAPU-IEBWSBKVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484800 625476748 /nfs/dbraw/zinc/47/67/48/625476748.db2.gz JNYUMRDGSFHKLW-CABCVRRESA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025523269 625499529 /nfs/dbraw/zinc/49/95/29/625499529.db2.gz LCIMEGUMFNENEU-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001026534223 625506279 /nfs/dbraw/zinc/50/62/79/625506279.db2.gz YIJZJJHVEURJBK-ABHNRTSZSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000970681367 623614701 /nfs/dbraw/zinc/61/47/01/623614701.db2.gz LMCXNUQOJKMKRJ-HNNXBMFYSA-N 2 0 324.428 2.499 20 30 DEEDRP 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 624860247 /nfs/dbraw/zinc/86/02/47/624860247.db2.gz KCCDWSHQSHKNGI-JKIFEVAISA-N 2 0 311.445 2.012 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023402663 625254633 /nfs/dbraw/zinc/25/46/33/625254633.db2.gz QKUAZRXWHVUIGN-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007498362 625274717 /nfs/dbraw/zinc/27/47/17/625274717.db2.gz KGDFKOJMBNBKSF-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001024576697 625900193 /nfs/dbraw/zinc/90/01/93/625900193.db2.gz YITCPXBQXMOOGJ-GOSISDBHSA-N 2 0 322.412 2.090 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024613948 625930044 /nfs/dbraw/zinc/93/00/44/625930044.db2.gz DVBXVRFCADQDSP-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996299937 633232089 /nfs/dbraw/zinc/23/20/89/633232089.db2.gz HCGYAGWJSVEPGT-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000996669635 633343971 /nfs/dbraw/zinc/34/39/71/633343971.db2.gz QYPCYCWCGAFTGR-KRWDZBQOSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997100359 633578003 /nfs/dbraw/zinc/57/80/03/633578003.db2.gz MIVAWZGFWPJFOV-UHFFFAOYSA-N 2 0 301.434 2.128 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3csc(C#N)c3)CC2)CC1 ZINC000921627391 633824814 /nfs/dbraw/zinc/82/48/14/633824814.db2.gz HYIDKPXYCIFLKE-UHFFFAOYSA-N 2 0 318.490 2.268 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977216768 633881525 /nfs/dbraw/zinc/88/15/25/633881525.db2.gz OKHXOURKMPBZNJ-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997612366 633899725 /nfs/dbraw/zinc/89/97/25/633899725.db2.gz GHLOSZJHPIVIET-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001027609996 634279409 /nfs/dbraw/zinc/27/94/09/634279409.db2.gz HLRQUYPHYLXPGU-ZBFHGGJFSA-N 2 0 304.438 2.087 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980187064 634884401 /nfs/dbraw/zinc/88/44/01/634884401.db2.gz QFPFZLQERNPOEY-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980189464 634885519 /nfs/dbraw/zinc/88/55/19/634885519.db2.gz WVSLRGGTQBJKCL-KSZLIROESA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027963555 635095764 /nfs/dbraw/zinc/09/57/64/635095764.db2.gz AVBIBWTUABZSBV-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992517 635186043 /nfs/dbraw/zinc/18/60/43/635186043.db2.gz BTRADPBMXYCJAF-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981153416 635334965 /nfs/dbraw/zinc/33/49/65/635334965.db2.gz ZRYVJMVLFMCRIY-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001086355 635403585 /nfs/dbraw/zinc/40/35/85/635403585.db2.gz KYIUYIIDQHNMIM-WMZOPIPTSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001925334 635578653 /nfs/dbraw/zinc/57/86/53/635578653.db2.gz PFUGGQDLDLUEDO-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981741139 635622110 /nfs/dbraw/zinc/62/21/10/635622110.db2.gz RVSDWLXOFGWZAR-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982152027 635891052 /nfs/dbraw/zinc/89/10/52/635891052.db2.gz PZOTVUGZFZOTIR-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003374640 635945223 /nfs/dbraw/zinc/94/52/23/635945223.db2.gz BZRZDYWRFSOJEY-QGZVFWFLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774537 636122622 /nfs/dbraw/zinc/12/26/22/636122622.db2.gz BAUBDLWHLMZFES-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001004498443 636470218 /nfs/dbraw/zinc/47/02/18/636470218.db2.gz HLCMVGLSIBFUMG-QGZVFWFLSA-N 2 0 316.449 2.162 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028766197 636718452 /nfs/dbraw/zinc/71/84/52/636718452.db2.gz OCBRZVGGOYVWOV-OAHLLOKOSA-N 2 0 319.449 2.359 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187055761 636907343 /nfs/dbraw/zinc/90/73/43/636907343.db2.gz ARVLTQGAXWXFRV-QGZVFWFLSA-N 2 0 300.450 2.377 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871927 636917992 /nfs/dbraw/zinc/91/79/92/636917992.db2.gz RPUDEWUVEXPEGU-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH+]1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000895808886 638200819 /nfs/dbraw/zinc/20/08/19/638200819.db2.gz WINAMEGKNFBWRM-UHFFFAOYSA-N 2 0 324.384 2.383 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985442716 639412989 /nfs/dbraw/zinc/41/29/89/639412989.db2.gz QQSQXIPBZZGVSG-UKRRQHHQSA-N 2 0 313.873 2.002 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2C)CC1 ZINC000909613088 639497342 /nfs/dbraw/zinc/49/73/42/639497342.db2.gz IHUSSEWTPSDRER-UHFFFAOYSA-N 2 0 313.445 2.340 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985803580 639644604 /nfs/dbraw/zinc/64/46/04/639644604.db2.gz GKDOGUQWTDBKLU-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000986954858 640024911 /nfs/dbraw/zinc/02/49/11/640024911.db2.gz DYBSPJIALHSTTN-QAPCUYQASA-N 2 0 315.461 2.169 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC000763044704 640495103 /nfs/dbraw/zinc/49/51/03/640495103.db2.gz QFWIBRZGRGZJJG-MRXNPFEDSA-N 2 0 307.482 2.286 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989451530 641011802 /nfs/dbraw/zinc/01/18/02/641011802.db2.gz TXYKTVHAHCNLJR-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728098 641211747 /nfs/dbraw/zinc/21/17/47/641211747.db2.gz AXBUEENHJYGJQW-CALCHBBNSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738463 641215028 /nfs/dbraw/zinc/21/50/28/641215028.db2.gz BOGUTNXEONXVTH-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000899957129 642222408 /nfs/dbraw/zinc/22/24/08/642222408.db2.gz IIRLRRYXACLMLJ-INIZCTEOSA-N 2 0 319.449 2.431 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000900014016 642237229 /nfs/dbraw/zinc/23/72/29/642237229.db2.gz VCRSPNMVADGHKC-GOSISDBHSA-N 2 0 317.477 2.476 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000900157180 642282203 /nfs/dbraw/zinc/28/22/03/642282203.db2.gz CKEMCZLZZDOIKP-UHFFFAOYSA-N 2 0 315.461 2.407 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900179065 642282296 /nfs/dbraw/zinc/28/22/96/642282296.db2.gz FLKYERMDVNGCKK-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP N#CC1CCC(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC000903506436 643367247 /nfs/dbraw/zinc/36/72/47/643367247.db2.gz ULMFHBHWWOOQQY-JVPGXQPFSA-N 2 0 316.493 2.217 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000908206256 644783310 /nfs/dbraw/zinc/78/33/10/644783310.db2.gz GJNKDYLSNOMPMU-MRXNPFEDSA-N 2 0 307.413 2.053 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000843813757 651034338 /nfs/dbraw/zinc/03/43/38/651034338.db2.gz FSOTUYBMKDEYLH-QAPCUYQASA-N 2 0 315.461 2.131 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991619179 646547599 /nfs/dbraw/zinc/54/75/99/646547599.db2.gz FAJIUISTOYODNO-FUHWJXTLSA-N 2 0 310.401 2.247 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000991992955 646823152 /nfs/dbraw/zinc/82/31/52/646823152.db2.gz HCIUNWVMHPVABZ-JENIJYKNSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992189937 646894897 /nfs/dbraw/zinc/89/48/97/646894897.db2.gz OEZQBMALTHVRFI-LZLYRXPVSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992475493 647050172 /nfs/dbraw/zinc/05/01/72/647050172.db2.gz JTFIJPBYUQNDMO-SOLBZPMBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]21 ZINC000992668831 647182342 /nfs/dbraw/zinc/18/23/42/647182342.db2.gz PNPFQYIHVBRWJM-ARFHVFGLSA-N 2 0 316.449 2.135 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000992759321 647228626 /nfs/dbraw/zinc/22/86/26/647228626.db2.gz SBARMXWIESGGJF-IXDOHACOSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC000992833928 647296345 /nfs/dbraw/zinc/29/63/45/647296345.db2.gz MKKVHFJFMSBOCE-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCSC2(CCCCC2)C1 ZINC000153566583 647514557 /nfs/dbraw/zinc/51/45/57/647514557.db2.gz FJRZFFQLWOVTTF-HNNXBMFYSA-N 2 0 324.538 2.265 20 30 DEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000818968507 647553018 /nfs/dbraw/zinc/55/30/18/647553018.db2.gz CKFNFHSVSZHTNS-QGZVFWFLSA-N 2 0 301.434 2.444 20 30 DEEDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819107573 647584214 /nfs/dbraw/zinc/58/42/14/647584214.db2.gz ZWSMCWXMNUHWSH-GOSISDBHSA-N 2 0 301.434 2.303 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480600 647683834 /nfs/dbraw/zinc/68/38/34/647683834.db2.gz QGLRGGBQAJTCQH-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000917141820 647975310 /nfs/dbraw/zinc/97/53/10/647975310.db2.gz KJVCZHNOCDVWAI-KRWDZBQOSA-N 2 0 322.497 2.009 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745656 648932812 /nfs/dbraw/zinc/93/28/12/648932812.db2.gz RUCYIEDMEORQOY-IAGOWNOFSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745719 648932847 /nfs/dbraw/zinc/93/28/47/648932847.db2.gz SVRRKAOZDCWSPG-IRXDYDNUSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940745766 648932869 /nfs/dbraw/zinc/93/28/69/648932869.db2.gz USQDFRSBGAQXKE-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940864642 648957508 /nfs/dbraw/zinc/95/75/08/648957508.db2.gz LPSYVXSJMVLENL-MRXNPFEDSA-N 2 0 312.417 2.351 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000948426450 649193089 /nfs/dbraw/zinc/19/30/89/649193089.db2.gz YERTXDKURFBRKS-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943514986 649386995 /nfs/dbraw/zinc/38/69/95/649386995.db2.gz DRZNZZNOMFUXSI-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1F ZINC000848413444 651457211 /nfs/dbraw/zinc/45/72/11/651457211.db2.gz DWEJKUVEGIBFOD-HNNXBMFYSA-N 2 0 306.385 2.237 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000848987114 651572328 /nfs/dbraw/zinc/57/23/28/651572328.db2.gz QLXJECZJHLWTEI-INIZCTEOSA-N 2 0 306.454 2.455 20 30 DEEDRP CC[NH+]1CCC(C[NH+]=C(NCc2ccccc2)N(C)C)CC1 ZINC000848996309 651575790 /nfs/dbraw/zinc/57/57/90/651575790.db2.gz SGLLUWVFPPUTFC-UHFFFAOYSA-N 2 0 302.466 2.426 20 30 DEEDRP C#CC[C@@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000858336005 652310659 /nfs/dbraw/zinc/31/06/59/652310659.db2.gz RMQHQUUDBOWEIW-SFHVURJKSA-N 2 0 316.445 2.289 20 30 DEEDRP C=CC[C@@H]1CCCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853536561 652564914 /nfs/dbraw/zinc/56/49/14/652564914.db2.gz DREISUGCDRNDHB-CRAIPNDOSA-N 2 0 319.449 2.149 20 30 DEEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000305039047 685265387 /nfs/dbraw/zinc/26/53/87/685265387.db2.gz UPDFGTTVVVSWGM-QGZVFWFLSA-N 2 0 302.466 2.111 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154774 693865199 /nfs/dbraw/zinc/86/51/99/693865199.db2.gz VQZILXFAGXLUSN-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192385 693875748 /nfs/dbraw/zinc/87/57/48/693875748.db2.gz WNMIUPIWHXHLOX-IEBWSBKVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054197881 693879987 /nfs/dbraw/zinc/87/99/87/693879987.db2.gz KVMVPRJCVKDBAY-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000303768135 685233059 /nfs/dbraw/zinc/23/30/59/685233059.db2.gz ACBZNWOZRNIKTB-KRWDZBQOSA-N 2 0 318.465 2.332 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303722587 685233283 /nfs/dbraw/zinc/23/32/83/685233283.db2.gz YJBGIHMTSRSPGS-HNNXBMFYSA-N 2 0 310.486 2.114 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000303789085 685235647 /nfs/dbraw/zinc/23/56/47/685235647.db2.gz VAWGODCHQSVNHB-QGZVFWFLSA-N 2 0 314.477 2.497 20 30 DEEDRP CCOCCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000303789015 685235671 /nfs/dbraw/zinc/23/56/71/685235671.db2.gz UYZOSXCNPJZAGN-AWEZNQCLSA-N 2 0 324.494 2.216 20 30 DEEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCC(C)CC1 ZINC000303908554 685239491 /nfs/dbraw/zinc/23/94/91/685239491.db2.gz XPHMOGFWMPRIIO-OAHLLOKOSA-N 2 0 312.527 2.106 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016687261 687682550 /nfs/dbraw/zinc/68/25/50/687682550.db2.gz GFRRHPJFZUQSKK-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017655734 687933345 /nfs/dbraw/zinc/93/33/45/687933345.db2.gz IMICFBDEJFQFFQ-CALCHBBNSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000998 688548962 /nfs/dbraw/zinc/54/89/62/688548962.db2.gz NMTHPZJBWGMZBJ-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032043140 689048320 /nfs/dbraw/zinc/04/83/20/689048320.db2.gz VWTMJTXTFHOVRD-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129360 689068070 /nfs/dbraw/zinc/06/80/70/689068070.db2.gz WRLRXUFQCHKIAV-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCN1CCN(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1=O ZINC000872744206 689081817 /nfs/dbraw/zinc/08/18/17/689081817.db2.gz RFUJGRGWAQSEKK-UHFFFAOYSA-N 2 0 322.497 2.167 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001032445449 689153623 /nfs/dbraw/zinc/15/36/23/689153623.db2.gz GTRCGFHPGBIJJW-ULQDDVLXSA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143969 689403044 /nfs/dbraw/zinc/40/30/44/689403044.db2.gz OWFYUEAVGVXQIJ-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228278 689432100 /nfs/dbraw/zinc/43/21/00/689432100.db2.gz KCQHXMSGTDKLRJ-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359458 689476232 /nfs/dbraw/zinc/47/62/32/689476232.db2.gz ZOVCXHXPOZVRHJ-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687142 689584109 /nfs/dbraw/zinc/58/41/09/689584109.db2.gz YSLKHONKAJZCFW-KRWDZBQOSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687143 689584833 /nfs/dbraw/zinc/58/48/33/689584833.db2.gz YSLKHONKAJZCFW-QGZVFWFLSA-N 2 0 315.461 2.471 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034213416 689765624 /nfs/dbraw/zinc/76/56/24/689765624.db2.gz XVPUEPASLBWHFT-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290426 689796642 /nfs/dbraw/zinc/79/66/42/689796642.db2.gz GHPOIBPWQWOEJJ-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290951 689797743 /nfs/dbraw/zinc/79/77/43/689797743.db2.gz KWXNFKYDSJOQMD-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCCC)C2)CC1 ZINC001034538864 689890848 /nfs/dbraw/zinc/89/08/48/689890848.db2.gz SYCKJLFWRYTFJI-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000876708809 689910627 /nfs/dbraw/zinc/91/06/27/689910627.db2.gz BHJUWFMQETVHLB-KGLIPLIRSA-N 2 0 313.804 2.015 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000876708810 689910699 /nfs/dbraw/zinc/91/06/99/689910699.db2.gz BHJUWFMQETVHLB-UONOGXRCSA-N 2 0 313.804 2.015 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000876711751 689912630 /nfs/dbraw/zinc/91/26/30/689912630.db2.gz DUSAUFQFEKWMCR-MRXNPFEDSA-N 2 0 321.852 2.369 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001034642550 689917085 /nfs/dbraw/zinc/91/70/85/689917085.db2.gz HCCCGNFFDQRSKP-VQHPVUNQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1)C(C)C ZINC000876726464 689917781 /nfs/dbraw/zinc/91/77/81/689917781.db2.gz HNYKDERBFQSPLC-IHVSBYRNSA-N 2 0 319.493 2.357 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000876736362 689921368 /nfs/dbraw/zinc/92/13/68/689921368.db2.gz KAPFDNRKGBLYPS-OBJOEFQTSA-N 2 0 315.889 2.329 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000876873976 689960528 /nfs/dbraw/zinc/96/05/28/689960528.db2.gz WYMGYMVWQQMNCG-OAHLLOKOSA-N 2 0 309.841 2.047 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035227641 690067070 /nfs/dbraw/zinc/06/70/70/690067070.db2.gz TYMNALCQARWMDK-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233515 690068827 /nfs/dbraw/zinc/06/88/27/690068827.db2.gz GIZCUFCNQCFDOP-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035247003 690072917 /nfs/dbraw/zinc/07/29/17/690072917.db2.gz RXBFVDKUUWGQGJ-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035798096 690179136 /nfs/dbraw/zinc/17/91/36/690179136.db2.gz LKHPFPQOFCIKTM-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001036092389 690257817 /nfs/dbraw/zinc/25/78/17/690257817.db2.gz DBQUYXDAXJMMCU-GUYCJALGSA-N 2 0 312.417 2.269 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001036093710 690258540 /nfs/dbraw/zinc/25/85/40/690258540.db2.gz FWHDJNNJRJLYSS-WBVHZDCISA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001036240578 690299368 /nfs/dbraw/zinc/29/93/68/690299368.db2.gz LCRYKZLYNSFUGF-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036763181 690464047 /nfs/dbraw/zinc/46/40/47/690464047.db2.gz WPKLRWXNAZWZIW-SJLPKXTDSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820581 690485434 /nfs/dbraw/zinc/48/54/34/690485434.db2.gz LHKYGCIBNGHRFR-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC ZINC001037876708 690630590 /nfs/dbraw/zinc/63/05/90/690630590.db2.gz QHVOUBKXADIUPM-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038815526 690932332 /nfs/dbraw/zinc/93/23/32/690932332.db2.gz FYCNKOQCAXBSOO-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040243824 691218989 /nfs/dbraw/zinc/21/89/89/691218989.db2.gz CBLJQPNKDVAILB-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040251355 691220799 /nfs/dbraw/zinc/22/07/99/691220799.db2.gz XHMXGFNDGYNCNT-HKUYNNGSSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040262760 691222656 /nfs/dbraw/zinc/22/26/56/691222656.db2.gz UYDJJMLCOKSPOR-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040531622 691262443 /nfs/dbraw/zinc/26/24/43/691262443.db2.gz QKNDJPUXNMEWQJ-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001040829973 691290758 /nfs/dbraw/zinc/29/07/58/691290758.db2.gz IXLHSCIXEXKDGR-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276215 691354489 /nfs/dbraw/zinc/35/44/89/691354489.db2.gz ISXOGSOCKGTWPN-PKOBYXMFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357414 691366658 /nfs/dbraw/zinc/36/66/58/691366658.db2.gz HFDWKKIHFVWQBV-IEBWSBKVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041588898 691398360 /nfs/dbraw/zinc/39/83/60/691398360.db2.gz ZVFYLEUYSBESJN-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757449 691424862 /nfs/dbraw/zinc/42/48/62/691424862.db2.gz WBPDCIWMBAVYGC-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001042095918 691507760 /nfs/dbraw/zinc/50/77/60/691507760.db2.gz RPDCRLDVUGKEIS-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045438731 691981036 /nfs/dbraw/zinc/98/10/36/691981036.db2.gz WFGMRYZTITUXCL-INIZCTEOSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000886209819 692024691 /nfs/dbraw/zinc/02/46/91/692024691.db2.gz VWFHAHYBMQQTCC-GOSISDBHSA-N 2 0 303.494 2.471 20 30 DEEDRP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947243 692060164 /nfs/dbraw/zinc/06/01/64/692060164.db2.gz JPLWJWJRAIPCDA-IEBWSBKVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369134 692168085 /nfs/dbraw/zinc/16/80/85/692168085.db2.gz POROFRDAGIQUHM-WMZOPIPTSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450330 692190641 /nfs/dbraw/zinc/19/06/41/692190641.db2.gz SEPCJJYZEKJJKP-SFHVURJKSA-N 2 0 312.417 2.495 20 30 DEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000887132722 692287616 /nfs/dbraw/zinc/28/76/16/692287616.db2.gz LRORCSDIJAAYKI-HNAYVOBHSA-N 2 0 322.412 2.197 20 30 DEEDRP 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 692648434 /nfs/dbraw/zinc/64/84/34/692648434.db2.gz RXBHRDMINBKNBA-IECFSIQFSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820870 692703985 /nfs/dbraw/zinc/70/39/85/692703985.db2.gz RLLYOVQCUZOPJG-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165670 692778180 /nfs/dbraw/zinc/77/81/80/692778180.db2.gz XUERBETZFIQHLB-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516622 692908031 /nfs/dbraw/zinc/90/80/31/692908031.db2.gz DTKUXTVKKBUBCM-HOTGVXAUSA-N 2 0 305.466 2.112 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589647 692933015 /nfs/dbraw/zinc/93/30/15/692933015.db2.gz AFJSNMBKQHKYOT-ZWKOTPCHSA-N 2 0 322.412 2.037 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615455 692940864 /nfs/dbraw/zinc/94/08/64/692940864.db2.gz KCSJPADCBROVDI-RCCFBDPRSA-N 2 0 317.477 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671619 692961256 /nfs/dbraw/zinc/96/12/56/692961256.db2.gz LXZGAURQICEJIV-WNRNVDISSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049724872 692977526 /nfs/dbraw/zinc/97/75/26/692977526.db2.gz UGBMZRPPGWZTLW-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049805364 693005986 /nfs/dbraw/zinc/00/59/86/693005986.db2.gz JNUSHDWLULJUBH-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052425938 693532138 /nfs/dbraw/zinc/53/21/38/693532138.db2.gz HQQXFGGEJJQSHF-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052425939 693532313 /nfs/dbraw/zinc/53/23/13/693532313.db2.gz HQQXFGGEJJQSHF-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515294 693555088 /nfs/dbraw/zinc/55/50/88/693555088.db2.gz CRGPGAFDAOLIPQ-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515823 693555603 /nfs/dbraw/zinc/55/56/03/693555603.db2.gz JWTGZOBVDCURJQ-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838024 693629776 /nfs/dbraw/zinc/62/97/76/693629776.db2.gz ZCZVGHKHGYDOPG-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108476 693690610 /nfs/dbraw/zinc/69/06/10/693690610.db2.gz UTBCFHIVOZVPHR-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108477 693691200 /nfs/dbraw/zinc/69/12/00/693691200.db2.gz UTBCFHIVOZVPHR-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357363125 1152292929 /nfs/dbraw/zinc/29/29/29/1152292929.db2.gz WKVDNPTVIQMNKE-ROUUACIJSA-N 2 0 315.461 2.451 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357363124 1152293298 /nfs/dbraw/zinc/29/32/98/1152293298.db2.gz WKVDNPTVIQMNKE-QZTJIDSGSA-N 2 0 315.461 2.451 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001382018624 1153319932 /nfs/dbraw/zinc/31/99/32/1153319932.db2.gz IVKYQPJJSRPJPF-LSDHHAIUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001391835922 1156812996 /nfs/dbraw/zinc/81/29/96/1156812996.db2.gz DEBMSBKPQNYMSU-UHFFFAOYSA-N 2 0 323.868 2.485 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001373291131 1156937441 /nfs/dbraw/zinc/93/74/41/1156937441.db2.gz QMYGVKIACZBZNA-CABCVRRESA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001393951008 1158094407 /nfs/dbraw/zinc/09/44/07/1158094407.db2.gz OHBBLLKUVKQQFQ-RYUDHWBXSA-N 2 0 320.824 2.492 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001375745486 1158860490 /nfs/dbraw/zinc/86/04/90/1158860490.db2.gz YPVXSBFTKGLCOT-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001398838202 1161118649 /nfs/dbraw/zinc/11/86/49/1161118649.db2.gz GOHLWNSHGFOWSJ-NRXISQOPSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001405027655 1163898452 /nfs/dbraw/zinc/89/84/52/1163898452.db2.gz VGZVYGBEJSUONZ-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001406176832 1164494184 /nfs/dbraw/zinc/49/41/84/1164494184.db2.gz FNMSPAAVPRNGCW-HUUCEWRRSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001407275887 1165080488 /nfs/dbraw/zinc/08/04/88/1165080488.db2.gz UKJGNAXAPRZIDQ-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001419937203 1168961436 /nfs/dbraw/zinc/96/14/36/1168961436.db2.gz SKHBWXQRQACHCI-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001426161875 1174623695 /nfs/dbraw/zinc/62/36/95/1174623695.db2.gz JMTACQCAQIZICE-CYBMUJFWSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001436402891 1179082205 /nfs/dbraw/zinc/08/22/05/1179082205.db2.gz KYNOTFMQCPOOJV-BIQWYFBQSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001444883666 1183620448 /nfs/dbraw/zinc/62/04/48/1183620448.db2.gz SOUOEWLCTZXQPH-CQSZACIVSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072832445 790264989 /nfs/dbraw/zinc/26/49/89/790264989.db2.gz KBGMDHNNEJEYBA-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850499 790273270 /nfs/dbraw/zinc/27/32/70/790273270.db2.gz ZWRGCEQQFYWAAJ-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)C(C)C)CC1 ZINC001089260124 782334095 /nfs/dbraw/zinc/33/40/95/782334095.db2.gz YWNZVIOSEYWFLC-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001332300095 1149846443 /nfs/dbraw/zinc/84/64/43/1149846443.db2.gz DPIXOBZCYAOSBM-NVXWUHKLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001106748277 782914681 /nfs/dbraw/zinc/91/46/81/782914681.db2.gz RJULCXQLZOGAIH-BZUAXINKSA-N 2 0 318.465 2.239 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524418 783002020 /nfs/dbraw/zinc/00/20/20/783002020.db2.gz VGRLONGIQOWHPN-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111265354 783092400 /nfs/dbraw/zinc/09/24/00/783092400.db2.gz GAYIXHPNMWCNJG-KURKYZTESA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493171 783159743 /nfs/dbraw/zinc/15/97/43/783159743.db2.gz UOAWKFUXKXMXBM-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035702 790409303 /nfs/dbraw/zinc/40/93/03/790409303.db2.gz OYRNRXSRFJGSIS-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167051424 776546065 /nfs/dbraw/zinc/54/60/65/776546065.db2.gz LHEHZHJHYBJBRQ-CQSZACIVSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167093993 776652156 /nfs/dbraw/zinc/65/21/56/776652156.db2.gz ZZYFOKKZBOPGMV-MSOLQXFVSA-N 2 0 315.461 2.004 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104292268 776950427 /nfs/dbraw/zinc/95/04/27/776950427.db2.gz RQIIKFUGXBEECW-NXHRZFHOSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294418 776953077 /nfs/dbraw/zinc/95/30/77/776953077.db2.gz OTFBHOXJIYPMBD-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171062062 790540180 /nfs/dbraw/zinc/54/01/80/790540180.db2.gz YWXCUUKIHPNCQM-HUUCEWRRSA-N 2 0 301.450 2.117 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516949 777568275 /nfs/dbraw/zinc/56/82/75/777568275.db2.gz KTUBKZANXRTDFH-DWRORGKVSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171068186 790547806 /nfs/dbraw/zinc/54/78/06/790547806.db2.gz DVIVUDOOIGGQCN-CQSZACIVSA-N 2 0 321.490 2.321 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104667624 778009616 /nfs/dbraw/zinc/00/96/16/778009616.db2.gz SWDMGZJRARUULV-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCOC(=O)N1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167841068 778701211 /nfs/dbraw/zinc/70/12/11/778701211.db2.gz JXEAIXBFKDHNHQ-MRXNPFEDSA-N 2 0 311.470 2.437 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171117417 790680647 /nfs/dbraw/zinc/68/06/47/790680647.db2.gz AKRSVLWDANQUJJ-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)cnc4c3)C[C@@H]2C1 ZINC001087966579 779577977 /nfs/dbraw/zinc/57/79/77/779577977.db2.gz KFLSOVHUDRPEIG-SJORKVTESA-N 2 0 324.428 2.223 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001087986286 779605689 /nfs/dbraw/zinc/60/56/89/779605689.db2.gz FCXPRIIUZVARCM-SQNIBIBYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001087986394 779609909 /nfs/dbraw/zinc/60/99/09/779609909.db2.gz JJQOCNGNSVXZCO-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352905 780015029 /nfs/dbraw/zinc/01/50/29/780015029.db2.gz MAQXIEBXQOGYNK-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605087 780575226 /nfs/dbraw/zinc/57/52/26/780575226.db2.gz GNUYVBUGAISIQD-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518092 780731483 /nfs/dbraw/zinc/73/14/83/780731483.db2.gz QMFHMVUTAVVLGU-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088689191 780760490 /nfs/dbraw/zinc/76/04/90/780760490.db2.gz OTNMUOMAFMZWDL-PBHICJAKSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168291483 780810197 /nfs/dbraw/zinc/81/01/97/780810197.db2.gz YXOXZNFHJXHCIB-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCCC)CC2)CC1 ZINC001168320707 780836976 /nfs/dbraw/zinc/83/69/76/780836976.db2.gz LNTFWEXDTVKMCW-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320519 780837152 /nfs/dbraw/zinc/83/71/52/780837152.db2.gz AJUAAAWZNIBMHN-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037768 780960657 /nfs/dbraw/zinc/96/06/57/780960657.db2.gz WKVQDGXXGATUBB-JCYILVPMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088769077 780969211 /nfs/dbraw/zinc/96/92/11/780969211.db2.gz QDVWDRZRNRRUND-PVAVHDDUSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994947 780979271 /nfs/dbraw/zinc/97/92/71/780979271.db2.gz QTWCNMHINBEHEO-DOTOQJQBSA-N 2 0 310.401 2.057 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882539 783255306 /nfs/dbraw/zinc/25/53/06/783255306.db2.gz UXEDDNKLAWNCLA-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722612 783387243 /nfs/dbraw/zinc/38/72/43/783387243.db2.gz BABXVOFYCROGGP-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085224488 783590194 /nfs/dbraw/zinc/59/01/94/783590194.db2.gz IBJYDFPTIQTTAU-BRWVUGGUSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001085313303 783634944 /nfs/dbraw/zinc/63/49/44/783634944.db2.gz RJFSQTVOUQJZKI-HUUCEWRRSA-N 2 0 305.422 2.158 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001085433050 783681951 /nfs/dbraw/zinc/68/19/51/783681951.db2.gz JYNYIXFMRMDGST-QZTJIDSGSA-N 2 0 313.445 2.012 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905030 783811386 /nfs/dbraw/zinc/81/13/86/783811386.db2.gz WVCBGJRCVAHHBP-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001086250941 784523114 /nfs/dbraw/zinc/52/31/14/784523114.db2.gz UBLUNQMGSMGFON-IXDOHACOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968782668 784587125 /nfs/dbraw/zinc/58/71/25/784587125.db2.gz XWHNFBIALMQPLS-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968867386 784627262 /nfs/dbraw/zinc/62/72/62/784627262.db2.gz WKLIXOOCWZDQFH-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955368 784669892 /nfs/dbraw/zinc/66/98/92/784669892.db2.gz TUSMOHKGGRIJOA-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001091316881 791086886 /nfs/dbraw/zinc/08/68/86/791086886.db2.gz DYDOWQHUMLSSPM-UHFFFAOYSA-N 2 0 319.493 2.169 20 30 DEEDRP 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 785503895 /nfs/dbraw/zinc/50/38/95/785503895.db2.gz PELRVAQJWNBHJN-XHSDSOJGSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108803649 785547790 /nfs/dbraw/zinc/54/77/90/785547790.db2.gz DUWURBVIXSLVJM-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001113102351 786401447 /nfs/dbraw/zinc/40/14/47/786401447.db2.gz FDCJHBLDIUZUNR-OAHLLOKOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014438465 786586623 /nfs/dbraw/zinc/58/66/23/786586623.db2.gz TWJWRULODADVGA-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001113536190 786667431 /nfs/dbraw/zinc/66/74/31/786667431.db2.gz HWEKNAVXIHMBDJ-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113538628 786668411 /nfs/dbraw/zinc/66/84/11/786668411.db2.gz XYXZUPRQOXYCQQ-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096175549 787559535 /nfs/dbraw/zinc/55/95/35/787559535.db2.gz IUBUEBVDPHSMJA-SQNIBIBYSA-N 2 0 313.445 2.269 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107535 787934540 /nfs/dbraw/zinc/93/45/40/787934540.db2.gz ZZUIUNQAOFOVHD-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP 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 787962741 /nfs/dbraw/zinc/96/27/41/787962741.db2.gz KEMCYNMQYUFSSL-NCOADZHNSA-N 2 0 305.466 2.157 20 30 DEEDRP 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 788024648 /nfs/dbraw/zinc/02/46/48/788024648.db2.gz WNAJWHUKQOZWRX-HZMVEIRTSA-N 2 0 305.466 2.157 20 30 DEEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132366300 788043507 /nfs/dbraw/zinc/04/35/07/788043507.db2.gz ZWJCLYABMSFDJH-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097319030 788059750 /nfs/dbraw/zinc/05/97/50/788059750.db2.gz ZTTDWLMQCLDXAQ-ZACQAIPSSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549747 788127511 /nfs/dbraw/zinc/12/75/11/788127511.db2.gz ZCJPWSCMCJPNBY-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974164 788303454 /nfs/dbraw/zinc/30/34/54/788303454.db2.gz AFTLIMZVARTNDE-NCOADZHNSA-N 2 0 305.466 2.157 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133194546 788313531 /nfs/dbraw/zinc/31/35/31/788313531.db2.gz HFXSFOZNTPHHSG-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133250227 788333774 /nfs/dbraw/zinc/33/37/74/788333774.db2.gz RKTGJNJQWNDUEX-LSDHHAIUSA-N 2 0 316.449 2.021 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133253600 788342167 /nfs/dbraw/zinc/34/21/67/788342167.db2.gz KFVHDLBPPAQBDW-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274074 788346571 /nfs/dbraw/zinc/34/65/71/788346571.db2.gz AVZOZDULJKIKCK-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133313726 788365675 /nfs/dbraw/zinc/36/56/75/788365675.db2.gz JNRVBYKPZUANPA-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101853 789199628 /nfs/dbraw/zinc/19/96/28/789199628.db2.gz SCQHGQPETPAMFZ-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675981 789442739 /nfs/dbraw/zinc/44/27/39/789442739.db2.gz OGVCQUORHMSOLK-HOTGVXAUSA-N 2 0 315.461 2.258 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767507 789481108 /nfs/dbraw/zinc/48/11/08/789481108.db2.gz DUOUCMZNNXKBQJ-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCc1ccc(NC(=O)C(C)(C)C)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170897444 789643577 /nfs/dbraw/zinc/64/35/77/789643577.db2.gz HUYCNUMJVQMMNN-AWEZNQCLSA-N 2 0 319.453 2.230 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071645884 789838815 /nfs/dbraw/zinc/83/88/15/789838815.db2.gz OSPAPJGLXPQSSE-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072813203 790256510 /nfs/dbraw/zinc/25/65/10/790256510.db2.gz IJMWBUZXMGGLOT-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074648768 791259221 /nfs/dbraw/zinc/25/92/21/791259221.db2.gz IMLVVDNMKAGRKO-SOUVJXGZSA-N 2 0 313.873 2.191 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147449071 791548305 /nfs/dbraw/zinc/54/83/05/791548305.db2.gz HRFFJIBEJDBJIY-UHFFFAOYSA-N 2 0 303.878 2.347 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098187662 791588589 /nfs/dbraw/zinc/58/85/89/791588589.db2.gz BOALLSQFCUFXEQ-KURKYZTESA-N 2 0 317.477 2.016 20 30 DEEDRP 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 791635811 /nfs/dbraw/zinc/63/58/11/791635811.db2.gz AMNHPTAMPVPQLD-AOIWGVFYSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC001091715627 791741265 /nfs/dbraw/zinc/74/12/65/791741265.db2.gz CZAHPADFGQKURJ-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148605948 791775130 /nfs/dbraw/zinc/77/51/30/791775130.db2.gz YLNCMVPPMQRLGB-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956549 791863834 /nfs/dbraw/zinc/86/38/34/791863834.db2.gz PWQCXDAMTZQHAH-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975762 791916978 /nfs/dbraw/zinc/91/69/78/791916978.db2.gz XBHOVEQMXRWVOR-MJGOQNOKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100534904 792708953 /nfs/dbraw/zinc/70/89/53/792708953.db2.gz FWCMVSUFTSAWEF-VJFUWPCTSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380320 792897195 /nfs/dbraw/zinc/89/71/95/792897195.db2.gz QRDDWHCYZPVJKW-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094418990 792910259 /nfs/dbraw/zinc/91/02/59/792910259.db2.gz JVXUSCWPSYJZRH-YWTNHNAXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033279 792973958 /nfs/dbraw/zinc/97/39/58/792973958.db2.gz LEODZNXFBDMGMU-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101277301 793095973 /nfs/dbraw/zinc/09/59/73/793095973.db2.gz AXZGHODJFMCLGW-NUJGCVRESA-N 2 0 307.482 2.073 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171925140 793262523 /nfs/dbraw/zinc/26/25/23/793262523.db2.gz ZWLSGZWRFZPTLZ-QGZVFWFLSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001094961879 793518501 /nfs/dbraw/zinc/51/85/01/793518501.db2.gz LYCCYBCBRDJYCZ-LXZKKBNFSA-N 2 0 310.401 2.103 20 30 DEEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102428670 793611059 /nfs/dbraw/zinc/61/10/59/793611059.db2.gz NXWJQIPZOQEUSJ-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396763 794072124 /nfs/dbraw/zinc/07/21/24/794072124.db2.gz IQQJHRLXJWJICZ-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295924 794169764 /nfs/dbraw/zinc/16/97/64/794169764.db2.gz LJWMIRHDBIZOEI-MRXNPFEDSA-N 2 0 309.498 2.252 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782290 794479405 /nfs/dbraw/zinc/47/94/05/794479405.db2.gz CCTYNSFVWUWHKY-LNLFQRSKSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753796 794497955 /nfs/dbraw/zinc/49/79/55/794497955.db2.gz NJRATNULNRKCMX-MSOLQXFVSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815680 794505471 /nfs/dbraw/zinc/50/54/71/794505471.db2.gz SYPIBPQUAFGCFR-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112350106 794609999 /nfs/dbraw/zinc/60/99/99/794609999.db2.gz HQMNBXJHPAKWHZ-LNLFQRSKSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177265989 794627964 /nfs/dbraw/zinc/62/79/64/794627964.db2.gz BLJKWYJKESYROR-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1cncn1C ZINC001177466663 794673003 /nfs/dbraw/zinc/67/30/03/794673003.db2.gz ANKUDXMEEYZTQO-UHFFFAOYSA-N 2 0 318.465 2.147 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579368 794828768 /nfs/dbraw/zinc/82/87/68/794828768.db2.gz KPLQDBWMACCFBB-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768576 794913417 /nfs/dbraw/zinc/91/34/17/794913417.db2.gz CMSWEEUEKZQOHY-IRXDYDNUSA-N 2 0 317.477 2.045 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001115801938 794925045 /nfs/dbraw/zinc/92/50/45/794925045.db2.gz GBJSIZDKVALZLT-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001179357432 795097386 /nfs/dbraw/zinc/09/73/86/795097386.db2.gz BXIXKWVSOOKSMC-SFHVURJKSA-N 2 0 321.509 2.398 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001179357431 795097813 /nfs/dbraw/zinc/09/78/13/795097813.db2.gz BXIXKWVSOOKSMC-GOSISDBHSA-N 2 0 321.509 2.398 20 30 DEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179591252 795139863 /nfs/dbraw/zinc/13/98/63/795139863.db2.gz RJDVEMZUMMMOIA-IRXDYDNUSA-N 2 0 309.498 2.417 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120470197 795467662 /nfs/dbraw/zinc/46/76/62/795467662.db2.gz PAYWHMNJAZKNNG-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001183044088 795794595 /nfs/dbraw/zinc/79/45/95/795794595.db2.gz CEHLKFOOAVOVJF-QGZVFWFLSA-N 2 0 305.466 2.115 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184714295 796109068 /nfs/dbraw/zinc/10/90/68/796109068.db2.gz WWJHQWRCDWIMCB-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCOc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1OC ZINC001138346900 796201255 /nfs/dbraw/zinc/20/12/55/796201255.db2.gz PPCXCMCJIPSBAM-UHFFFAOYSA-N 2 0 314.429 2.235 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171769 796202406 /nfs/dbraw/zinc/20/24/06/796202406.db2.gz XYXPPFSJBOANTN-IAGOWNOFSA-N 2 0 321.509 2.062 20 30 DEEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189755288 796877682 /nfs/dbraw/zinc/87/76/82/796877682.db2.gz IKQOLFJQSRCAEA-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683718 797249550 /nfs/dbraw/zinc/24/95/50/797249550.db2.gz ITMGBUXRZSHXSV-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191923257 797285368 /nfs/dbraw/zinc/28/53/68/797285368.db2.gz RUXLIRQIBHGJLT-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192399244 797385154 /nfs/dbraw/zinc/38/51/54/797385154.db2.gz XEQKNFXEVIQCJR-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155020899 797661788 /nfs/dbraw/zinc/66/17/88/797661788.db2.gz QGQHEWCCCJMVHS-UONOGXRCSA-N 2 0 313.449 2.037 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266364 797702736 /nfs/dbraw/zinc/70/27/36/797702736.db2.gz QBTVRENUFYPQFR-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C[N@@H+]1CCC[C@@H](CCNc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001156381989 797988724 /nfs/dbraw/zinc/98/87/24/797988724.db2.gz YZHDNKYTPQKLEG-AWEZNQCLSA-N 2 0 313.449 2.133 20 30 DEEDRP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196023855 797995252 /nfs/dbraw/zinc/99/52/52/797995252.db2.gz DGQLTNBJMDMFHP-MRXNPFEDSA-N 2 0 313.461 2.167 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001196295996 798036498 /nfs/dbraw/zinc/03/64/98/798036498.db2.gz WVYFACHTFXCKRQ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197021727 798139277 /nfs/dbraw/zinc/13/92/77/798139277.db2.gz FEFOBXOXQKDITF-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157109261 798145096 /nfs/dbraw/zinc/14/50/96/798145096.db2.gz KXPLTFMZSZCWAT-MSOLQXFVSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477553 798192927 /nfs/dbraw/zinc/19/29/27/798192927.db2.gz JTWHOAFBCOKCPR-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157973540 798319596 /nfs/dbraw/zinc/31/95/96/798319596.db2.gz HJFZXDLIIQPTIA-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158491378 798416016 /nfs/dbraw/zinc/41/60/16/798416016.db2.gz PWOANGFHILFYMI-QZTJIDSGSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001201229650 798723281 /nfs/dbraw/zinc/72/32/81/798723281.db2.gz FHVGZRRHCHQXNH-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201801789 798800325 /nfs/dbraw/zinc/80/03/25/798800325.db2.gz RKBZHRRBMJBACU-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP 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 798964382 /nfs/dbraw/zinc/96/43/82/798964382.db2.gz BANNYYFKDSYNCH-HZMVEIRTSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161946834 798976041 /nfs/dbraw/zinc/97/60/41/798976041.db2.gz HFMCTXIBSZEECD-UHFFFAOYSA-N 2 0 307.482 2.431 20 30 DEEDRP N#Cc1ccc(-c2ccncc2)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162293391 799051874 /nfs/dbraw/zinc/05/18/74/799051874.db2.gz YXNZQDZJYSEWDC-UHFFFAOYSA-N 2 0 324.432 2.146 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163247061 799287699 /nfs/dbraw/zinc/28/76/99/799287699.db2.gz AOUXLYLCORSSSF-UHFFFAOYSA-N 2 0 303.450 2.076 20 30 DEEDRP 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 799598917 /nfs/dbraw/zinc/59/89/17/799598917.db2.gz NZCLPRCPPCKLAD-ICUGJSFKSA-N 2 0 319.493 2.404 20 30 DEEDRP 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 799599327 /nfs/dbraw/zinc/59/93/27/799599327.db2.gz VKMFNHBNGPRUCH-HMDCTGQHSA-N 2 0 305.466 2.014 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582716 799627226 /nfs/dbraw/zinc/62/72/26/799627226.db2.gz NSGODMYMJIWPRF-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001095498779 799632853 /nfs/dbraw/zinc/63/28/53/799632853.db2.gz DRBMZIFQRMRIMW-QZWWFDLISA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668589 799687904 /nfs/dbraw/zinc/68/79/04/799687904.db2.gz RXAFAEMPABWMLR-VSZNYVQBSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165502229 799738001 /nfs/dbraw/zinc/73/80/01/799738001.db2.gz ZOYWIORTYJMLIC-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632567 800095688 /nfs/dbraw/zinc/09/56/88/800095688.db2.gz UZWAWMLCPYWGCW-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641230 800098361 /nfs/dbraw/zinc/09/83/61/800098361.db2.gz PQWSCCSHPBSDEL-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP CC[NH+](CC)CCN1CCN(Cc2cccc(C#N)c2)CC1 ZINC001203755937 800118178 /nfs/dbraw/zinc/11/81/78/800118178.db2.gz YNDCSVGHKPAJPF-UHFFFAOYSA-N 2 0 300.450 2.018 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791396 800123838 /nfs/dbraw/zinc/12/38/38/800123838.db2.gz IEIQGUUFMCRAGC-HOTGVXAUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001203853864 800133453 /nfs/dbraw/zinc/13/34/53/800133453.db2.gz ZYCOCJQSGCOISU-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206068342 800467323 /nfs/dbraw/zinc/46/73/23/800467323.db2.gz RPZVCLKIYTWMJR-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206275713 800501104 /nfs/dbraw/zinc/50/11/04/800501104.db2.gz ZHAGYSRDRJIOPB-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206487661 800542032 /nfs/dbraw/zinc/54/20/32/800542032.db2.gz IULUOHAFUJEHTR-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207488043 800765829 /nfs/dbraw/zinc/76/58/29/800765829.db2.gz CWIFYALXCHAEKN-INIZCTEOSA-N 2 0 309.454 2.095 20 30 DEEDRP C[NH+]1CCC(CC[NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001207487479 800766338 /nfs/dbraw/zinc/76/63/38/800766338.db2.gz KIQUKLQWFKSORV-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001111160417 800854052 /nfs/dbraw/zinc/85/40/52/800854052.db2.gz WQGPMETVAZKPNV-KURKYZTESA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129117 800917394 /nfs/dbraw/zinc/91/73/94/800917394.db2.gz OYHJVPBBUPPPLW-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208340991 800959800 /nfs/dbraw/zinc/95/98/00/800959800.db2.gz SPPJILYYDHGLJY-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491514 800995255 /nfs/dbraw/zinc/99/52/55/800995255.db2.gz KJZMNANIIWOLHM-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209276803 801164153 /nfs/dbraw/zinc/16/41/53/801164153.db2.gz CKNDDONAFSNHIN-OAHLLOKOSA-N 2 0 305.422 2.112 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001229185602 801239290 /nfs/dbraw/zinc/23/92/90/801239290.db2.gz OYOBQFMSNUPJPK-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231216656 801608245 /nfs/dbraw/zinc/60/82/45/801608245.db2.gz MOXMPGFQEWIFNG-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216323887 801962624 /nfs/dbraw/zinc/96/26/24/801962624.db2.gz NYEVXDAPBKYGAC-KURKYZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234402267 802369389 /nfs/dbraw/zinc/36/93/89/802369389.db2.gz KHUDBMOWGIUNTI-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877921 802623849 /nfs/dbraw/zinc/62/38/49/802623849.db2.gz QXOABPCXMGNHQO-KZNAEPCWSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962475 802629631 /nfs/dbraw/zinc/62/96/31/802629631.db2.gz FSDQETLICLAITJ-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013641 802632718 /nfs/dbraw/zinc/63/27/18/802632718.db2.gz JOSBXOXYVHKRRD-FGTMMUONSA-N 2 0 321.509 2.441 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001223362336 802784704 /nfs/dbraw/zinc/78/47/04/802784704.db2.gz MNOUYQKOXIMHHS-INIZCTEOSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387869 802786488 /nfs/dbraw/zinc/78/64/88/802786488.db2.gz OJJOLZVDADLACM-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001224576108 802883128 /nfs/dbraw/zinc/88/31/28/802883128.db2.gz JAQKKONGYLRCTJ-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001226765788 803155086 /nfs/dbraw/zinc/15/50/86/803155086.db2.gz FPFDLPKLBIISEV-RCCFBDPRSA-N 2 0 319.493 2.290 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226800882 803162909 /nfs/dbraw/zinc/16/29/09/803162909.db2.gz PLNGUDYJEXTLNP-ZACQAIPSSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227751212 803274975 /nfs/dbraw/zinc/27/49/75/803274975.db2.gz YCANSCBBDOHNJR-IAGOWNOFSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001228138706 803324533 /nfs/dbraw/zinc/32/45/33/803324533.db2.gz WTENMKSVPQZAOB-RCCFBDPRSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001228138227 803324696 /nfs/dbraw/zinc/32/46/96/803324696.db2.gz QZACMWMCDNNSMD-RCCFBDPRSA-N 2 0 319.493 2.149 20 30 DEEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001346236317 1150956330 /nfs/dbraw/zinc/95/63/30/1150956330.db2.gz DSARTYRQDMENJF-CQSZACIVSA-N 2 0 301.217 2.181 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001501121512 1059303905 /nfs/dbraw/zinc/30/39/05/1059303905.db2.gz HYBKECXBZVTULN-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCC1 ZINC001502029373 1059884279 /nfs/dbraw/zinc/88/42/79/1059884279.db2.gz VURBKEVEVCDINT-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH2+]CCC)CC2)CC1 ZINC001502518044 1060162078 /nfs/dbraw/zinc/16/20/78/1060162078.db2.gz OEWZWSMFVVUNTE-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001502652784 1060217747 /nfs/dbraw/zinc/21/77/47/1060217747.db2.gz GCZOORYAYQMTJT-UHFFFAOYSA-N 2 0 301.434 2.146 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505430578 1060577980 /nfs/dbraw/zinc/57/79/80/1060577980.db2.gz FBDIQHSDDSXUNA-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001479302037 1061377557 /nfs/dbraw/zinc/37/75/57/1061377557.db2.gz GWBIWXAXSMWGLG-TWMKSMIVSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479307497 1061380558 /nfs/dbraw/zinc/38/05/58/1061380558.db2.gz NFSRDIUDAZBNCG-IXDOHACOSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001479527717 1061495622 /nfs/dbraw/zinc/49/56/22/1061495622.db2.gz IUPYTSUADTVVGH-ZWKOTPCHSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)CCC ZINC001479613552 1061520427 /nfs/dbraw/zinc/52/04/27/1061520427.db2.gz NEZDYSPEIZNUAH-HYVNUMGLSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)C(C)(C)C1 ZINC001506750514 1062360907 /nfs/dbraw/zinc/36/09/07/1062360907.db2.gz GMIWOWFAWRQARZ-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001507016323 1062678591 /nfs/dbraw/zinc/67/85/91/1062678591.db2.gz WQXOJOJSVCDMOS-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507358848 1063150060 /nfs/dbraw/zinc/15/00/60/1063150060.db2.gz XXIOASWPMPEQGH-AEFFLSMTSA-N 2 0 305.466 2.162 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001480823478 1063401036 /nfs/dbraw/zinc/40/10/36/1063401036.db2.gz JRKZTKQLDNGJGX-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001508031927 1063506043 /nfs/dbraw/zinc/50/60/43/1063506043.db2.gz STMDOPFYLRZNEH-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001493827252 1063979600 /nfs/dbraw/zinc/97/96/00/1063979600.db2.gz LZRLMLQCSUBQDR-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494165232 1064152291 /nfs/dbraw/zinc/15/22/91/1064152291.db2.gz CQHIXRKSOMJEPT-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001567738827 1064392493 /nfs/dbraw/zinc/39/24/93/1064392493.db2.gz SVPCBWYJFMHRAE-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567741400 1064396708 /nfs/dbraw/zinc/39/67/08/1064396708.db2.gz JTSGIDSQHVMADB-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001567752386 1064403085 /nfs/dbraw/zinc/40/30/85/1064403085.db2.gz QOKJXBJCJHALFS-AEFFLSMTSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001568004515 1064589546 /nfs/dbraw/zinc/58/95/46/1064589546.db2.gz CCNLYGYWFJEOAC-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001568112678 1064652532 /nfs/dbraw/zinc/65/25/32/1064652532.db2.gz HFIWMSTXTYHJDK-WKILWMFISA-N 2 0 305.466 2.065 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001568235372 1064720910 /nfs/dbraw/zinc/72/09/10/1064720910.db2.gz MSRKPFBIFQEGQM-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001495188362 1064750712 /nfs/dbraw/zinc/75/07/12/1064750712.db2.gz OCFFVUNCCRTNQA-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568329276 1064782471 /nfs/dbraw/zinc/78/24/71/1064782471.db2.gz VIXZGABFKMWSOY-ROUUACIJSA-N 2 0 321.509 2.415 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001568337068 1064787340 /nfs/dbraw/zinc/78/73/40/1064787340.db2.gz CXONQFYSDMNALQ-GOSISDBHSA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001568357838 1064802865 /nfs/dbraw/zinc/80/28/65/1064802865.db2.gz MKRRVLMMTINCJE-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001568358336 1064803638 /nfs/dbraw/zinc/80/36/38/1064803638.db2.gz CLECLBMQPBAGDQ-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@H]1C ZINC001495317790 1064827023 /nfs/dbraw/zinc/82/70/23/1064827023.db2.gz BRYSWIZRTBFRKB-VQIMIIECSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001568408486 1064845450 /nfs/dbraw/zinc/84/54/50/1064845450.db2.gz AGZXTZIJFGKRDF-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001568438770 1064872746 /nfs/dbraw/zinc/87/27/46/1064872746.db2.gz UEBUSEVAHDBZJF-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001495388552 1064873751 /nfs/dbraw/zinc/87/37/51/1064873751.db2.gz RKVKRWPCETWCEE-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568669856 1065036604 /nfs/dbraw/zinc/03/66/04/1065036604.db2.gz XMWDZISCJMAMNT-WMZOPIPTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001569323976 1065429709 /nfs/dbraw/zinc/42/97/09/1065429709.db2.gz NBVQDCMTOGGBCS-GOSISDBHSA-N 2 0 315.461 2.422 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569381606 1065474477 /nfs/dbraw/zinc/47/44/77/1065474477.db2.gz UGISBYHIAKLMRS-MRXNPFEDSA-N 2 0 307.482 2.243 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001569611015 1065621739 /nfs/dbraw/zinc/62/17/39/1065621739.db2.gz YYVSEAQJGJJLJW-RYQLBKOJSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001496862561 1065762549 /nfs/dbraw/zinc/76/25/49/1065762549.db2.gz KGEUWMFWPGSZHB-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001496914789 1065801391 /nfs/dbraw/zinc/80/13/91/1065801391.db2.gz ARYPTEYRTBFGGX-ZWKOTPCHSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001569914379 1065818990 /nfs/dbraw/zinc/81/89/90/1065818990.db2.gz DVULTBZZBNHNNL-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569984149 1065859434 /nfs/dbraw/zinc/85/94/34/1065859434.db2.gz QGPVDDIVDIRXRP-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570259115 1065994480 /nfs/dbraw/zinc/99/44/80/1065994480.db2.gz IMZMLLUKKNWTDV-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497699368 1066249956 /nfs/dbraw/zinc/24/99/56/1066249956.db2.gz CETZCLXALBTGOJ-WAYWQWQTSA-N 2 0 301.434 2.200 20 30 DEEDRP C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578446535 1067104151 /nfs/dbraw/zinc/10/41/51/1067104151.db2.gz ZKLUMJIKLXZPSG-MPGHIAIKSA-N 2 0 301.434 2.289 20 30 DEEDRP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267053378 1078531528 /nfs/dbraw/zinc/53/15/28/1078531528.db2.gz NPSJKUBPFFUAPT-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP N#Cc1ccc(C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066758 1067487920 /nfs/dbraw/zinc/48/79/20/1067487920.db2.gz SOFXIFMWIVNEGF-OALUTQOASA-N 2 0 311.429 2.291 20 30 DEEDRP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC001580067298 1067487955 /nfs/dbraw/zinc/48/79/55/1067487955.db2.gz NWHRNQLLNPBZMG-OAHLLOKOSA-N 2 0 303.381 2.088 20 30 DEEDRP N#Cc1ccc(N2CC[NH+](C[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC001580069547 1067489007 /nfs/dbraw/zinc/48/90/07/1067489007.db2.gz BVVKZDHRHZLJDW-SAABIXHNSA-N 2 0 312.461 2.445 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ccnc1C(C)C ZINC001570542059 1067995619 /nfs/dbraw/zinc/99/56/19/1067995619.db2.gz OCBMJGDHQYWHTF-HNNXBMFYSA-N 2 0 304.438 2.115 20 30 DEEDRP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001570825554 1068131210 /nfs/dbraw/zinc/13/12/10/1068131210.db2.gz UVHLIFKPLYRWTC-ZWKOTPCHSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267245428 1078694565 /nfs/dbraw/zinc/69/45/65/1078694565.db2.gz JUPOQGDTDBUBAB-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001571626872 1068447985 /nfs/dbraw/zinc/44/79/85/1068447985.db2.gz JEBNBSUMICZMPH-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483668163 1078766382 /nfs/dbraw/zinc/76/63/82/1078766382.db2.gz SLJHRCIUVHORLC-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001548702249 1072815938 /nfs/dbraw/zinc/81/59/38/1072815938.db2.gz GSVKGPIENZDHHC-JZXOWHBKSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267564262 1078998148 /nfs/dbraw/zinc/99/81/48/1078998148.db2.gz PDPWGDJWNKGHBR-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001272642492 1079031958 /nfs/dbraw/zinc/03/19/58/1079031958.db2.gz VEFSUWLKYQDHKP-SFHVURJKSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267583122 1079082752 /nfs/dbraw/zinc/08/27/52/1079082752.db2.gz KEJJEBLDQXTREW-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001484000891 1079237098 /nfs/dbraw/zinc/23/70/98/1079237098.db2.gz KJZRYOGZPRQDJL-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484058941 1079274532 /nfs/dbraw/zinc/27/45/32/1079274532.db2.gz ZILPVZWELQLLPZ-BQFCYCMXSA-N 2 0 307.482 2.264 20 30 DEEDRP N#Cc1ccc([C@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001646514881 1074466911 /nfs/dbraw/zinc/46/69/11/1074466911.db2.gz QTKPEQZMQBTJMZ-LJQANCHMSA-N 2 0 322.412 2.245 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001481174573 1079292336 /nfs/dbraw/zinc/29/23/36/1079292336.db2.gz RGAQNJLCSIOGDX-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484095050 1079300954 /nfs/dbraw/zinc/30/09/54/1079300954.db2.gz UHCDYXDVOBMORR-IEBWSBKVSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484161190 1079335880 /nfs/dbraw/zinc/33/58/80/1079335880.db2.gz OFIQKHRNVRFZBI-HKUYNNGSSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484161193 1079336545 /nfs/dbraw/zinc/33/65/45/1079336545.db2.gz OFIQKHRNVRFZBI-MJGOQNOKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001565867278 1075200949 /nfs/dbraw/zinc/20/09/49/1075200949.db2.gz NEPHYEMSHHLHHD-QAQDUYKDSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001565885113 1075203073 /nfs/dbraw/zinc/20/30/73/1075203073.db2.gz NTJWERUWMBRSME-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001567068596 1075426284 /nfs/dbraw/zinc/42/62/84/1075426284.db2.gz BSCGNWZBXGIADY-HNNXBMFYSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567166569 1075450118 /nfs/dbraw/zinc/45/01/18/1075450118.db2.gz GGOYEYZCZSPTOE-JKSUJKDBSA-N 2 0 324.428 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339646 1079549744 /nfs/dbraw/zinc/54/97/44/1079549744.db2.gz YXEQGVCJCSSUFM-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267889072 1079573861 /nfs/dbraw/zinc/57/38/61/1079573861.db2.gz ZMDBSBNVNGFDTE-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267929476 1079612041 /nfs/dbraw/zinc/61/20/41/1079612041.db2.gz LSMJEPCZIYTYEV-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001484569383 1079667680 /nfs/dbraw/zinc/66/76/80/1079667680.db2.gz CJPMLJJXNXEHIP-BZSNNMDCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001481333348 1079728481 /nfs/dbraw/zinc/72/84/81/1079728481.db2.gz OTKJFFZVTGUPMR-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481400931 1079787010 /nfs/dbraw/zinc/78/70/10/1079787010.db2.gz SWZHMBFGYIWNKD-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485060959 1079951764 /nfs/dbraw/zinc/95/17/64/1079951764.db2.gz OPNIREQTJDULQQ-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001481516187 1079983318 /nfs/dbraw/zinc/98/33/18/1079983318.db2.gz QCTBIWYEVCWLGG-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268068822 1080014761 /nfs/dbraw/zinc/01/47/61/1080014761.db2.gz OUJQFHOJWWLKLQ-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001656140744 1080053591 /nfs/dbraw/zinc/05/35/91/1080053591.db2.gz WAVOMVYBOKQJKI-CALCHBBNSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001656219159 1080068399 /nfs/dbraw/zinc/06/83/99/1080068399.db2.gz FATOKQBALGVSQX-BFYDXBDKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001656376735 1080082097 /nfs/dbraw/zinc/08/20/97/1080082097.db2.gz DTUZAQNOGYKDJP-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001268124224 1080090574 /nfs/dbraw/zinc/09/05/74/1080090574.db2.gz RROXTUPRFWXZQI-ZWKOTPCHSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268150428 1080123047 /nfs/dbraw/zinc/12/30/47/1080123047.db2.gz IFVMOPDHDNELLQ-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001268163307 1080140579 /nfs/dbraw/zinc/14/05/79/1080140579.db2.gz UTCKVQYDRHMILK-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268181452 1080171155 /nfs/dbraw/zinc/17/11/55/1080171155.db2.gz XSQHEQUGONSINH-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001268214533 1080200915 /nfs/dbraw/zinc/20/09/15/1080200915.db2.gz VLGXNHCJLADBMA-GVDBMIGSSA-N 2 0 309.498 2.413 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001485484060 1080234066 /nfs/dbraw/zinc/23/40/66/1080234066.db2.gz GVYUWRQRTIEIMM-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485536720 1080291316 /nfs/dbraw/zinc/29/13/16/1080291316.db2.gz BQKFFRJHKQFUBE-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485582528 1080313127 /nfs/dbraw/zinc/31/31/27/1080313127.db2.gz QNTDTCUXWVCKNG-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001485582220 1080314189 /nfs/dbraw/zinc/31/41/89/1080314189.db2.gz MXVNBXAIQCWXGB-JKSUJKDBSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001485723658 1080391312 /nfs/dbraw/zinc/39/13/12/1080391312.db2.gz GTVJFBKXQTUUAL-SJLPKXTDSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481734108 1080405109 /nfs/dbraw/zinc/40/51/09/1080405109.db2.gz DDUFXEWVJSZKGY-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268455004 1080499215 /nfs/dbraw/zinc/49/92/15/1080499215.db2.gz WUYAXSYFEZOXIN-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268458300 1080522679 /nfs/dbraw/zinc/52/26/79/1080522679.db2.gz KRLLFRZHZFWFAV-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001661788138 1080523141 /nfs/dbraw/zinc/52/31/41/1080523141.db2.gz JZCMHWHIDGTKSN-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001481880853 1080571015 /nfs/dbraw/zinc/57/10/15/1080571015.db2.gz HXAKIUAMUFVUOI-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661896499 1080542345 /nfs/dbraw/zinc/54/23/45/1080542345.db2.gz OKMCDHVIZBTGSG-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001662315297 1080595423 /nfs/dbraw/zinc/59/54/23/1080595423.db2.gz YLKSNUDTUKVAGN-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001662315298 1080596056 /nfs/dbraw/zinc/59/60/56/1080596056.db2.gz YLKSNUDTUKVAGN-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001662690651 1080635158 /nfs/dbraw/zinc/63/51/58/1080635158.db2.gz JDBGCINLUQAZSI-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481957882 1080644513 /nfs/dbraw/zinc/64/45/13/1080644513.db2.gz KTGDPRMQBHDUFC-LPHOPBHVSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC000081355676 1081090264 /nfs/dbraw/zinc/09/02/64/1081090264.db2.gz PPXQJPJAAQAWCC-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001665871362 1081091949 /nfs/dbraw/zinc/09/19/49/1081091949.db2.gz HHCDZCKMTZUHSN-QZTJIDSGSA-N 2 0 315.461 2.187 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001666157478 1081128615 /nfs/dbraw/zinc/12/86/15/1081128615.db2.gz ODCPJQGBZNEGFD-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001666389564 1081149621 /nfs/dbraw/zinc/14/96/21/1081149621.db2.gz JSPGKOSIKYWZJY-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269296863 1081203134 /nfs/dbraw/zinc/20/31/34/1081203134.db2.gz SLZROENLGLCSPW-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001269631213 1081314955 /nfs/dbraw/zinc/31/49/55/1081314955.db2.gz WHVOFNNLFXHRMW-MPGHIAIKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668883793 1081406747 /nfs/dbraw/zinc/40/67/47/1081406747.db2.gz SZYDLQGBHBBEIR-FUTAKVPZSA-N 2 0 319.493 2.479 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001270150953 1081461230 /nfs/dbraw/zinc/46/12/30/1081461230.db2.gz RRARSZTWOHVJQS-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482283064 1081509747 /nfs/dbraw/zinc/50/97/47/1081509747.db2.gz CCLJPLIXOBWKGH-CQSZACIVSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001671414313 1081516070 /nfs/dbraw/zinc/51/60/70/1081516070.db2.gz CGAXMERUVFGUMO-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001280220380 1081521885 /nfs/dbraw/zinc/52/18/85/1081521885.db2.gz XIFZFCIGUGEFQC-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001671843141 1081542864 /nfs/dbraw/zinc/54/28/64/1081542864.db2.gz SHPRWJVLWYZTJV-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001672994863 1081729679 /nfs/dbraw/zinc/72/96/79/1081729679.db2.gz LXRXPKWJNHHVHE-QAQDUYKDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001270824507 1081731066 /nfs/dbraw/zinc/73/10/66/1081731066.db2.gz YCPSSNVFPKHNAV-LJQANCHMSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001674504604 1081882846 /nfs/dbraw/zinc/88/28/46/1081882846.db2.gz FYZAZWMKCFIYRZ-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001271285530 1082004333 /nfs/dbraw/zinc/00/43/33/1082004333.db2.gz HFSJBFMVIGXSNE-KRWDZBQOSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266466725 1082056703 /nfs/dbraw/zinc/05/67/03/1082056703.db2.gz UMWDNFZQJIYLQF-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001266467991 1082057704 /nfs/dbraw/zinc/05/77/04/1082057704.db2.gz HPJPUBFOPMXZAU-OAHLLOKOSA-N 2 0 304.438 2.083 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001271765144 1082148778 /nfs/dbraw/zinc/14/87/78/1082148778.db2.gz TWUBNIRNCILBJG-XLAORIBOSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001670501868 1082156603 /nfs/dbraw/zinc/15/66/03/1082156603.db2.gz ZDDJAGJZBZTEGI-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001482533676 1082169392 /nfs/dbraw/zinc/16/93/92/1082169392.db2.gz ZRFYSCWURXHDIP-IRXDYDNUSA-N 2 0 307.482 2.025 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001271860500 1082174139 /nfs/dbraw/zinc/17/41/39/1082174139.db2.gz IFOXEZNNTHAYLR-QGZVFWFLSA-N 2 0 312.417 2.010 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001671569752 1082207998 /nfs/dbraw/zinc/20/79/98/1082207998.db2.gz MZJRCGMSZPGFGN-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001266617669 1082219787 /nfs/dbraw/zinc/21/97/87/1082219787.db2.gz SCBGIOYXXQFPQX-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001272016635 1082271930 /nfs/dbraw/zinc/27/19/30/1082271930.db2.gz SRLLIGOTUXXXJB-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482642966 1082431729 /nfs/dbraw/zinc/43/17/29/1082431729.db2.gz ZOJBDZVJZUIDNZ-HUUCEWRRSA-N 2 0 315.889 2.250 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482685327 1082481165 /nfs/dbraw/zinc/48/11/65/1082481165.db2.gz OILVGCAVZYQRGL-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438449 1083395782 /nfs/dbraw/zinc/39/57/82/1083395782.db2.gz AUIOPTUOEGSNLQ-IEBWSBKVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442766 1083398143 /nfs/dbraw/zinc/39/81/43/1083398143.db2.gz OQXGPENTCACQDB-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107615493 1083521730 /nfs/dbraw/zinc/52/17/30/1083521730.db2.gz DIKKEVVZTLZTFL-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491272580 1084201163 /nfs/dbraw/zinc/20/11/63/1084201163.db2.gz YCCZFJFRFKFMDY-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP CCCCCCC[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235205932 1084344914 /nfs/dbraw/zinc/34/49/14/1084344914.db2.gz PGMLVTVNZCBXON-UHFFFAOYSA-N 2 0 322.497 2.430 20 30 DEEDRP N#CCCC[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277943013 1084419590 /nfs/dbraw/zinc/41/95/90/1084419590.db2.gz JYQYTAAZSSLSJB-UHFFFAOYSA-N 2 0 301.438 2.391 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001486203722 1085130104 /nfs/dbraw/zinc/13/01/04/1085130104.db2.gz BFQGLDXTGKNKEG-HZPDHXFCSA-N 2 0 324.428 2.154 20 30 DEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001486515855 1085400643 /nfs/dbraw/zinc/40/06/43/1085400643.db2.gz RYGVYOKTPFDLCF-SFHVURJKSA-N 2 0 323.456 2.133 20 30 DEEDRP C=CCNC(=O)[C@H]1CC12CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001273100656 1086177121 /nfs/dbraw/zinc/17/71/21/1086177121.db2.gz ASTMYHFUZHOKPF-MRXNPFEDSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001273100678 1086177641 /nfs/dbraw/zinc/17/76/41/1086177641.db2.gz BJZCQNYVSLRQMU-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001273105589 1086201039 /nfs/dbraw/zinc/20/10/39/1086201039.db2.gz DEZOPFYEEMTEMF-JKSUJKDBSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963319156 1086406599 /nfs/dbraw/zinc/40/65/99/1086406599.db2.gz IVEWCCPPFUUPLG-OFLPRAFFSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000963338195 1086413753 /nfs/dbraw/zinc/41/37/53/1086413753.db2.gz SGHIENQDFAGGHR-SJJHQCBESA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000963933193 1086602282 /nfs/dbraw/zinc/60/22/82/1086602282.db2.gz FYSMMSOHGFCQPB-FIXVGMIGSA-N 2 0 319.493 2.167 20 30 DEEDRP C=CCN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273145117 1086868099 /nfs/dbraw/zinc/86/80/99/1086868099.db2.gz UUPOKHNUBQCFIR-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957564221 1088413026 /nfs/dbraw/zinc/41/30/26/1088413026.db2.gz YIFDQPHDYAUUNB-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCC1 ZINC001273202305 1089065123 /nfs/dbraw/zinc/06/51/23/1089065123.db2.gz SLIIHULLWRTOHG-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001080754544 1089172322 /nfs/dbraw/zinc/17/23/22/1089172322.db2.gz PBPCDOFGLVAPLD-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082783407 1090077298 /nfs/dbraw/zinc/07/72/98/1090077298.db2.gz WMRYCLURZUWIBD-ZACQAIPSSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084599740 1090342934 /nfs/dbraw/zinc/34/29/34/1090342934.db2.gz WUORQLXUCJCBKX-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 1090349005 /nfs/dbraw/zinc/34/90/05/1090349005.db2.gz PPSVMEYGBDBLNL-WNRNVDISSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084972348 1090554629 /nfs/dbraw/zinc/55/46/29/1090554629.db2.gz XURXAELAOXKWSL-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276034673 1091134069 /nfs/dbraw/zinc/13/40/69/1091134069.db2.gz AYGFXZMGDCXRAO-HDICACEKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001274412536 1091230490 /nfs/dbraw/zinc/23/04/90/1091230490.db2.gz GUAUBQSKJWWEBE-TUYSUELWSA-N 2 0 307.482 2.478 20 30 DEEDRP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274430117 1091238175 /nfs/dbraw/zinc/23/81/75/1091238175.db2.gz KJVTVTZTMZVXGR-CSLAMCDYSA-N 2 0 305.466 2.232 20 30 DEEDRP CC(C)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001275054876 1091531451 /nfs/dbraw/zinc/53/14/51/1091531451.db2.gz NMAHYPKFJBHHSM-UHFFFAOYSA-N 2 0 300.450 2.451 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275109242 1091563516 /nfs/dbraw/zinc/56/35/16/1091563516.db2.gz YDHPUHFKZYVLMM-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCCC[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273495196 1091882859 /nfs/dbraw/zinc/88/28/59/1091882859.db2.gz QCRFULPAAMYFFE-SFHVURJKSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772284 1091927035 /nfs/dbraw/zinc/92/70/35/1091927035.db2.gz VIOKDUNFWVZQIO-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001273572194 1091930319 /nfs/dbraw/zinc/93/03/19/1091930319.db2.gz VUBVTSSXTAJMQR-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001489327598 1093022260 /nfs/dbraw/zinc/02/22/60/1093022260.db2.gz AGSHGRMKCKGITN-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490197248 1093244476 /nfs/dbraw/zinc/24/44/76/1093244476.db2.gz WUHXUKRKNZHCQK-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001490774872 1093523441 /nfs/dbraw/zinc/52/34/41/1093523441.db2.gz SQGFYFFEIRSFMJ-HNNXBMFYSA-N 2 0 315.889 2.251 20 30 DEEDRP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691738523 1138257854 /nfs/dbraw/zinc/25/78/54/1138257854.db2.gz KMLNDYZEZIQNKH-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP N#Cc1cc(-c2cncc(C[NH3+])c2)ccc1OC1CC[NH2+]CC1 ZINC001239803592 1139121992 /nfs/dbraw/zinc/12/19/92/1139121992.db2.gz FFGQOBCUDJQDGW-UHFFFAOYSA-N 2 0 308.385 2.210 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001318475205 1140342672 /nfs/dbraw/zinc/34/26/72/1140342672.db2.gz YYFNHPZIYVVBQX-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001318684949 1140385551 /nfs/dbraw/zinc/38/55/51/1140385551.db2.gz CCLJPSCKAPHGRX-FUHWJXTLSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001318806093 1140423275 /nfs/dbraw/zinc/42/32/75/1140423275.db2.gz REDBUHCLNGPOOU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001318968194 1140480837 /nfs/dbraw/zinc/48/08/37/1140480837.db2.gz CUIHSQMWDKSIQC-BRWVUGGUSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001319375477 1140558261 /nfs/dbraw/zinc/55/82/61/1140558261.db2.gz YXXGOLBUJSHDTC-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319860964 1140773533 /nfs/dbraw/zinc/77/35/33/1140773533.db2.gz KBRSUGVAWYERHL-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001320090898 1140820434 /nfs/dbraw/zinc/82/04/34/1140820434.db2.gz FADLSQUJEUEBDY-IBGZPJMESA-N 2 0 315.461 2.215 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246023365 1140848549 /nfs/dbraw/zinc/84/85/49/1140848549.db2.gz RKGBOWZFMYMUKH-BBWFWOEESA-N 2 0 300.487 2.130 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246406585 1140895014 /nfs/dbraw/zinc/89/50/14/1140895014.db2.gz QUGDHVKPYLROQE-BZSNNMDCSA-N 2 0 316.424 2.100 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001278486362 1141359192 /nfs/dbraw/zinc/35/91/92/1141359192.db2.gz GAGGXSPQNPZOGN-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001278496203 1141652069 /nfs/dbraw/zinc/65/20/69/1141652069.db2.gz YNFIHHUURUMKGU-GVDBMIGSSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001323721435 1141880233 /nfs/dbraw/zinc/88/02/33/1141880233.db2.gz HRPDBONALXLNAA-GOSISDBHSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1[NH2+]CC12CCCC2)C(C)C ZINC001339768240 1143096070 /nfs/dbraw/zinc/09/60/70/1143096070.db2.gz NXUUHOQTOYOPNQ-DLBZAZTESA-N 2 0 319.493 2.333 20 30 DEEDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662232 1143303437 /nfs/dbraw/zinc/30/34/37/1143303437.db2.gz DFMLVEPFSYSWKM-YDZRNGNQSA-N 2 0 317.477 2.359 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)CCC[NH2+]1 ZINC001342761839 1143835057 /nfs/dbraw/zinc/83/50/57/1143835057.db2.gz OSHQYPSHHCLIEJ-QAPCUYQASA-N 2 0 305.466 2.052 20 30 DEEDRP N#Cc1ccc(C2CCC([NH+]3CCN(CC[NH3+])CC3)CC2)cc1 ZINC001257011232 1143879625 /nfs/dbraw/zinc/87/96/25/1143879625.db2.gz HVNCWPIJDNSCRS-UHFFFAOYSA-N 2 0 312.461 2.161 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC001263095643 1144355301 /nfs/dbraw/zinc/35/53/01/1144355301.db2.gz SHABTJIPSAPBFI-ZACQAIPSSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263849431 1144410817 /nfs/dbraw/zinc/41/08/17/1144410817.db2.gz JJVPFJXNVLJXCQ-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001264127449 1144477306 /nfs/dbraw/zinc/47/73/06/1144477306.db2.gz FTURWJGQFNCRGN-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264194832 1144504330 /nfs/dbraw/zinc/50/43/30/1144504330.db2.gz GMESRFBAFVUERZ-HZPDHXFCSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001264372557 1144516259 /nfs/dbraw/zinc/51/62/59/1144516259.db2.gz HSRPRALHRHKZNI-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001264428282 1144538117 /nfs/dbraw/zinc/53/81/17/1144538117.db2.gz PSCKYAUCAOAISF-QAQDUYKDSA-N 2 0 319.493 2.006 20 30 DEEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001353301745 1151822292 /nfs/dbraw/zinc/82/22/92/1151822292.db2.gz TUMGDAOWLKIJAT-AWEZNQCLSA-N 2 0 301.217 2.181 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001264701549 1144597198 /nfs/dbraw/zinc/59/71/98/1144597198.db2.gz YDZXREMLIIIYPY-LTIDMASMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265088244 1144640779 /nfs/dbraw/zinc/64/07/79/1144640779.db2.gz BCVYHWHNHJETIH-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001265177399 1144660821 /nfs/dbraw/zinc/66/08/21/1144660821.db2.gz RGPYSVQNNIGNND-GOSISDBHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265503105 1144707678 /nfs/dbraw/zinc/70/76/78/1144707678.db2.gz IZXFMVGVDVABGL-BRWVUGGUSA-N 2 0 301.434 2.102 20 30 DEEDRP CC#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001265526394 1144709221 /nfs/dbraw/zinc/70/92/21/1144709221.db2.gz ZOPTVIPJJLPEPN-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001265554029 1144711784 /nfs/dbraw/zinc/71/17/84/1144711784.db2.gz KOJBJOCGNLAWTR-SOLBZPMBSA-N 2 0 317.477 2.044 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001265697167 1144730148 /nfs/dbraw/zinc/73/01/48/1144730148.db2.gz PCXOSJLRGMCJGI-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001265862703 1144748842 /nfs/dbraw/zinc/74/88/42/1144748842.db2.gz HWCZZOOLRVINCC-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266067096 1144802221 /nfs/dbraw/zinc/80/22/21/1144802221.db2.gz IOZFQCLNDIAIJO-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266099382 1144805338 /nfs/dbraw/zinc/80/53/38/1144805338.db2.gz FGPYXTREXSOQQZ-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP 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 1144821886 /nfs/dbraw/zinc/82/18/86/1144821886.db2.gz RZXQPOSTUHCFCW-TVFCKZIOSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001316601186 1144831494 /nfs/dbraw/zinc/83/14/94/1144831494.db2.gz NWEKHMNAQOHCHJ-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001280129329 1144832448 /nfs/dbraw/zinc/83/24/48/1144832448.db2.gz VSXIXUUGPFIYFU-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001280356298 1144836467 /nfs/dbraw/zinc/83/64/67/1144836467.db2.gz CDCYFPIETONWPN-MAUKXSAKSA-N 2 0 315.461 2.481 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001280746997 1144852535 /nfs/dbraw/zinc/85/25/35/1144852535.db2.gz NAMSLFXAYFZMQC-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001280864500 1144860253 /nfs/dbraw/zinc/86/02/53/1144860253.db2.gz PRQTWWGVUZZRSP-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001281429965 1144888976 /nfs/dbraw/zinc/88/89/76/1144888976.db2.gz MKZZCDXGWXGZIA-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001281429966 1144889030 /nfs/dbraw/zinc/88/90/30/1144889030.db2.gz MKZZCDXGWXGZIA-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001281931967 1144920636 /nfs/dbraw/zinc/92/06/36/1144920636.db2.gz HEZYXBVAWFGNBY-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001282960077 1145215027 /nfs/dbraw/zinc/21/50/27/1145215027.db2.gz XRXNJSNUNSHQAZ-RCCFBDPRSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001283101133 1145267032 /nfs/dbraw/zinc/26/70/32/1145267032.db2.gz DKLMUPRFWOTUMA-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP Cn1cncc1C1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC001364839912 1145621824 /nfs/dbraw/zinc/62/18/24/1145621824.db2.gz ZWOXCTORDTWQPI-UHFFFAOYSA-N 2 0 323.400 2.110 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001284057608 1145779307 /nfs/dbraw/zinc/77/93/07/1145779307.db2.gz NHBZKSZNLOTZIQ-AEFFLSMTSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491834917 1146908662 /nfs/dbraw/zinc/90/86/62/1146908662.db2.gz PZHAHZYHLZMECE-MRXNPFEDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317422666 1147373608 /nfs/dbraw/zinc/37/36/08/1147373608.db2.gz IGTFDLADXOODLX-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001317050227 1147653355 /nfs/dbraw/zinc/65/33/55/1147653355.db2.gz PUDROUMWTBOWMX-HDICACEKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317179865 1147672133 /nfs/dbraw/zinc/67/21/33/1147672133.db2.gz YFOOGKJUACAACZ-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317407843 1147702379 /nfs/dbraw/zinc/70/23/79/1147702379.db2.gz ZGPJJMQGWCTIFM-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317422627 1147704905 /nfs/dbraw/zinc/70/49/05/1147704905.db2.gz HTQISNKBYIOQIM-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001317695327 1147745145 /nfs/dbraw/zinc/74/51/45/1147745145.db2.gz NJJOHOKFXIUEPY-UHFFFAOYSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317791141 1147752918 /nfs/dbraw/zinc/75/29/18/1147752918.db2.gz ZQTMUWLYIACPLK-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001317882794 1147760252 /nfs/dbraw/zinc/76/02/52/1147760252.db2.gz TVLPKOGLABGXGJ-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001318077121 1147768021 /nfs/dbraw/zinc/76/80/21/1147768021.db2.gz HVNVRUIFSVSVAK-HNNXBMFYSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318347006 1147814207 /nfs/dbraw/zinc/81/42/07/1147814207.db2.gz NNPREAWRDHSXTP-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001324752216 1147839765 /nfs/dbraw/zinc/83/97/65/1147839765.db2.gz PWVMZHIKXRZFMA-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001325656453 1147977215 /nfs/dbraw/zinc/97/72/15/1147977215.db2.gz OZQRQHYLWRTQJC-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001326379438 1148088850 /nfs/dbraw/zinc/08/88/50/1148088850.db2.gz HCUVUGBJOWHITD-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001326399181 1148092814 /nfs/dbraw/zinc/09/28/14/1148092814.db2.gz XFXZOGZOFMEXKZ-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001326899381 1148284460 /nfs/dbraw/zinc/28/44/60/1148284460.db2.gz OASHIFZTLVLXRZ-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC001326903189 1148286234 /nfs/dbraw/zinc/28/62/34/1148286234.db2.gz MNDHGKGGUMQTKV-UHFFFAOYSA-N 2 0 313.445 2.014 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)cc2C)CC1 ZINC000590764227 357604887 /nfs/dbraw/zinc/60/48/87/357604887.db2.gz OSDAYOLLOYUBPE-UHFFFAOYSA-N 2 0 314.477 2.372 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591578408 357737679 /nfs/dbraw/zinc/73/76/79/357737679.db2.gz ZTMMXFNFCFQHGK-SFHVURJKSA-N 2 0 312.461 2.254 20 30 DEEDRP C[C@@H]1CC[NH2+]C[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322334 358054810 /nfs/dbraw/zinc/05/48/10/358054810.db2.gz MDVBLVIKIVAQJV-DNVCBOLYSA-N 2 0 312.461 2.110 20 30 DEEDRP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180997724 199238667 /nfs/dbraw/zinc/23/86/67/199238667.db2.gz BWJAKUGNNFSKDU-FQEVSTJZSA-N 2 0 321.424 2.415 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000595892632 358573482 /nfs/dbraw/zinc/57/34/82/358573482.db2.gz NUSVHXLANHGCRA-RBUKOAKNSA-N 2 0 313.445 2.319 20 30 DEEDRP N#Cc1sccc1N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000595902035 358576021 /nfs/dbraw/zinc/57/60/21/358576021.db2.gz FFZQRORHIWMDML-CQSZACIVSA-N 2 0 304.463 2.131 20 30 DEEDRP C[N@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)Cc1ccccc1 ZINC000598715437 359303301 /nfs/dbraw/zinc/30/33/01/359303301.db2.gz QKRRDSVCZCLUNZ-KRWDZBQOSA-N 2 0 303.450 2.399 20 30 DEEDRP N#Cc1ccc2c(c1)[C@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000602019105 360243266 /nfs/dbraw/zinc/24/32/66/360243266.db2.gz AVVXPYFMYJVWKI-GOSISDBHSA-N 2 0 319.412 2.462 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000602595870 360448247 /nfs/dbraw/zinc/44/82/47/360448247.db2.gz FKKASSPWPJQINC-CRAIPNDOSA-N 2 0 301.434 2.283 20 30 DEEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000602705945 360509156 /nfs/dbraw/zinc/50/91/56/360509156.db2.gz FAQBEOCBPHHVRH-UHFFFAOYSA-N 2 0 321.428 2.350 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)C(C)C ZINC000669385696 540823616 /nfs/dbraw/zinc/82/36/16/540823616.db2.gz HHMHMORHGLWDIX-SJORKVTESA-N 2 0 322.497 2.126 20 30 DEEDRP C[NH+](C)CCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271869171 209282391 /nfs/dbraw/zinc/28/23/91/209282391.db2.gz METXUMYXABZFDS-UHFFFAOYSA-N 2 0 314.477 2.454 20 30 DEEDRP N#Cc1ccc(NC(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000362867464 133256349 /nfs/dbraw/zinc/25/63/49/133256349.db2.gz YGRNEHFKCKVFLS-CQSZACIVSA-N 2 0 309.373 2.099 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000349378093 146374106 /nfs/dbraw/zinc/37/41/06/146374106.db2.gz KZFDOKIHTPWFAI-CABCVRRESA-N 2 0 318.440 2.374 20 30 DEEDRP C[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118841597 401911709 /nfs/dbraw/zinc/91/17/09/401911709.db2.gz OERXKWSKIGMFJB-OAHLLOKOSA-N 2 0 314.433 2.160 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000150979557 402008769 /nfs/dbraw/zinc/00/87/69/402008769.db2.gz MVYATEZPXOHECA-MRXNPFEDSA-N 2 0 305.422 2.013 20 30 DEEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000104167118 402199330 /nfs/dbraw/zinc/19/93/30/402199330.db2.gz KBQWKJPDXZODFL-GFCCVEGCSA-N 2 0 308.426 2.161 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc(OC)cc1 ZINC000104176823 402199730 /nfs/dbraw/zinc/19/97/30/402199730.db2.gz JSJJKDCOGUQUNH-MRXNPFEDSA-N 2 0 318.465 2.016 20 30 DEEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000071124227 402269744 /nfs/dbraw/zinc/26/97/44/402269744.db2.gz BYEHTFLUWYAYHK-HNNXBMFYSA-N 2 0 303.450 2.309 20 30 DEEDRP CC[NH+]=C(NCc1ccc(C)nc1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158495208 402307189 /nfs/dbraw/zinc/30/71/89/402307189.db2.gz XAAYOCYJVYHIGF-YOEHRIQHSA-N 2 0 317.481 2.174 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)C(C)C ZINC000180989479 402631745 /nfs/dbraw/zinc/63/17/45/402631745.db2.gz LGHPEGYVZSPVIQ-SJLPKXTDSA-N 2 0 307.482 2.333 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)N1 ZINC000262639647 402728587 /nfs/dbraw/zinc/72/85/87/402728587.db2.gz HNQYFNZPQIZIGS-HUUCEWRRSA-N 2 0 300.450 2.498 20 30 DEEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)N1 ZINC000262680329 402729584 /nfs/dbraw/zinc/72/95/84/402729584.db2.gz VTJHDCQHYCIUJY-IFUGULHKSA-N 2 0 324.831 2.409 20 30 DEEDRP CC(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000269405967 403136886 /nfs/dbraw/zinc/13/68/86/403136886.db2.gz HNLVMAICGIWGEX-SFHVURJKSA-N 2 0 318.440 2.059 20 30 DEEDRP C[NH+]1CCC(N2CC[C@H](Nc3c(C#N)cccc3C#N)C2)CC1 ZINC000365461955 404667170 /nfs/dbraw/zinc/66/71/70/404667170.db2.gz PGZVIHCYOCMVFP-INIZCTEOSA-N 2 0 309.417 2.010 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](CC)CCC)CC1 ZINC000357751203 404742872 /nfs/dbraw/zinc/74/28/72/404742872.db2.gz UCWAKIOLFUODCH-MRXNPFEDSA-N 2 0 324.513 2.447 20 30 DEEDRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424058602 404988534 /nfs/dbraw/zinc/98/85/34/404988534.db2.gz LREXOQJHIRMVPY-IRXDYDNUSA-N 2 0 316.449 2.207 20 30 DEEDRP C=CC[N@@H+](CCOC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000361643036 405178527 /nfs/dbraw/zinc/17/85/27/405178527.db2.gz LFCIUUVAFNDZRG-UHFFFAOYSA-N 2 0 317.477 2.463 20 30 DEEDRP N#Cc1cccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425896321 405328360 /nfs/dbraw/zinc/32/83/60/405328360.db2.gz NZEBNMJJORLBGD-UHFFFAOYSA-N 2 0 310.401 2.346 20 30 DEEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000421362569 405474107 /nfs/dbraw/zinc/47/41/07/405474107.db2.gz JNFZQYFBHQYUFR-INIZCTEOSA-N 2 0 305.397 2.024 20 30 DEEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]CCC#N)CC2)c1 ZINC000577858915 405528219 /nfs/dbraw/zinc/52/82/19/405528219.db2.gz DFVBBGYWSKDGQE-UHFFFAOYSA-N 2 0 300.450 2.401 20 30 DEEDRP C=C(CC)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000459085706 405737406 /nfs/dbraw/zinc/73/74/06/405737406.db2.gz VROFSGPBNSWSQV-MRXNPFEDSA-N 2 0 310.486 2.010 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)ccn1 ZINC000193058984 225149555 /nfs/dbraw/zinc/14/95/55/225149555.db2.gz ZHHXUHYIFQROEB-GOEBONIOSA-N 2 0 302.422 2.194 20 30 DEEDRP C[NH+](C)[C@]1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCSC1 ZINC000262293073 225268015 /nfs/dbraw/zinc/26/80/15/225268015.db2.gz OBXKTPSOHPFUNC-AWEZNQCLSA-N 2 0 314.405 2.129 20 30 DEEDRP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])NC1CCCCC1 ZINC000264131930 225308356 /nfs/dbraw/zinc/30/83/56/225308356.db2.gz YEWJZZSJGIXPJG-UHFFFAOYSA-N 2 0 318.465 2.364 20 30 DEEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000264307204 225314355 /nfs/dbraw/zinc/31/43/55/225314355.db2.gz UBJYUCHHKLPBAO-UHFFFAOYSA-N 2 0 306.454 2.220 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898556 782030134 /nfs/dbraw/zinc/03/01/34/782030134.db2.gz KMPJTFULIWNZRQ-IKGGRYGDSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+](CC)C2)CC1 ZINC000664016954 425289571 /nfs/dbraw/zinc/28/95/71/425289571.db2.gz TVBHXDVCHROPCO-KRWDZBQOSA-N 2 0 322.497 2.153 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000664016955 425290232 /nfs/dbraw/zinc/29/02/32/425290232.db2.gz TVBHXDVCHROPCO-QGZVFWFLSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657872342 425412550 /nfs/dbraw/zinc/41/25/50/425412550.db2.gz NCNNFCMIQCMJKQ-IKGGRYGDSA-N 2 0 307.482 2.298 20 30 DEEDRP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nn1 ZINC000662293015 425616668 /nfs/dbraw/zinc/61/66/68/425616668.db2.gz IHLAWXCCUUTWIG-MRXNPFEDSA-N 2 0 303.454 2.066 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CC[NH+](C3CCCCC3)CC2)CCC[NH2+]1 ZINC000662786333 425735215 /nfs/dbraw/zinc/73/52/15/425735215.db2.gz RWFMTOSRQLKQPM-SFHVURJKSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662674038 425709174 /nfs/dbraw/zinc/70/91/74/425709174.db2.gz XDXRUUJYDDECSZ-SFHVURJKSA-N 2 0 317.433 2.264 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662693352 425714335 /nfs/dbraw/zinc/71/43/35/425714335.db2.gz UGYHAFVGTAFXPH-KBAYOESNSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730908 425723932 /nfs/dbraw/zinc/72/39/32/425723932.db2.gz URQGBHUUJWGWHU-QFBILLFUSA-N 2 0 315.461 2.321 20 30 DEEDRP COCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000267432834 274025044 /nfs/dbraw/zinc/02/50/44/274025044.db2.gz MXAIBNYNYHHRHG-UHFFFAOYSA-N 2 0 318.465 2.113 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)C(C)C ZINC000417063861 277848085 /nfs/dbraw/zinc/84/80/85/277848085.db2.gz NWVGEJGFBZDHQV-SJORKVTESA-N 2 0 322.497 2.078 20 30 DEEDRP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[C@](C)(CC)C1 ZINC000261842871 278166427 /nfs/dbraw/zinc/16/64/27/278166427.db2.gz WWDKKAGJBOOKCZ-KRWDZBQOSA-N 2 0 324.513 2.185 20 30 DEEDRP C[C@H]1C[NH+]=C(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)N1 ZINC000261556219 341360431 /nfs/dbraw/zinc/36/04/31/341360431.db2.gz VSRMQJHQOZAURP-DOTOQJQBSA-N 2 0 300.450 2.226 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001358060273 1152359340 /nfs/dbraw/zinc/35/93/40/1152359340.db2.gz DXNSIDTUOKDGED-HNNXBMFYSA-N 2 0 309.841 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CCCn2ccnc2C)C1 ZINC001330061172 1149043785 /nfs/dbraw/zinc/04/37/85/1149043785.db2.gz OHPQGRMMJODWAS-HNNXBMFYSA-N 2 0 318.465 2.374 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001378716430 1152422250 /nfs/dbraw/zinc/42/22/50/1152422250.db2.gz OWQLRGIQZZEGCK-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH2+]CC3)C2)c(F)c1 ZINC000422976698 534791328 /nfs/dbraw/zinc/79/13/28/534791328.db2.gz ISKANDGCBCARKF-HNNXBMFYSA-N 2 0 302.397 2.008 20 30 DEEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N(C)Cc1ccon1 ZINC000261741803 526378297 /nfs/dbraw/zinc/37/82/97/526378297.db2.gz KSTOYYUDGNMFPO-PBHICJAKSA-N 2 0 321.469 2.192 20 30 DEEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262358833 526394215 /nfs/dbraw/zinc/39/42/15/526394215.db2.gz GKQWDMQVWNFJHD-GBESFXJTSA-N 2 0 324.472 2.139 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000264066374 526575687 /nfs/dbraw/zinc/57/56/87/526575687.db2.gz BJTRTMZFTNHAAB-UHFFFAOYSA-N 2 0 318.465 2.388 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338840942 526582023 /nfs/dbraw/zinc/58/20/23/526582023.db2.gz KWJPPYRIZMXFNG-UHFFFAOYSA-N 2 0 305.466 2.018 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC(F)(F)CC1 ZINC000261732796 529070385 /nfs/dbraw/zinc/07/03/85/529070385.db2.gz OKXRSLVDLPAFBS-CYBMUJFWSA-N 2 0 302.413 2.201 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000449745151 535672372 /nfs/dbraw/zinc/67/23/72/535672372.db2.gz LMIBZHFLYSRRRE-UHFFFAOYSA-N 2 0 306.479 2.125 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023555653 625325056 /nfs/dbraw/zinc/32/50/56/625325056.db2.gz ZIXWVAQGFMSWCJ-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972648115 625403604 /nfs/dbraw/zinc/40/36/04/625403604.db2.gz FHZXQRMZZSVFCA-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025458758 625451829 /nfs/dbraw/zinc/45/18/29/625451829.db2.gz CKDDRNJJYLFTCW-HOCLYGCPSA-N 2 0 324.428 2.106 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000969156363 622597142 /nfs/dbraw/zinc/59/71/42/622597142.db2.gz RBAOHOADVQPCRN-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020927282 623191601 /nfs/dbraw/zinc/19/16/01/623191601.db2.gz KWBCOUCJIPSCFL-AJNGGQMLSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001021090879 623336546 /nfs/dbraw/zinc/33/65/46/623336546.db2.gz MURGLDICLKQMGW-WKILWMFISA-N 2 0 301.434 2.175 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529120 623522880 /nfs/dbraw/zinc/52/28/80/623522880.db2.gz MIEPRTGFOSPDHJ-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970592708 623564013 /nfs/dbraw/zinc/56/40/13/623564013.db2.gz DJRRQLVDSXUAES-OAHLLOKOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970926620 623796261 /nfs/dbraw/zinc/79/62/61/623796261.db2.gz ADKCYIQFQDYVFA-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021633778 623866859 /nfs/dbraw/zinc/86/68/59/623866859.db2.gz TYIIIYZCWHDSLG-YJBOKZPZSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666387 623922396 /nfs/dbraw/zinc/92/23/96/623922396.db2.gz TVECMKGIJXJAIF-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021670223 623929795 /nfs/dbraw/zinc/92/97/95/623929795.db2.gz JMVLBASDNAWVAZ-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCCCC[NH3+])CC1 ZINC000891521102 624467825 /nfs/dbraw/zinc/46/78/25/624467825.db2.gz SVUVZMSCCSYFOI-UHFFFAOYSA-N 2 0 310.486 2.187 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972189609 624881696 /nfs/dbraw/zinc/88/16/96/624881696.db2.gz SNXIWJDNDAMYFR-HNNXBMFYSA-N 2 0 305.422 2.064 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749894 625033379 /nfs/dbraw/zinc/03/33/79/625033379.db2.gz IPPOJVSWZBJNQG-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024615678 625936022 /nfs/dbraw/zinc/93/60/22/625936022.db2.gz YVUIPMPPDHKLTL-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634194 625944154 /nfs/dbraw/zinc/94/41/54/625944154.db2.gz SEFQKZKNGSVTHD-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999162817 634502998 /nfs/dbraw/zinc/50/29/98/634502998.db2.gz MIWUPYXJDGHPSN-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999162816 634503037 /nfs/dbraw/zinc/50/30/37/634503037.db2.gz MIWUPYXJDGHPSN-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974649484 633208581 /nfs/dbraw/zinc/20/85/81/633208581.db2.gz GVVKJKSLMIXKTJ-DLBZAZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974654086 633211672 /nfs/dbraw/zinc/21/16/72/633211672.db2.gz GZBZYXPMLFIIGF-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996250393 633218161 /nfs/dbraw/zinc/21/81/61/633218161.db2.gz WICXMJHOWHZQEF-UONOGXRCSA-N 2 0 315.889 2.152 20 30 DEEDRP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677496 633230675 /nfs/dbraw/zinc/23/06/75/633230675.db2.gz DXJQONYGXDYMDY-IRXDYDNUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000996715931 633366765 /nfs/dbraw/zinc/36/67/65/633366765.db2.gz GWDAWWMEVIDLQW-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867412 633472207 /nfs/dbraw/zinc/47/22/07/633472207.db2.gz HHVWRRLTEFDMQH-UHFFFAOYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000997299148 633699500 /nfs/dbraw/zinc/69/95/00/633699500.db2.gz XMBTYKQSJSHWKT-UKRRQHHQSA-N 2 0 316.449 2.232 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997434484 633756595 /nfs/dbraw/zinc/75/65/95/633756595.db2.gz PLICYHLYWHHSFL-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027437657 633784688 /nfs/dbraw/zinc/78/46/88/633784688.db2.gz CYAFWDMSWZABJM-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001027461767 633830178 /nfs/dbraw/zinc/83/01/78/633830178.db2.gz PBAYONPTURQYFK-INIZCTEOSA-N 2 0 318.465 2.426 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214364 633880524 /nfs/dbraw/zinc/88/05/24/633880524.db2.gz CPFGLKBJILWCGD-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997660600 633914083 /nfs/dbraw/zinc/91/40/83/633914083.db2.gz WLQHDFUYXYOEJK-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997657904 633914583 /nfs/dbraw/zinc/91/45/83/633914583.db2.gz CBYRBXIYUJMIKQ-HNNXBMFYSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997655467 633914767 /nfs/dbraw/zinc/91/47/67/633914767.db2.gz QZJFCWDEFGSRGK-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977338615 633932906 /nfs/dbraw/zinc/93/29/06/633932906.db2.gz UTOPNARVSKTCDZ-QGZVFWFLSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980144778 634861837 /nfs/dbraw/zinc/86/18/37/634861837.db2.gz BNEOYZGNCDMGPP-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980186466 634883907 /nfs/dbraw/zinc/88/39/07/634883907.db2.gz DGWRRGQPQIVYEG-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000837060800 650161091 /nfs/dbraw/zinc/16/10/91/650161091.db2.gz FPZVPSTYVMIROB-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925539 634981747 /nfs/dbraw/zinc/98/17/47/634981747.db2.gz UBDKTIULJJVTDB-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000981122906 635324702 /nfs/dbraw/zinc/32/47/02/635324702.db2.gz OTJWWARBHJMLBU-CABCVRRESA-N 2 0 319.474 2.074 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001094387 635405264 /nfs/dbraw/zinc/40/52/64/635405264.db2.gz UXGAJGAAIYHGBB-UHFFFAOYSA-N 2 0 317.433 2.279 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000981297250 635426959 /nfs/dbraw/zinc/42/69/59/635426959.db2.gz PCXQZHFZDKKFFR-LSDHHAIUSA-N 2 0 305.422 2.158 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001251347 635441476 /nfs/dbraw/zinc/44/14/76/635441476.db2.gz DPIOUVGZZMOYRK-QZTJIDSGSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001370167 635480539 /nfs/dbraw/zinc/48/05/39/635480539.db2.gz HLRDZZXZFNDAOK-SJORKVTESA-N 2 0 305.466 2.041 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001001478239 635516653 /nfs/dbraw/zinc/51/66/53/635516653.db2.gz ZCZMLZCFYPHUKG-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001523343 635521606 /nfs/dbraw/zinc/52/16/06/635521606.db2.gz RVMLGSWQVXVWQX-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001028144755 635698257 /nfs/dbraw/zinc/69/82/57/635698257.db2.gz BNQDSRQMZMWHKZ-BZUAXINKSA-N 2 0 316.449 2.070 20 30 DEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893326 635714259 /nfs/dbraw/zinc/71/42/59/635714259.db2.gz CZSTWUSNQGEEFJ-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(Cl)CN1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086083 635857337 /nfs/dbraw/zinc/85/73/37/635857337.db2.gz FWXHBDWENNOUIR-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004203148 636222760 /nfs/dbraw/zinc/22/27/60/636222760.db2.gz HWXDHVOWZHAECQ-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982736588 636384026 /nfs/dbraw/zinc/38/40/26/636384026.db2.gz PRNRTYIJSMIPSE-YTQUADARSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001004367411 636394407 /nfs/dbraw/zinc/39/44/07/636394407.db2.gz CMXOMSHXNSJOET-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779082 636646236 /nfs/dbraw/zinc/64/62/36/636646236.db2.gz FTFKCGPOFXAPPK-OKZBNKHCSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005384506 636727596 /nfs/dbraw/zinc/72/75/96/636727596.db2.gz MPUXHZKXKHIKSN-KRWDZBQOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005406538 636733071 /nfs/dbraw/zinc/73/30/71/636733071.db2.gz DRMYUGYZTAFYRY-NVXWUHKLSA-N 2 0 307.482 2.216 20 30 DEEDRP C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925002663 636799502 /nfs/dbraw/zinc/79/95/02/636799502.db2.gz MLSHZYQCKMZMBC-OAHLLOKOSA-N 2 0 300.450 2.387 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005633189 636802726 /nfs/dbraw/zinc/80/27/26/636802726.db2.gz TUYQVHYRNFPJRN-UHFFFAOYSA-N 2 0 324.428 2.202 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005640907 636803561 /nfs/dbraw/zinc/80/35/61/636803561.db2.gz UGGARLOVYSQCBM-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP CN(c1ccccc1C=[NH+]NCC(F)F)C1CC[NH+](C)CC1 ZINC000740618033 637881277 /nfs/dbraw/zinc/88/12/77/637881277.db2.gz JIACHIHSSMMJEH-UHFFFAOYSA-N 2 0 310.392 2.406 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000749251352 638628964 /nfs/dbraw/zinc/62/89/64/638628964.db2.gz PVJAYJHQBCBDQC-UHFFFAOYSA-N 2 0 317.408 2.171 20 30 DEEDRP C[C@H]1CNC(NN=C2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)=[NH+]1 ZINC000841633321 650527385 /nfs/dbraw/zinc/52/73/85/650527385.db2.gz KOGQLUMFCQIXCX-SUMWQHHRSA-N 2 0 311.433 2.279 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989078547 640718538 /nfs/dbraw/zinc/71/85/38/640718538.db2.gz VGACQHMMDBFTKO-DZGCQCFKSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728100 641211645 /nfs/dbraw/zinc/21/16/45/641211645.db2.gz AXBUEENHJYGJQW-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000773821685 641827762 /nfs/dbraw/zinc/82/77/62/641827762.db2.gz JBLGRKSVPNGKFT-UHFFFAOYSA-N 2 0 315.461 2.193 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990767767 641986491 /nfs/dbraw/zinc/98/64/91/641986491.db2.gz YRSXSSAAQXMOLQ-XLMAVXFVSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000900174425 642287856 /nfs/dbraw/zinc/28/78/56/642287856.db2.gz LDROUDJKZDZTCW-UHFFFAOYSA-N 2 0 305.422 2.203 20 30 DEEDRP C#CC[N@@H+](CCOC)CC1(c2ccccc2)CC[NH+](CC#C)CC1 ZINC000785488300 643239898 /nfs/dbraw/zinc/23/98/98/643239898.db2.gz RVCXLABXKSIHLN-UHFFFAOYSA-N 2 0 324.468 2.235 20 30 DEEDRP N#Cc1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903938042 643517121 /nfs/dbraw/zinc/51/71/21/643517121.db2.gz YFDXOXWCHKPZIU-AYHJJNSGSA-N 2 0 310.445 2.211 20 30 DEEDRP COCCN(C)[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000794963118 644500970 /nfs/dbraw/zinc/50/09/70/644500970.db2.gz KYXLXMYVQVPTKL-UHFFFAOYSA-N 2 0 318.465 2.129 20 30 DEEDRP CSCCC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912507874 646090288 /nfs/dbraw/zinc/09/02/88/646090288.db2.gz GZIVARMPMVQPBY-CYBMUJFWSA-N 2 0 300.516 2.167 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775713 646626926 /nfs/dbraw/zinc/62/69/26/646626926.db2.gz PCUPNPNQGDTURM-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992141100 646870806 /nfs/dbraw/zinc/87/08/06/646870806.db2.gz GNSVATOETWUAEL-WMZOPIPTSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992412040 646980499 /nfs/dbraw/zinc/98/04/99/646980499.db2.gz QQIQWLRXKHISLW-APWZRJJASA-N 2 0 317.477 2.162 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC000992930735 647322963 /nfs/dbraw/zinc/32/29/63/647322963.db2.gz HOKKTALIWWSFCU-RCCFBDPRSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC000992930733 647323267 /nfs/dbraw/zinc/32/32/67/647323267.db2.gz HOKKTALIWWSFCU-KZNAEPCWSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993325191 647605826 /nfs/dbraw/zinc/60/58/26/647605826.db2.gz HPPBKJPFIIBDLQ-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993683281 647725364 /nfs/dbraw/zinc/72/53/64/647725364.db2.gz MJXUYUIIVFHJOI-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761271 647741090 /nfs/dbraw/zinc/74/10/90/647741090.db2.gz OKTJQIIVPFIQTM-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928472 647763102 /nfs/dbraw/zinc/76/31/02/647763102.db2.gz NNEZIMISYIAUHL-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994128946 647790725 /nfs/dbraw/zinc/79/07/25/647790725.db2.gz FDPUHYHRNNXRCZ-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994253233 647861543 /nfs/dbraw/zinc/86/15/43/647861543.db2.gz NDXHQIWMRPITEM-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029645 648989014 /nfs/dbraw/zinc/98/90/14/648989014.db2.gz YIOCAKLMUIYIIP-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941237866 649029083 /nfs/dbraw/zinc/02/90/83/649029083.db2.gz RRGPXZBVWXJXRT-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755483 649422151 /nfs/dbraw/zinc/42/21/51/649422151.db2.gz FERHTXPVXGNSEY-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP N#CCCCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849003148 651578832 /nfs/dbraw/zinc/57/88/32/651578832.db2.gz MJEJOEIDDPONOS-UHFFFAOYSA-N 2 0 313.449 2.459 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC1CCCCCC1 ZINC000304751264 685260202 /nfs/dbraw/zinc/26/02/02/685260202.db2.gz JBVCVMSAVXHSGU-HNNXBMFYSA-N 2 0 310.486 2.114 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054153284 693864427 /nfs/dbraw/zinc/86/44/27/693864427.db2.gz NOJWFVLPTYVWPK-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164218 693867754 /nfs/dbraw/zinc/86/77/54/693867754.db2.gz DMPZKFZYYLQCHD-LJQANCHMSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054234077 693893458 /nfs/dbraw/zinc/89/34/58/693893458.db2.gz WUNXBAAWLXOGFY-GOSISDBHSA-N 2 0 316.449 2.151 20 30 DEEDRP CCOCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303770340 685233227 /nfs/dbraw/zinc/23/32/27/685233227.db2.gz BWLQPJQMDKZKBW-INIZCTEOSA-N 2 0 312.502 2.218 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1c(C)cccc1C ZINC000303894017 685238345 /nfs/dbraw/zinc/23/83/45/685238345.db2.gz SHWCCNKOJJWQDC-INIZCTEOSA-N 2 0 318.465 2.071 20 30 DEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)C1 ZINC000303892646 685238521 /nfs/dbraw/zinc/23/85/21/685238521.db2.gz NUNBRBSZRFVNRE-NSHDSACASA-N 2 0 310.829 2.417 20 30 DEEDRP N#CC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000930139631 694098926 /nfs/dbraw/zinc/09/89/26/694098926.db2.gz WTOJKCKZGHHMAR-GOSISDBHSA-N 2 0 313.445 2.249 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016700105 687685416 /nfs/dbraw/zinc/68/54/16/687685416.db2.gz BQHNZRGRPIUVJA-IRXDYDNUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016707731 687686571 /nfs/dbraw/zinc/68/65/71/687686571.db2.gz AAEYZQIJIXXXPP-INIZCTEOSA-N 2 0 310.401 2.105 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017659673 687933825 /nfs/dbraw/zinc/93/38/25/687933825.db2.gz YBNKTVREVXUHKW-FJIDUMEYSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632157 688383183 /nfs/dbraw/zinc/38/31/83/688383183.db2.gz BTRACVFSMXKWDG-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001032219380 689085741 /nfs/dbraw/zinc/08/57/41/689085741.db2.gz XSDIVYPRNXYEQJ-UHFFFAOYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470634 689513401 /nfs/dbraw/zinc/51/34/01/689513401.db2.gz BRKLBMWWDWXZBZ-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033835585 689631946 /nfs/dbraw/zinc/63/19/46/689631946.db2.gz ZYJMHEWEGSDEHE-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897627 689654099 /nfs/dbraw/zinc/65/40/99/689654099.db2.gz MSZBLRVCHVGQGF-KRWDZBQOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034216427 689766367 /nfs/dbraw/zinc/76/63/67/689766367.db2.gz GQJCIYTWUIQPCT-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034370527 689826121 /nfs/dbraw/zinc/82/61/21/689826121.db2.gz XMKJPXYKWWZDRY-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034369792 689826469 /nfs/dbraw/zinc/82/64/69/689826469.db2.gz VFDWHKWNHMTMTJ-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034393369 689833350 /nfs/dbraw/zinc/83/33/50/689833350.db2.gz DEIHTNBSYDUBTF-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000876724088 689916283 /nfs/dbraw/zinc/91/62/83/689916283.db2.gz NKRLUFJWSAFPDE-HNNXBMFYSA-N 2 0 315.889 2.427 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000876725805 689917067 /nfs/dbraw/zinc/91/70/67/689917067.db2.gz XXGOSJXVBXROOE-GXTWGEPZSA-N 2 0 301.862 2.085 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034648066 689918608 /nfs/dbraw/zinc/91/86/08/689918608.db2.gz XAHGDSSNTUUEHP-KBUPBQIOSA-N 2 0 313.873 2.096 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001034655781 689920588 /nfs/dbraw/zinc/92/05/88/689920588.db2.gz LVDGPCFRISTSDB-SHTZXODSSA-N 2 0 319.474 2.074 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001034800317 689950931 /nfs/dbraw/zinc/95/09/31/689950931.db2.gz YKGIXTNUCCZIEL-IYARVYRRSA-N 2 0 313.445 2.012 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035198543 690057219 /nfs/dbraw/zinc/05/72/19/690057219.db2.gz LVNVQGAOTCLOBS-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229467 690066673 /nfs/dbraw/zinc/06/66/73/690066673.db2.gz MTKPGDOHDKCULG-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035737105 690164391 /nfs/dbraw/zinc/16/43/91/690164391.db2.gz TWBMAMBHSMSUMI-UHFFFAOYSA-N 2 0 324.428 2.367 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035785407 690175348 /nfs/dbraw/zinc/17/53/48/690175348.db2.gz JFXHCIYXPMHIPP-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C#Cc1ccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877664243 690182657 /nfs/dbraw/zinc/18/26/57/690182657.db2.gz KWLZIOCWMJCKKX-UHFFFAOYSA-N 2 0 300.446 2.458 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035858271 690194721 /nfs/dbraw/zinc/19/47/21/690194721.db2.gz RKWIHJVEOAJCGE-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001036050117 690246804 /nfs/dbraw/zinc/24/68/04/690246804.db2.gz VIFYYCNKMDZNBM-UKRRQHHQSA-N 2 0 321.490 2.436 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001036300195 690315063 /nfs/dbraw/zinc/31/50/63/690315063.db2.gz AFFDDOWIKLDUMA-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000879249091 690602680 /nfs/dbraw/zinc/60/26/80/690602680.db2.gz DXLJGTVZICEFBE-GOSISDBHSA-N 2 0 313.445 2.399 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001037863351 690626513 /nfs/dbraw/zinc/62/65/13/690626513.db2.gz XUHHGXADARLEHO-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC ZINC001037890389 690634055 /nfs/dbraw/zinc/63/40/55/690634055.db2.gz REXDDEOQMVAQAQ-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250097 690758326 /nfs/dbraw/zinc/75/83/26/690758326.db2.gz YKBBFDAFJSNNSS-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880262510 690854743 /nfs/dbraw/zinc/85/47/43/690854743.db2.gz NEZGSCJMTSOFSW-KXBFYZLASA-N 2 0 322.412 2.197 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038779838 690924722 /nfs/dbraw/zinc/92/47/22/690924722.db2.gz KQJWRAIXBLWIOC-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173091 691039418 /nfs/dbraw/zinc/03/94/18/691039418.db2.gz NGGRZUQKWCMESR-ZWKOTPCHSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224709 691060102 /nfs/dbraw/zinc/06/01/02/691060102.db2.gz IPSZMDOUKPUTCH-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242782 691066773 /nfs/dbraw/zinc/06/67/73/691066773.db2.gz RDDQMVANGMUJOK-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001039380677 691093564 /nfs/dbraw/zinc/09/35/64/691093564.db2.gz ZKMOENPKXBBIOC-VSZNYVQBSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039388126 691095597 /nfs/dbraw/zinc/09/55/97/691095597.db2.gz BNJNTCHLBNUCGO-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039405725 691099646 /nfs/dbraw/zinc/09/96/46/691099646.db2.gz CTOWNPNJQCWTKS-AEFFLSMTSA-N 2 0 322.412 2.037 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431940 691104749 /nfs/dbraw/zinc/10/47/49/691104749.db2.gz ZZVLAMWUBZYZSS-IXDOHACOSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001039435458 691105518 /nfs/dbraw/zinc/10/55/18/691105518.db2.gz MFHSERGYHHNQCY-ILXRZTDVSA-N 2 0 314.433 2.081 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040208686 691213531 /nfs/dbraw/zinc/21/35/31/691213531.db2.gz BDWHRAFVMQETTL-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241715 691219043 /nfs/dbraw/zinc/21/90/43/691219043.db2.gz RPLFHQKQFFKDFN-MJGOQNOKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040705770 691280803 /nfs/dbraw/zinc/28/08/03/691280803.db2.gz KFMYMLOKMDCWOQ-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644105 691404860 /nfs/dbraw/zinc/40/48/60/691404860.db2.gz AZMTZZNESNNCAS-SJLPKXTDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757565 691425188 /nfs/dbraw/zinc/42/51/88/691425188.db2.gz YVXNMXFLUSNZPH-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883169821 691447222 /nfs/dbraw/zinc/44/72/22/691447222.db2.gz FAQNEOQUTCQWPC-GBESFXJTSA-N 2 0 323.525 2.362 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001044164459 691782499 /nfs/dbraw/zinc/78/24/99/691782499.db2.gz BKAMSGHICPVVOW-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630269 691861364 /nfs/dbraw/zinc/86/13/64/691861364.db2.gz UMWRUKKNKJVJOT-ZIAGYGMSSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045458777 691984219 /nfs/dbraw/zinc/98/42/19/691984219.db2.gz ODQMRAFATQEDLV-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001045503527 691990434 /nfs/dbraw/zinc/99/04/34/691990434.db2.gz DFPSLDMHPSSLIV-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045557296 691996629 /nfs/dbraw/zinc/99/66/29/691996629.db2.gz FYYODVFSDVGOJA-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045557294 691996696 /nfs/dbraw/zinc/99/66/96/691996696.db2.gz FYYODVFSDVGOJA-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045619789 692006366 /nfs/dbraw/zinc/00/63/66/692006366.db2.gz KXLAHGOURJDLHE-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967522 692064504 /nfs/dbraw/zinc/06/45/04/692064504.db2.gz WUIWMRGPVLUWPL-HKUYNNGSSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ccnc1C)C2 ZINC001045984446 692068739 /nfs/dbraw/zinc/06/87/39/692068739.db2.gz APGJLUCIOAAHGP-SFHVURJKSA-N 2 0 316.449 2.082 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739597 692280126 /nfs/dbraw/zinc/28/01/26/692280126.db2.gz QKMHCMJYOWNNPV-SFHVURJKSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572572 692926034 /nfs/dbraw/zinc/92/60/34/692926034.db2.gz MFWGUEQOENTORA-MSOLQXFVSA-N 2 0 322.412 2.037 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671193 692960872 /nfs/dbraw/zinc/96/08/72/692960872.db2.gz IZAREKSUMCOUDJ-WNRNVDISSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671194 692961245 /nfs/dbraw/zinc/96/12/45/692961245.db2.gz IZAREKSUMCOUDJ-XLAORIBOSA-N 2 0 319.493 2.358 20 30 DEEDRP 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 693114823 /nfs/dbraw/zinc/11/48/23/693114823.db2.gz PDWNCRQOTNTERW-XLAORIBOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050137975 693117981 /nfs/dbraw/zinc/11/79/81/693117981.db2.gz LHNQFJLTQYDMPO-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050634599 693220031 /nfs/dbraw/zinc/22/00/31/693220031.db2.gz DQEAWGQDHBNIGY-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000925893169 693360831 /nfs/dbraw/zinc/36/08/31/693360831.db2.gz MJTRROVSQIIUIS-BRWVUGGUSA-N 2 0 313.449 2.266 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052712520 693601228 /nfs/dbraw/zinc/60/12/28/693601228.db2.gz JPNGEHSCSGJQBQ-DZGCQCFKSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765192 693614525 /nfs/dbraw/zinc/61/45/25/693614525.db2.gz WYOJYHPOEACKTC-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857081 693634650 /nfs/dbraw/zinc/63/46/50/693634650.db2.gz HRMADLXDIWUTPT-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC001331891705 1149756542 /nfs/dbraw/zinc/75/65/42/1149756542.db2.gz OZFITKYURXLMOT-UHFFFAOYSA-N 2 0 300.450 2.446 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001332736108 1149886176 /nfs/dbraw/zinc/88/61/76/1149886176.db2.gz WCVRDHQBNOBKAK-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001402384609 1162339559 /nfs/dbraw/zinc/33/95/59/1162339559.db2.gz UPHUULNUAFHRCB-GJZGRUSLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCCCCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001354761128 1151934087 /nfs/dbraw/zinc/93/40/87/1151934087.db2.gz WRSPSHVISFNEDB-SFHVURJKSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001382135989 1153373836 /nfs/dbraw/zinc/37/38/36/1153373836.db2.gz QIJPTUWVJGUJDE-CABCVRRESA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001375882710 1158910577 /nfs/dbraw/zinc/91/05/77/1158910577.db2.gz LDWQCAIEUKIYKC-GOEBONIOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001376914988 1159844723 /nfs/dbraw/zinc/84/47/23/1159844723.db2.gz VHTUOHNQSSMBLH-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001397591046 1160351602 /nfs/dbraw/zinc/35/16/02/1160351602.db2.gz GRXLFAKUWXWUFQ-ZNMIVQPWSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001377615353 1160595977 /nfs/dbraw/zinc/59/59/77/1160595977.db2.gz SSTSRESSIKGODV-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001398794696 1161105524 /nfs/dbraw/zinc/10/55/24/1161105524.db2.gz PRXOMXNBKKEKIE-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001401230880 1161899597 /nfs/dbraw/zinc/89/95/97/1161899597.db2.gz ZFUMUAXJLJZVQN-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001401832091 1162148044 /nfs/dbraw/zinc/14/80/44/1162148044.db2.gz USPAOCSCFUQWMM-HUUCEWRRSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001419796657 1168849971 /nfs/dbraw/zinc/84/99/71/1168849971.db2.gz RBURGWZONMKHMR-LLVKDONJSA-N 2 0 306.797 2.103 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001421432304 1171794896 /nfs/dbraw/zinc/79/48/96/1171794896.db2.gz NRDPCMSEZMCSIG-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001424854041 1173992020 /nfs/dbraw/zinc/99/20/20/1173992020.db2.gz KYNXCZCLKZPTRP-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001438715151 1180787053 /nfs/dbraw/zinc/78/70/53/1180787053.db2.gz PLAGGQIWVHNSCW-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001439257080 1180972655 /nfs/dbraw/zinc/97/26/55/1180972655.db2.gz KGYCGWBGZDIGGS-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP 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 782440585 /nfs/dbraw/zinc/44/05/85/782440585.db2.gz RRBDFPNYWXYFLC-ZJPYXAASSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106211047 782522392 /nfs/dbraw/zinc/52/23/92/782522392.db2.gz OPTMIVWDTNGSEW-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001072882704 790286160 /nfs/dbraw/zinc/28/61/60/790286160.db2.gz LMNLJSALUCCCLQ-UHFFFAOYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001072882866 790287088 /nfs/dbraw/zinc/28/70/88/790287088.db2.gz UDKRNGNNDCNUOW-UHFFFAOYSA-N 2 0 324.428 2.367 20 30 DEEDRP C=CCCC[NH+]1CC=C(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001333354582 1150038765 /nfs/dbraw/zinc/03/87/65/1150038765.db2.gz NMJXSEPQPASCSE-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334924 782772053 /nfs/dbraw/zinc/77/20/53/782772053.db2.gz LOGOVOSNKZHMDX-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234369 782788850 /nfs/dbraw/zinc/78/88/50/782788850.db2.gz IUKMJZYCOZIUFF-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089560233 783207438 /nfs/dbraw/zinc/20/74/38/783207438.db2.gz XFJIGDKXAZXHRM-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562553 783210555 /nfs/dbraw/zinc/21/05/55/783210555.db2.gz HPTPERQFTNYATI-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001104292267 776950502 /nfs/dbraw/zinc/95/05/02/776950502.db2.gz RQIIKFUGXBEECW-KBAYOESNSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167438524 777046583 /nfs/dbraw/zinc/04/65/83/777046583.db2.gz XEXYIITYRVODLX-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171062061 790540468 /nfs/dbraw/zinc/54/04/68/790540468.db2.gz YWXCUUKIHPNCQM-GJZGRUSLSA-N 2 0 301.450 2.117 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318432 777782421 /nfs/dbraw/zinc/78/24/21/777782421.db2.gz XSZRMDHDVBGTAO-NJAFHUGGSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075784792 779232052 /nfs/dbraw/zinc/23/20/52/779232052.db2.gz HWDUNKVCUUPABZ-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569535 779356857 /nfs/dbraw/zinc/35/68/57/779356857.db2.gz ARTXXHQUKLQBSP-BBWFWOEESA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725440 779424849 /nfs/dbraw/zinc/42/48/49/779424849.db2.gz OZYTYNXUHIMMTL-IXDOHACOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107170 779705364 /nfs/dbraw/zinc/70/53/64/779705364.db2.gz KTWSACUIHOPMME-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001088329946 779968159 /nfs/dbraw/zinc/96/81/59/779968159.db2.gz LENMOZNSLZBKNW-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001088339569 779992035 /nfs/dbraw/zinc/99/20/35/779992035.db2.gz JLFKASNFPCSSNC-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001088404851 780078859 /nfs/dbraw/zinc/07/88/59/780078859.db2.gz IFXGWBADKZIWCP-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576515 780772892 /nfs/dbraw/zinc/77/28/92/780772892.db2.gz GACVJMNSPKJLIL-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168346219 780862690 /nfs/dbraw/zinc/86/26/90/780862690.db2.gz YDKIYVGHPIZAMI-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001091026539 790838088 /nfs/dbraw/zinc/83/80/88/790838088.db2.gz PMUZJRBHZPVJQY-NRXISQOPSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088769076 780968714 /nfs/dbraw/zinc/96/87/14/780968714.db2.gz QDVWDRZRNRRUND-HYVNUMGLSA-N 2 0 305.466 2.016 20 30 DEEDRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)Cc1cccc(C#N)c1 ZINC001171183327 790909708 /nfs/dbraw/zinc/90/97/08/790909708.db2.gz DNVUSWOMWXWWGM-MRXNPFEDSA-N 2 0 302.466 2.092 20 30 DEEDRP C[C@H](Cc1cccc(C#N)c1)N(CCC[NH3+])CCC[NH+](C)C ZINC001171189628 790922131 /nfs/dbraw/zinc/92/21/31/790922131.db2.gz HYSHBWNGUWWFKR-MRXNPFEDSA-N 2 0 302.466 2.092 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947937039 783273155 /nfs/dbraw/zinc/27/31/55/783273155.db2.gz ZWYSFDOZGJWQEC-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910825 783420375 /nfs/dbraw/zinc/42/03/75/783420375.db2.gz QJDFHIRGFHKZPE-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)Cn2cncc2C)CC1 ZINC000948621674 783533296 /nfs/dbraw/zinc/53/32/96/783533296.db2.gz UPMORHIDQPESNN-INIZCTEOSA-N 2 0 304.438 2.081 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001085352426 783649197 /nfs/dbraw/zinc/64/91/97/783649197.db2.gz GVJGTBXWGVBBKA-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778638 784067736 /nfs/dbraw/zinc/06/77/36/784067736.db2.gz CZSSHRHYKACQBA-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330509 784293243 /nfs/dbraw/zinc/29/32/43/784293243.db2.gz AAYWSXCKCKOBDZ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460563 784399084 /nfs/dbraw/zinc/39/90/84/784399084.db2.gz WRPZOTAYGZZRLQ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086098647 784407692 /nfs/dbraw/zinc/40/76/92/784407692.db2.gz OPZZWPVHDQXKCC-OTVXOJSOSA-N 2 0 321.490 2.484 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086119658 784420284 /nfs/dbraw/zinc/42/02/84/784420284.db2.gz VZFDREUMDXKIFS-YVSFHVDLSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516442 784439810 /nfs/dbraw/zinc/43/98/10/784439810.db2.gz AZAWMPSCSJMXFH-YJBOKZPZSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674339 784534002 /nfs/dbraw/zinc/53/40/02/784534002.db2.gz QOYDULJCZYJLII-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086454452 784746643 /nfs/dbraw/zinc/74/66/43/784746643.db2.gz MQQCUKNDQFTLBW-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP C/C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001169005961 785000430 /nfs/dbraw/zinc/00/04/30/785000430.db2.gz DOTRQPKBLCDIIO-HZPDHXFCSA-N 2 0 304.394 2.099 20 30 DEEDRP 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 785221376 /nfs/dbraw/zinc/22/13/76/785221376.db2.gz BSIIJFHJTBVMIV-KSWRQPAISA-N 2 0 305.466 2.014 20 30 DEEDRP 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 785221909 /nfs/dbraw/zinc/22/19/09/785221909.db2.gz BGGLHPQRTKRPSE-JCECYMMASA-N 2 0 319.493 2.404 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001091309417 791092999 /nfs/dbraw/zinc/09/29/99/791092999.db2.gz IBWAHVXICXJKGP-UHFFFAOYSA-N 2 0 310.401 2.156 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008751163 785294339 /nfs/dbraw/zinc/29/43/39/785294339.db2.gz ZARATFKEWRJPLH-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717766 785503524 /nfs/dbraw/zinc/50/35/24/785503524.db2.gz UPSGSERXDCWYNU-JYJNAYRXSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749976 785524037 /nfs/dbraw/zinc/52/40/37/785524037.db2.gz RCRFGBIODVONMD-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 785861118 /nfs/dbraw/zinc/86/11/18/785861118.db2.gz BANNYYFKDSYNCH-NCOADZHNSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563112 786159220 /nfs/dbraw/zinc/15/92/20/786159220.db2.gz GIWXMUYGZZCZKK-LNLFQRSKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402902 786569309 /nfs/dbraw/zinc/56/93/09/786569309.db2.gz KCRXHQCDRNUDHE-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114040678 787073222 /nfs/dbraw/zinc/07/32/22/787073222.db2.gz AAULWGYRVYWZNK-TWMKSMIVSA-N 2 0 307.482 2.097 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189587 787309730 /nfs/dbraw/zinc/30/97/30/787309730.db2.gz QGKBUDJCKDJZFR-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001096607729 787756234 /nfs/dbraw/zinc/75/62/34/787756234.db2.gz JBGYTIGUSIIYII-QZWWFDLISA-N 2 0 305.466 2.158 20 30 DEEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132366298 788041958 /nfs/dbraw/zinc/04/19/58/788041958.db2.gz ZWJCLYABMSFDJH-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420058 788061720 /nfs/dbraw/zinc/06/17/20/788061720.db2.gz MGBIGZHGFXEVKF-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454223 788181698 /nfs/dbraw/zinc/18/16/98/788181698.db2.gz QXOGPDHRGOJZGY-ZACQAIPSSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097694954 788183284 /nfs/dbraw/zinc/18/32/84/788183284.db2.gz LYNCBRPKEBTZNB-MLHJIOFPSA-N 2 0 319.493 2.406 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953225 788241251 /nfs/dbraw/zinc/24/12/51/788241251.db2.gz CWEUUFLYEYCPJR-DOTOQJQBSA-N 2 0 324.428 2.045 20 30 DEEDRP 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 788252297 /nfs/dbraw/zinc/25/22/97/788252297.db2.gz MKMQOUZDWPUXGH-VQHPVUNQSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133069121 788273129 /nfs/dbraw/zinc/27/31/29/788273129.db2.gz OWJBINYNINOHIP-DLBZAZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133071641 788273934 /nfs/dbraw/zinc/27/39/34/788273934.db2.gz ACEHIPWEDWIMRW-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133190250 788312747 /nfs/dbraw/zinc/31/27/47/788312747.db2.gz FSBRBODQIBTABX-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584785 788989111 /nfs/dbraw/zinc/98/91/11/788989111.db2.gz XAXFRIYBGFQREO-QWHCGFSZSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784266 789082713 /nfs/dbraw/zinc/08/27/13/789082713.db2.gz SAIHQJHEXOKIFQ-JKSUJKDBSA-N 2 0 318.465 2.357 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135080890 789192300 /nfs/dbraw/zinc/19/23/00/789192300.db2.gz CZLBSPYXRUWSIP-CVEARBPZSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135080893 789193523 /nfs/dbraw/zinc/19/35/23/789193523.db2.gz CZLBSPYXRUWSIP-JKSUJKDBSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135102371 789199406 /nfs/dbraw/zinc/19/94/06/789199406.db2.gz ZENBQSJDEIRVKI-SJORKVTESA-N 2 0 321.509 2.395 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675980 789442885 /nfs/dbraw/zinc/44/28/85/789442885.db2.gz OGVCQUORHMSOLK-CVEARBPZSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902188 789553349 /nfs/dbraw/zinc/55/33/49/789553349.db2.gz OUGVOAGHJCVKAF-CABCVRRESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944591 789569564 /nfs/dbraw/zinc/56/95/64/789569564.db2.gz MSVLOEKEWTZNGY-KGLIPLIRSA-N 2 0 304.438 2.210 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507704 789748351 /nfs/dbraw/zinc/74/83/51/789748351.db2.gz AKFDOEFHWZMOEI-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071629276 789827447 /nfs/dbraw/zinc/82/74/47/789827447.db2.gz XLSWBWFXIQBIQA-GOEBONIOSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957316 789986881 /nfs/dbraw/zinc/98/68/81/789986881.db2.gz GVJBTTJKESMJLL-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071996825 790004010 /nfs/dbraw/zinc/00/40/10/790004010.db2.gz VHEFUGGEBBHMEC-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072811801 790256818 /nfs/dbraw/zinc/25/68/18/790256818.db2.gz HLCSZTRUXWTFCD-QGZVFWFLSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146584692 791310229 /nfs/dbraw/zinc/31/02/29/791310229.db2.gz UMHKARHWOLRVOH-CVEARBPZSA-N 2 0 315.461 2.258 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147459554 791540162 /nfs/dbraw/zinc/54/01/62/791540162.db2.gz PFIVJLVTLJAFNY-KRWDZBQOSA-N 2 0 303.450 2.351 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943349 791857582 /nfs/dbraw/zinc/85/75/82/791857582.db2.gz RQOHASGZKTXOED-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956433 791864366 /nfs/dbraw/zinc/86/43/66/791864366.db2.gz NPBAJJMRQSCKEY-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171354188 791869027 /nfs/dbraw/zinc/86/90/27/791869027.db2.gz KEAPEIYNFJGCMT-CQSZACIVSA-N 2 0 304.438 2.212 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091788339 791883974 /nfs/dbraw/zinc/88/39/74/791883974.db2.gz WXKPHSFLGFOECH-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809673 791885405 /nfs/dbraw/zinc/88/54/05/791885405.db2.gz PGOJXHGLIKZBOK-AOIWGVFYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092299745 791972495 /nfs/dbraw/zinc/97/24/95/791972495.db2.gz GKWFMPSURGPFLM-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092828580 792145650 /nfs/dbraw/zinc/14/56/50/792145650.db2.gz MNXYZDIZORMABH-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099310552 792166918 /nfs/dbraw/zinc/16/69/18/792166918.db2.gz PHHSYYMUYFACPU-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP 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 792240668 /nfs/dbraw/zinc/24/06/68/792240668.db2.gz VRAPZZXNQCDTMT-XSLAGTTESA-N 2 0 319.493 2.072 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380532 792898670 /nfs/dbraw/zinc/89/86/70/792898670.db2.gz SBLISAAARVFDHD-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036517 792978174 /nfs/dbraw/zinc/97/81/74/792978174.db2.gz RPXJIQKRVDPDRL-JCYILVPMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171501257 793114804 /nfs/dbraw/zinc/11/48/04/793114804.db2.gz QRWFCKKGGGACSG-ZIAGYGMSSA-N 2 0 303.878 2.344 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436959 793160064 /nfs/dbraw/zinc/16/00/64/793160064.db2.gz VLCRJOLSPKIPGU-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001172303752 793392606 /nfs/dbraw/zinc/39/26/06/793392606.db2.gz DRYGVOQCKOKXOW-OAHLLOKOSA-N 2 0 313.445 2.190 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001094955232 793510974 /nfs/dbraw/zinc/51/09/74/793510974.db2.gz UJKOANSAMKFYKP-XIRDDKMYSA-N 2 0 324.428 2.493 20 30 DEEDRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970507 793547783 /nfs/dbraw/zinc/54/77/83/793547783.db2.gz GOLHWZSJUBLZLF-GJZGRUSLSA-N 2 0 324.469 2.337 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599319 793669641 /nfs/dbraw/zinc/66/96/41/793669641.db2.gz YTZZUJFNEOXWMS-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024940 794334718 /nfs/dbraw/zinc/33/47/18/794334718.db2.gz UXBSSSMGIHTMKQ-CQSZACIVSA-N 2 0 303.878 2.345 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176112638 794362043 /nfs/dbraw/zinc/36/20/43/794362043.db2.gz XHJXCYYGZLRBRS-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001176358943 794413891 /nfs/dbraw/zinc/41/38/91/794413891.db2.gz PSGYGWOZKSGYSP-AEFFLSMTSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450797 794777670 /nfs/dbraw/zinc/77/76/70/794777670.db2.gz OTJOEVGDXYVUTG-CQSZACIVSA-N 2 0 313.873 2.242 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001115547379 794815835 /nfs/dbraw/zinc/81/58/35/794815835.db2.gz VYJJLNNZTJOFKX-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001115759993 794910545 /nfs/dbraw/zinc/91/05/45/794910545.db2.gz IEHZJHAXZFCXJL-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCCCC1 ZINC001115776365 794916665 /nfs/dbraw/zinc/91/66/65/794916665.db2.gz NOPLTCVQMLRFJH-QGZVFWFLSA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178734217 794986695 /nfs/dbraw/zinc/98/66/95/794986695.db2.gz YXATUOAEAOYRKZ-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178926456 795023875 /nfs/dbraw/zinc/02/38/75/795023875.db2.gz XCWNSHCUEAECPQ-ULQDDVLXSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259358 795072087 /nfs/dbraw/zinc/07/20/87/795072087.db2.gz WMCVBRYXRUPHIA-HOTGVXAUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180156898 795252494 /nfs/dbraw/zinc/25/24/94/795252494.db2.gz LGUOHUIYRICQSM-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001120197013 795421097 /nfs/dbraw/zinc/42/10/97/795421097.db2.gz ROHRKYBFSWQBAI-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422807 795455789 /nfs/dbraw/zinc/45/57/89/795455789.db2.gz OOKWSGCSVJOJNF-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440479 795459555 /nfs/dbraw/zinc/45/95/55/795459555.db2.gz NQPNALDTCRJFKS-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP 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 795486133 /nfs/dbraw/zinc/48/61/33/795486133.db2.gz RUQGGIYNFTYETP-YWTNHNAXSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121254799 795608322 /nfs/dbraw/zinc/60/83/22/795608322.db2.gz BPZKRKCBLKUXMC-LMBQMVEXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481360 795609315 /nfs/dbraw/zinc/60/93/15/795609315.db2.gz GMRNGSRBIIVNAS-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121653456 795668533 /nfs/dbraw/zinc/66/85/33/795668533.db2.gz FYUQFBKLNXWCQR-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001122151112 795731459 /nfs/dbraw/zinc/73/14/59/795731459.db2.gz DNKODHYFIQEPIT-IYBDPMFKSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122243015 795739488 /nfs/dbraw/zinc/73/94/88/795739488.db2.gz WRHIUVLZILRILD-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184577887 796087473 /nfs/dbraw/zinc/08/74/73/796087473.db2.gz QAODRMKOCOXLMI-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184736792 796117857 /nfs/dbraw/zinc/11/78/57/796117857.db2.gz WYULBFUFFOKAFR-HOCLYGCPSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185071661 796183725 /nfs/dbraw/zinc/18/37/25/796183725.db2.gz ABQRQXGHTKMBDH-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185170486 796201896 /nfs/dbraw/zinc/20/18/96/796201896.db2.gz PWIMLBFHQFSJDS-HZPDHXFCSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185682788 796303906 /nfs/dbraw/zinc/30/39/06/796303906.db2.gz UFAFMLFIRKGCBA-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185680963 796308639 /nfs/dbraw/zinc/30/86/39/796308639.db2.gz HYFNNGKRXDEVGR-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185762142 796311774 /nfs/dbraw/zinc/31/17/74/796311774.db2.gz MRQCAMZHKVDQQE-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857457 796590104 /nfs/dbraw/zinc/59/01/04/796590104.db2.gz MWCWCECSOOFPKF-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001161219723 796693599 /nfs/dbraw/zinc/69/35/99/796693599.db2.gz MRUFKSLJHZVHNP-UHFFFAOYSA-N 2 0 319.493 2.126 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190656941 797050536 /nfs/dbraw/zinc/05/05/36/797050536.db2.gz YEKUHEQUXMENRV-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190891155 797103314 /nfs/dbraw/zinc/10/33/14/797103314.db2.gz YPXQCOPJDJIXOJ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153387514 797331436 /nfs/dbraw/zinc/33/14/36/797331436.db2.gz FLTCTCNQNVWCRF-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001192293307 797355797 /nfs/dbraw/zinc/35/57/97/797355797.db2.gz HRLXRDJEKYDFHN-HUUCEWRRSA-N 2 0 316.449 2.329 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677385 797375050 /nfs/dbraw/zinc/37/50/50/797375050.db2.gz ATUFXOAZENYTKH-CYBMUJFWSA-N 2 0 309.479 2.436 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083403 797458680 /nfs/dbraw/zinc/45/86/80/797458680.db2.gz VARJRJVTZQMGMG-MRXNPFEDSA-N 2 0 318.465 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203792343 797708040 /nfs/dbraw/zinc/70/80/40/797708040.db2.gz OSSASHFPWMLTIL-JKSUJKDBSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158195787 798358337 /nfs/dbraw/zinc/35/83/37/798358337.db2.gz DTIFHRGAIICQJY-KRWDZBQOSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158336141 798387157 /nfs/dbraw/zinc/38/71/57/798387157.db2.gz HYVMHSBCESIYAM-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385791 798398992 /nfs/dbraw/zinc/39/89/92/798398992.db2.gz QXNDXQNWRZNYGG-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159629101 798590748 /nfs/dbraw/zinc/59/07/48/798590748.db2.gz UGLZBOCELQVXGJ-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160132007 798652316 /nfs/dbraw/zinc/65/23/16/798652316.db2.gz ZPIDZBLBSMCROC-ROUUACIJSA-N 2 0 317.477 2.185 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160156664 798656051 /nfs/dbraw/zinc/65/60/51/798656051.db2.gz WJZHLEZWADNUKR-SFHVURJKSA-N 2 0 317.477 2.043 20 30 DEEDRP Cc1nc(Cl)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1C#N ZINC001160946245 798767747 /nfs/dbraw/zinc/76/77/47/798767747.db2.gz XLKCIOVRXKRLNB-UHFFFAOYSA-N 2 0 312.764 2.150 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161205081 798809341 /nfs/dbraw/zinc/80/93/41/798809341.db2.gz CDLGKNVSZHSSQJ-MRXNPFEDSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CCN(CCC(F)(F)F)CC1 ZINC001202356158 798872446 /nfs/dbraw/zinc/87/24/46/798872446.db2.gz OBFOQNPJOZGNCK-UHFFFAOYSA-N 2 0 305.388 2.230 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504320 798872703 /nfs/dbraw/zinc/87/27/03/798872703.db2.gz HOVVBCDJTAELGL-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161699552 798915335 /nfs/dbraw/zinc/91/53/35/798915335.db2.gz UGNIEHAAOGOFFJ-MSOLQXFVSA-N 2 0 319.493 2.431 20 30 DEEDRP 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 798998682 /nfs/dbraw/zinc/99/86/82/798998682.db2.gz DRXGLQONLLHDIE-OAGGEKHMSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531827 799618452 /nfs/dbraw/zinc/61/84/52/799618452.db2.gz UCVBXCASJLNBFT-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165485569 799737054 /nfs/dbraw/zinc/73/70/54/799737054.db2.gz ZCDZAWWDXIHKRO-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166380736 799864859 /nfs/dbraw/zinc/86/48/59/799864859.db2.gz IJIWSRAMBFCOAI-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205314945 800342162 /nfs/dbraw/zinc/34/21/62/800342162.db2.gz WNTHZPXAZLAFKC-SFHVURJKSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461023 800360216 /nfs/dbraw/zinc/36/02/16/800360216.db2.gz DFKCOLDTLPFJLB-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205518609 800366874 /nfs/dbraw/zinc/36/68/74/800366874.db2.gz DKOFYPYNMMZVSH-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)COc1ccccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205672743 800398643 /nfs/dbraw/zinc/39/86/43/800398643.db2.gz LKDYJSYVYCNESN-GOSISDBHSA-N 2 0 304.434 2.317 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206275610 800501736 /nfs/dbraw/zinc/50/17/36/800501736.db2.gz WWPVSGPMMFDDGB-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498470 800997154 /nfs/dbraw/zinc/99/71/54/800997154.db2.gz QTNYFECLGUDFET-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208606189 801027373 /nfs/dbraw/zinc/02/73/73/801027373.db2.gz DKHBCIGCTOCDBM-IPMKNSEASA-N 2 0 322.493 2.402 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150588 801136593 /nfs/dbraw/zinc/13/65/93/801136593.db2.gz SGJPVOCCBHOOLI-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCC[N@@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001209202768 801150023 /nfs/dbraw/zinc/15/00/23/801150023.db2.gz IENJOVGJQWTEMA-UHFFFAOYSA-N 2 0 300.410 2.085 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250064 801159345 /nfs/dbraw/zinc/15/93/45/801159345.db2.gz ATAZYWNYNJAVHP-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209950266 801312197 /nfs/dbraw/zinc/31/21/97/801312197.db2.gz DMKZEYRUMIWQDB-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230046939 801355061 /nfs/dbraw/zinc/35/50/61/801355061.db2.gz NETCEGXPWRCVRX-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP CNc1ccc(C#N)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267227 801364888 /nfs/dbraw/zinc/36/48/88/801364888.db2.gz XHWUABQLKPHMDG-UHFFFAOYSA-N 2 0 308.389 2.148 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211024968 801499924 /nfs/dbraw/zinc/49/99/24/801499924.db2.gz DMSHJQNVOLVWNK-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211063982 801507385 /nfs/dbraw/zinc/50/73/85/801507385.db2.gz FVMASDHQVBTDRR-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211256384 801537908 /nfs/dbraw/zinc/53/79/08/801537908.db2.gz FDWKTPCVNBZRDD-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224828 801823436 /nfs/dbraw/zinc/82/34/36/801823436.db2.gz YOEHRDKSNFAILD-NXHRZFHOSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216324209 801963286 /nfs/dbraw/zinc/96/32/86/801963286.db2.gz QRCUCPITMKUOSK-KZNAEPCWSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642790 802437873 /nfs/dbraw/zinc/43/78/73/802437873.db2.gz KWWOPERXFYTIKG-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCOc1ccccc1[C@H](C)NC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220663536 802485005 /nfs/dbraw/zinc/48/50/05/802485005.db2.gz HIYVMTXYSRHNGP-HOCLYGCPSA-N 2 0 319.449 2.146 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046698 802635838 /nfs/dbraw/zinc/63/58/38/802635838.db2.gz QWMIIFASGKYFJZ-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045877 802636056 /nfs/dbraw/zinc/63/60/56/802636056.db2.gz USRMAZSHIPXMHU-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001226765786 803155756 /nfs/dbraw/zinc/15/57/56/803155756.db2.gz FPFDLPKLBIISEV-KZNAEPCWSA-N 2 0 319.493 2.290 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408813 803238418 /nfs/dbraw/zinc/23/84/18/803238418.db2.gz YKLXSDOSDMQKQV-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001328035145 1148704527 /nfs/dbraw/zinc/70/45/27/1148704527.db2.gz MHWMZFDTXRNVFQ-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331318422 1149419068 /nfs/dbraw/zinc/41/90/68/1149419068.db2.gz KZEOYSKEMLNICV-BHYGNILZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001331644927 1149574270 /nfs/dbraw/zinc/57/42/70/1149574270.db2.gz RTTKFFDLAGOPEO-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP CC(C)(C)N1CC[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001328478275 1148801116 /nfs/dbraw/zinc/80/11/16/1148801116.db2.gz PABBVAPGAYTSKA-INIZCTEOSA-N 2 0 314.433 2.349 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001500088062 1058483846 /nfs/dbraw/zinc/48/38/46/1058483846.db2.gz IPLQPURUOKYUDC-SJORKVTESA-N 2 0 307.482 2.310 20 30 DEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001460800138 1058509074 /nfs/dbraw/zinc/50/90/74/1058509074.db2.gz IBOOZGJSSXPVIP-HNAYVOBHSA-N 2 0 322.412 2.197 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001501399193 1059489536 /nfs/dbraw/zinc/48/95/36/1059489536.db2.gz CMWUYMISPXBJMP-RCCFBDPRSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001501625364 1059582444 /nfs/dbraw/zinc/58/24/44/1059582444.db2.gz IOLOHTCMRSKDHU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001502366101 1060081172 /nfs/dbraw/zinc/08/11/72/1060081172.db2.gz WSRUIRYGUPFBNQ-QGZVFWFLSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001502809754 1060314791 /nfs/dbraw/zinc/31/47/91/1060314791.db2.gz MUZXBGIEDUBDRS-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001503024117 1060426116 /nfs/dbraw/zinc/42/61/16/1060426116.db2.gz SUCYLLXAKUZWIU-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505445489 1060608875 /nfs/dbraw/zinc/60/88/75/1060608875.db2.gz WGZZRAHXJCIQPT-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001505497524 1060659007 /nfs/dbraw/zinc/65/90/07/1060659007.db2.gz IQQYMXJEOCHBDM-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001505619016 1060784927 /nfs/dbraw/zinc/78/49/27/1060784927.db2.gz SUFPZOJUWXLBBU-QWHCGFSZSA-N 2 0 309.479 2.482 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480085162 1062303994 /nfs/dbraw/zinc/30/39/94/1062303994.db2.gz QCQNAKBBPGQXHZ-INIZCTEOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480089602 1062312065 /nfs/dbraw/zinc/31/20/65/1062312065.db2.gz TUDVTWKPTZNMBB-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001506894999 1062484375 /nfs/dbraw/zinc/48/43/75/1062484375.db2.gz YTLOJBUVULSPGC-VQHPVUNQSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001506957955 1062597284 /nfs/dbraw/zinc/59/72/84/1062597284.db2.gz HDFKRLDKNKLGAL-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480300483 1062606612 /nfs/dbraw/zinc/60/66/12/1062606612.db2.gz NTNNXUVOCTXDSY-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480333090 1062668439 /nfs/dbraw/zinc/66/84/39/1062668439.db2.gz QMOKPBNLSCTXKD-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001480384721 1062766467 /nfs/dbraw/zinc/76/64/67/1062766467.db2.gz CJRHWOKRUJCBQD-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001480404014 1062811304 /nfs/dbraw/zinc/81/13/04/1062811304.db2.gz YGDJMBWKKADXNQ-JCYILVPMSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001507991551 1063490600 /nfs/dbraw/zinc/49/06/00/1063490600.db2.gz OSAYGQSTSODUOC-OAHLLOKOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001493394167 1063765982 /nfs/dbraw/zinc/76/59/82/1063765982.db2.gz RGTKRHHIYCFVQX-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001567452322 1064203671 /nfs/dbraw/zinc/20/36/71/1064203671.db2.gz PMGPKFVNKSZZSO-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567496325 1064224833 /nfs/dbraw/zinc/22/48/33/1064224833.db2.gz HNQPHWVGGOENHU-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001494567025 1064321261 /nfs/dbraw/zinc/32/12/61/1064321261.db2.gz NRVKDWGCZWBSSY-QGZVFWFLSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567713200 1064370524 /nfs/dbraw/zinc/37/05/24/1064370524.db2.gz YSYMDTXNZROACL-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567712947 1064370792 /nfs/dbraw/zinc/37/07/92/1064370792.db2.gz SDLVCTPRTNIKFP-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001567731250 1064384024 /nfs/dbraw/zinc/38/40/24/1064384024.db2.gz KNQMKULRSHEMKV-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001567752069 1064403903 /nfs/dbraw/zinc/40/39/03/1064403903.db2.gz DCVBMIWTNXNMKW-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001494840016 1064501590 /nfs/dbraw/zinc/50/15/90/1064501590.db2.gz QHBCSZPHPAIABH-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494900537 1064560451 /nfs/dbraw/zinc/56/04/51/1064560451.db2.gz NTRJLIDSPFHKOV-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001568067561 1064629463 /nfs/dbraw/zinc/62/94/63/1064629463.db2.gz DRNLHLGKEZOLPE-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001568097520 1064644169 /nfs/dbraw/zinc/64/41/69/1064644169.db2.gz DHTKWTDSEILHIO-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001568465973 1064890923 /nfs/dbraw/zinc/89/09/23/1064890923.db2.gz NWPHOWMEOUVLIJ-SFHVURJKSA-N 2 0 315.461 2.116 20 30 DEEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001495415731 1064891922 /nfs/dbraw/zinc/89/19/22/1064891922.db2.gz OGURYNNZJCMWTO-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001495437942 1064903882 /nfs/dbraw/zinc/90/38/82/1064903882.db2.gz OPHHFAAKDVORPD-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568632516 1065008519 /nfs/dbraw/zinc/00/85/19/1065008519.db2.gz MFVMDXHUHSDRGR-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568679316 1065046230 /nfs/dbraw/zinc/04/62/30/1065046230.db2.gz KUSBUUNGCGJQPC-JQHSSLGASA-N 2 0 315.461 2.002 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001569169403 1065336398 /nfs/dbraw/zinc/33/63/98/1065336398.db2.gz MTPXMNJZDZEVNO-MSOLQXFVSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001496240126 1065357985 /nfs/dbraw/zinc/35/79/85/1065357985.db2.gz XCPUFYYTMONPDY-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001496512353 1065522113 /nfs/dbraw/zinc/52/21/13/1065522113.db2.gz DYOVIYNBERMAMV-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569467672 1065524418 /nfs/dbraw/zinc/52/44/18/1065524418.db2.gz QYBCNRURCKXHFM-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C(C)C ZINC001496563965 1065563964 /nfs/dbraw/zinc/56/39/64/1065563964.db2.gz AFUQVSIEKRTOTQ-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001569864478 1065775414 /nfs/dbraw/zinc/77/54/14/1065775414.db2.gz YUAAAIDTXSTVNS-ULQDDVLXSA-N 2 0 309.498 2.271 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001625757480 1078251039 /nfs/dbraw/zinc/25/10/39/1078251039.db2.gz OFNAPAAKLMBEQA-SFHVURJKSA-N 2 0 317.477 2.377 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001569984356 1065861250 /nfs/dbraw/zinc/86/12/50/1065861250.db2.gz SOQLPZLNANUZMV-CABCVRRESA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001498904547 1066949164 /nfs/dbraw/zinc/94/91/64/1066949164.db2.gz VJVLJVZDXKCXID-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001499130756 1067110204 /nfs/dbraw/zinc/11/02/04/1067110204.db2.gz BXYOWLBVCFWTFC-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP N#Cc1ccc(C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066760 1067488162 /nfs/dbraw/zinc/48/81/62/1067488162.db2.gz SOFXIFMWIVNEGF-RTBURBONSA-N 2 0 311.429 2.291 20 30 DEEDRP N#Cc1ccc(NCCN[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)nc1 ZINC001580070135 1067488986 /nfs/dbraw/zinc/48/89/86/1067488986.db2.gz PLAWMOUPOAIXLX-ZWKOTPCHSA-N 2 0 321.428 2.100 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1F ZINC001580075962 1067490670 /nfs/dbraw/zinc/49/06/70/1067490670.db2.gz LZYJJAYWFCOQRM-DLBZAZTESA-N 2 0 317.408 2.416 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1F ZINC001580076489 1067491775 /nfs/dbraw/zinc/49/17/75/1067491775.db2.gz YLWLRAAOWOODLR-KRWDZBQOSA-N 2 0 317.408 2.288 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570550597 1068001961 /nfs/dbraw/zinc/00/19/61/1068001961.db2.gz BHTQUVOTAVDNGK-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001483618570 1078634226 /nfs/dbraw/zinc/63/42/26/1078634226.db2.gz OYBJFUUEDZMGCP-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267181786 1078645491 /nfs/dbraw/zinc/64/54/91/1078645491.db2.gz NNMOHPZXNCBGQK-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284072798 1078646744 /nfs/dbraw/zinc/64/67/44/1078646744.db2.gz WCNDLVSEVWDNGX-SOLBZPMBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570810632 1068124603 /nfs/dbraw/zinc/12/46/03/1068124603.db2.gz TYSXUNZFFSAROL-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001571467705 1068319715 /nfs/dbraw/zinc/31/97/15/1068319715.db2.gz PLFHPTIHLKRIIA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001571503705 1068363087 /nfs/dbraw/zinc/36/30/87/1068363087.db2.gz UUMCILLNHIJJLV-YQVWRLOYSA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001571626871 1068448086 /nfs/dbraw/zinc/44/80/86/1068448086.db2.gz JEBNBSUMICZMPH-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001571636046 1068453040 /nfs/dbraw/zinc/45/30/40/1068453040.db2.gz RGPCNCPPTZZTKN-QGZVFWFLSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001571639419 1068453632 /nfs/dbraw/zinc/45/36/32/1068453632.db2.gz NQZIYHFUXQXBKC-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001329241308 1148877259 /nfs/dbraw/zinc/87/72/59/1148877259.db2.gz WLFFEMGDNMYDJE-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001267381550 1078814026 /nfs/dbraw/zinc/81/40/26/1078814026.db2.gz DEZNLHPQMXNOOL-QGZVFWFLSA-N 2 0 301.434 2.105 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001521462340 1069244956 /nfs/dbraw/zinc/24/49/56/1069244956.db2.gz DCMWMXWDYGQHBJ-CRAIPNDOSA-N 2 0 315.461 2.233 20 30 DEEDRP C#CCOc1ccc(C[NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001574735406 1069248700 /nfs/dbraw/zinc/24/87/00/1069248700.db2.gz HRLSLMCNHAFJIG-KRWDZBQOSA-N 2 0 314.429 2.089 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001272457465 1078890964 /nfs/dbraw/zinc/89/09/64/1078890964.db2.gz QKDGRRMNOJICRK-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267490146 1078915950 /nfs/dbraw/zinc/91/59/50/1078915950.db2.gz GZCLLEWHROUXQD-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC(=C)C)C(C)C)CC1 ZINC001267512126 1078941766 /nfs/dbraw/zinc/94/17/66/1078941766.db2.gz BABOXQBAOYLNND-UHFFFAOYSA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001649433064 1079116069 /nfs/dbraw/zinc/11/60/69/1079116069.db2.gz FTRGGCSFPVQKOB-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267603679 1079168353 /nfs/dbraw/zinc/16/83/53/1079168353.db2.gz WQMRWYNSIDNKQU-QGZVFWFLSA-N 2 0 309.498 2.319 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001483935514 1079195632 /nfs/dbraw/zinc/19/56/32/1079195632.db2.gz XNBBXHJJKYLAGQ-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001483959647 1079204077 /nfs/dbraw/zinc/20/40/77/1079204077.db2.gz ZTTZSJIJTAGIOV-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483952724 1079207695 /nfs/dbraw/zinc/20/76/95/1079207695.db2.gz LWONMUVPNJFVNU-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484122046 1079312403 /nfs/dbraw/zinc/31/24/03/1079312403.db2.gz OSXIDLOQXYOBHZ-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001565873908 1075201907 /nfs/dbraw/zinc/20/19/07/1075201907.db2.gz OAWHDOYSSQUYHG-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267685133 1079373189 /nfs/dbraw/zinc/37/31/89/1079373189.db2.gz YYAYWHFOIFTFBW-DLBZAZTESA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001566601058 1075294462 /nfs/dbraw/zinc/29/44/62/1075294462.db2.gz VIFSBCXYYOFHFJ-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001566609443 1075296189 /nfs/dbraw/zinc/29/61/89/1075296189.db2.gz VLVHDDYESOFVKQ-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001566709024 1075323155 /nfs/dbraw/zinc/32/31/55/1075323155.db2.gz ONVVCSDVYFVAOQ-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001566739833 1075330729 /nfs/dbraw/zinc/33/07/29/1075330729.db2.gz KZMFTDLURQJIEL-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001567137336 1075441938 /nfs/dbraw/zinc/44/19/38/1075441938.db2.gz LGPPILHBJIESIM-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567195661 1075460392 /nfs/dbraw/zinc/46/03/92/1075460392.db2.gz BDHNVMHUCZZCEC-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484322377 1079537707 /nfs/dbraw/zinc/53/77/07/1079537707.db2.gz DELHYDFSCSLSAD-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001272681806 1079539050 /nfs/dbraw/zinc/53/90/50/1079539050.db2.gz BVVCPSCFMREDCE-MRXNPFEDSA-N 2 0 315.461 2.262 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484346468 1079547490 /nfs/dbraw/zinc/54/74/90/1079547490.db2.gz ZETUELGSVRCEND-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001267941527 1079622084 /nfs/dbraw/zinc/62/20/84/1079622084.db2.gz ZDERGBVWJAJCBL-UHFFFAOYSA-N 2 0 301.434 2.064 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481401290 1079787317 /nfs/dbraw/zinc/78/73/17/1079787317.db2.gz VRSIGQZNQQQURG-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481409833 1079798556 /nfs/dbraw/zinc/79/85/56/1079798556.db2.gz ULFDLQHBIHWGEM-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCC1 ZINC001268037702 1079873477 /nfs/dbraw/zinc/87/34/77/1079873477.db2.gz LJILETODGFRRRN-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C1CCCCC1 ZINC001268121776 1080090032 /nfs/dbraw/zinc/09/00/32/1080090032.db2.gz WXZZRVHHGZSCHP-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001485255572 1080103514 /nfs/dbraw/zinc/10/35/14/1080103514.db2.gz LYGLSFYRRMKPLW-KRWDZBQOSA-N 2 0 321.509 2.204 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001656909880 1080138614 /nfs/dbraw/zinc/13/86/14/1080138614.db2.gz SIPPSGMVSQHFTH-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001268196827 1080185892 /nfs/dbraw/zinc/18/58/92/1080185892.db2.gz FPWPGAMNSXIGDQ-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001268226546 1080208436 /nfs/dbraw/zinc/20/84/36/1080208436.db2.gz BGYMQWHVIBJQJN-ZWKOTPCHSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485570363 1080303206 /nfs/dbraw/zinc/30/32/06/1080303206.db2.gz BUMXYWRYAVDVAU-CABCVRRESA-N 2 0 313.461 2.069 20 30 DEEDRP CC#CC[NH2+][C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001485784867 1080432510 /nfs/dbraw/zinc/43/25/10/1080432510.db2.gz DVGQDLATYLRDPH-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001661213160 1080457610 /nfs/dbraw/zinc/45/76/10/1080457610.db2.gz MGMSMMWGEWUGHO-YESZJQIVSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001661231037 1080460272 /nfs/dbraw/zinc/46/02/72/1080460272.db2.gz CKRGUFLOLWQUST-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP 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 1080484614 /nfs/dbraw/zinc/48/46/14/1080484614.db2.gz ADOBUFMHVXXOCL-DRRXZNNHSA-N 2 0 307.482 2.308 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001661826960 1080529159 /nfs/dbraw/zinc/52/91/59/1080529159.db2.gz GSIIYVFPFPHBRR-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001661881463 1080539024 /nfs/dbraw/zinc/53/90/24/1080539024.db2.gz YTJGEIVQTYBAPJ-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001481844360 1080543353 /nfs/dbraw/zinc/54/33/53/1080543353.db2.gz YEAYWNUNEJVSJS-HUUCEWRRSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001661929669 1080545241 /nfs/dbraw/zinc/54/52/41/1080545241.db2.gz ISKYVHXPYPLVFW-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481991391 1080674081 /nfs/dbraw/zinc/67/40/81/1080674081.db2.gz NCRDLRKYQUIGFH-SFHVURJKSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663423474 1080745548 /nfs/dbraw/zinc/74/55/48/1080745548.db2.gz TWTTWOIBKOVEFO-KRWDZBQOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663548654 1080771727 /nfs/dbraw/zinc/77/17/27/1080771727.db2.gz UYESRBSPXGVNSO-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001664891348 1080976894 /nfs/dbraw/zinc/97/68/94/1080976894.db2.gz UZZHPQDXWZPDQN-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001665317860 1081012436 /nfs/dbraw/zinc/01/24/36/1081012436.db2.gz ZAWDTBIUEVRWSP-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001667695088 1081274875 /nfs/dbraw/zinc/27/48/75/1081274875.db2.gz UUPGJQMJZVRROJ-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001269699789 1081337776 /nfs/dbraw/zinc/33/77/76/1081337776.db2.gz JNEMEWFDWMHSNG-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001269731374 1081349177 /nfs/dbraw/zinc/34/91/77/1081349177.db2.gz ZINJIKUCMBDCLJ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883879 1081407044 /nfs/dbraw/zinc/40/70/44/1081407044.db2.gz VARPHMZPJHRGNS-SGUAIBKKSA-N 2 0 305.466 2.232 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H](C)C1 ZINC001269971354 1081413049 /nfs/dbraw/zinc/41/30/49/1081413049.db2.gz GNQOZNMPLDVGEL-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669001055 1081417780 /nfs/dbraw/zinc/41/77/80/1081417780.db2.gz KCNZOPAZKAPBKP-IHGMSIMLSA-N 2 0 307.482 2.333 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001270293229 1081495619 /nfs/dbraw/zinc/49/56/19/1081495619.db2.gz LWONMUVPNJFVNU-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC)CC1 ZINC001270358656 1081508488 /nfs/dbraw/zinc/50/84/88/1081508488.db2.gz LXNIEYRVNAHCDG-FUHWJXTLSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001671748526 1081536632 /nfs/dbraw/zinc/53/66/32/1081536632.db2.gz VTMQOKMEAOGMEL-FUHWJXTLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001672242038 1081571607 /nfs/dbraw/zinc/57/16/07/1081571607.db2.gz ZGIBQVBUDLCTOA-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001672242039 1081571928 /nfs/dbraw/zinc/57/19/28/1081571928.db2.gz ZGIBQVBUDLCTOA-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CN1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444529 1081714178 /nfs/dbraw/zinc/71/41/78/1081714178.db2.gz VJKOHFUMHYCNML-NVXWUHKLSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001673135954 1081740944 /nfs/dbraw/zinc/74/09/44/1081740944.db2.gz DVUSPLHQXHUAKU-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001270848403 1081742731 /nfs/dbraw/zinc/74/27/31/1081742731.db2.gz UEGRTYIXUZVTEJ-GOSISDBHSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001111408266 1081820525 /nfs/dbraw/zinc/82/05/25/1081820525.db2.gz QESAGFJXFFMRLB-DZUCGIPZSA-N 2 0 316.449 2.268 20 30 DEEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001674429721 1081869941 /nfs/dbraw/zinc/86/99/41/1081869941.db2.gz TYRKAKMNIASUES-FGTMMUONSA-N 2 0 315.461 2.275 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266247344 1081915355 /nfs/dbraw/zinc/91/53/55/1081915355.db2.gz IXVUWPWUHBYKSU-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001266468212 1082056515 /nfs/dbraw/zinc/05/65/15/1082056515.db2.gz MDQYOJAHURUDDS-DLBZAZTESA-N 2 0 316.449 2.074 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271541764 1082077326 /nfs/dbraw/zinc/07/73/26/1082077326.db2.gz YVGPXEIRWOZUBN-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266701103 1082292937 /nfs/dbraw/zinc/29/29/37/1082292937.db2.gz GDYNKMXUNDBRPL-IYBDPMFKSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266807004 1082359529 /nfs/dbraw/zinc/35/95/29/1082359529.db2.gz BFFHJFMSZLMWKB-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001266914551 1082450586 /nfs/dbraw/zinc/45/05/86/1082450586.db2.gz PQZXSQNBJDOJDT-AOCRQIFASA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001671138564 1083403382 /nfs/dbraw/zinc/40/33/82/1083403382.db2.gz ZZWYMFFNIAZDNQ-DOTOQJQBSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614162 1083519169 /nfs/dbraw/zinc/51/91/69/1083519169.db2.gz UUFVKJSPXLZYDO-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001277359871 1083926326 /nfs/dbraw/zinc/92/63/26/1083926326.db2.gz KKJNZUHCLDSEEJ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001491192097 1084139202 /nfs/dbraw/zinc/13/92/02/1084139202.db2.gz ZFBFSSSBZUISQY-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729594 1084163210 /nfs/dbraw/zinc/16/32/10/1084163210.db2.gz LKWGBEQTWVXYBP-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001491263970 1084191026 /nfs/dbraw/zinc/19/10/26/1084191026.db2.gz FCYXCOPSKNCTEJ-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001491270095 1084191795 /nfs/dbraw/zinc/19/17/95/1084191795.db2.gz XRMYFXMLZHRWBB-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001491354362 1084251909 /nfs/dbraw/zinc/25/19/09/1084251909.db2.gz HHNANPFXFFLMID-SJJHQCBESA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001491360116 1084257606 /nfs/dbraw/zinc/25/76/06/1084257606.db2.gz CUIHSQMWDKSIQC-OFLPRAFFSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCN(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C(=O)OCC ZINC001235425470 1084426711 /nfs/dbraw/zinc/42/67/11/1084426711.db2.gz LHQGLVJNHZQJPV-IRXDYDNUSA-N 2 0 323.481 2.343 20 30 DEEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236072618 1084602700 /nfs/dbraw/zinc/60/27/00/1084602700.db2.gz GUJWDKKXRJDVTE-SFHVURJKSA-N 2 0 315.461 2.249 20 30 DEEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236072616 1084603266 /nfs/dbraw/zinc/60/32/66/1084603266.db2.gz GUJWDKKXRJDVTE-GOSISDBHSA-N 2 0 315.461 2.249 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001486082927 1085048407 /nfs/dbraw/zinc/04/84/07/1085048407.db2.gz DVLYYEOQQQBGHP-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001486159348 1085099488 /nfs/dbraw/zinc/09/94/88/1085099488.db2.gz GEEKABIMYMGHJR-SJLPKXTDSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000964014954 1085146966 /nfs/dbraw/zinc/14/69/66/1085146966.db2.gz HAPZHUYHHDNARY-ABHNRTSZSA-N 2 0 319.493 2.242 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000964437230 1085227605 /nfs/dbraw/zinc/22/76/05/1085227605.db2.gz NVSAPWIKOUDJIF-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000964534152 1085263044 /nfs/dbraw/zinc/26/30/44/1085263044.db2.gz RWLLKIPSPGSJOX-RFSHTEQGSA-N 2 0 317.477 2.064 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001486439604 1085322882 /nfs/dbraw/zinc/32/28/82/1085322882.db2.gz FQOBPUSRSDGQOW-NVXWUHKLSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000965061228 1085510247 /nfs/dbraw/zinc/51/02/47/1085510247.db2.gz AUTADTYDEZGPHQ-JFPDKAJLSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)CC2([NH+](C)C)CCCC2)CCCCC1 ZINC001115650371 1087004457 /nfs/dbraw/zinc/00/44/57/1087004457.db2.gz VJRRWDZTKGIBHT-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001114832001 1088919788 /nfs/dbraw/zinc/91/97/88/1088919788.db2.gz JOLQFOAQZPRITJ-VXNCWWDNSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001085035736 1090605939 /nfs/dbraw/zinc/60/59/39/1090605939.db2.gz OJQZJZGRJIJUTD-IKGGRYGDSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCCCCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276042851 1091474407 /nfs/dbraw/zinc/47/44/07/1091474407.db2.gz JECGGCVTFUJTIL-KDURUIRLSA-N 2 0 323.525 2.460 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275042360 1091528365 /nfs/dbraw/zinc/52/83/65/1091528365.db2.gz IKPYNYMIGZHEOR-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275073056 1091541421 /nfs/dbraw/zinc/54/14/21/1091541421.db2.gz WKEMRTADUHPQHK-KZNAEPCWSA-N 2 0 315.461 2.130 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557445 1091545069 /nfs/dbraw/zinc/54/50/69/1091545069.db2.gz GUODRIGCVOMCIG-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001275114730 1091564423 /nfs/dbraw/zinc/56/44/23/1091564423.db2.gz KQUDPIVVTWAFLS-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001276123846 1091567116 /nfs/dbraw/zinc/56/71/16/1091567116.db2.gz YTIGULLYDPOTHR-QZTJIDSGSA-N 2 0 321.509 2.367 20 30 DEEDRP CCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001275126556 1091572105 /nfs/dbraw/zinc/57/21/05/1091572105.db2.gz LTGPPLRWSJWBMJ-HOTGVXAUSA-N 2 0 307.482 2.099 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475818 1091869116 /nfs/dbraw/zinc/86/91/16/1091869116.db2.gz UAZPDXXMNADLQO-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832861 1091959821 /nfs/dbraw/zinc/95/98/21/1091959821.db2.gz CHQDODKWNAAGFS-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829404 1091960168 /nfs/dbraw/zinc/96/01/68/1091960168.db2.gz MMVPTXHADPJNEK-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001280744635 1092107801 /nfs/dbraw/zinc/10/78/01/1092107801.db2.gz NOBDOKXMIWRWED-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001275793429 1092135699 /nfs/dbraw/zinc/13/56/99/1092135699.db2.gz OVCWFCVFRSLLOX-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001006443815 1092170278 /nfs/dbraw/zinc/17/02/78/1092170278.db2.gz ONSZBEHBXHERKZ-HZPDHXFCSA-N 2 0 307.482 2.358 20 30 DEEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc[nH]2)CC3)cc1C#N ZINC001275855321 1092238103 /nfs/dbraw/zinc/23/81/03/1092238103.db2.gz OCJALOVSDXUZNI-UHFFFAOYSA-N 2 0 323.444 2.323 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001488968328 1092855573 /nfs/dbraw/zinc/85/55/73/1092855573.db2.gz NGRQKGRNOCYBDE-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001490616724 1093447272 /nfs/dbraw/zinc/44/72/72/1093447272.db2.gz KVBQIXJLGDETDS-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP CCc1cc(C#N)ccc1CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236931420 1138459808 /nfs/dbraw/zinc/45/98/08/1138459808.db2.gz GMGLJUSHTUVBKW-LJQANCHMSA-N 2 0 314.477 2.236 20 30 DEEDRP C[NH+](C)CCN(Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236934775 1138462051 /nfs/dbraw/zinc/46/20/51/1138462051.db2.gz ZCZQQFREWQZWBL-QGZVFWFLSA-N 2 0 320.868 2.327 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957638 1138929943 /nfs/dbraw/zinc/92/99/43/1138929943.db2.gz SIOCCKCMHVITTC-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001318541958 1140362644 /nfs/dbraw/zinc/36/26/44/1140362644.db2.gz PUEFSINMBVIKAU-AWEZNQCLSA-N 2 0 300.406 2.317 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001318806094 1140423636 /nfs/dbraw/zinc/42/36/36/1140423636.db2.gz REDBUHCLNGPOOU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001319943770 1140805785 /nfs/dbraw/zinc/80/57/85/1140805785.db2.gz LMVRGHWZWSJJPN-NVXWUHKLSA-N 2 0 309.498 2.413 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1CO ZINC001246001017 1140844244 /nfs/dbraw/zinc/84/42/44/1140844244.db2.gz GDTDTSCDMXCKJP-FGTMMUONSA-N 2 0 314.514 2.438 20 30 DEEDRP C=C[C@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001320299863 1140845848 /nfs/dbraw/zinc/84/58/48/1140845848.db2.gz VGNUEBVXGUMYOJ-QGZVFWFLSA-N 2 0 304.434 2.452 20 30 DEEDRP C[C@H]1CC[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246318265 1140883786 /nfs/dbraw/zinc/88/37/86/1140883786.db2.gz ZQWPXTOKYKTVCY-WMZOPIPTSA-N 2 0 312.461 2.275 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719883 1141043875 /nfs/dbraw/zinc/04/38/75/1141043875.db2.gz HMXUCLXOFYRCTE-BRSBDYLESA-N 2 0 308.466 2.201 20 30 DEEDRP C=CC[NH2+]Cc1nc2c(cccc2F)n1CC1CC[NH2+]CC1 ZINC001247032337 1141254102 /nfs/dbraw/zinc/25/41/02/1141254102.db2.gz XGKOSKNJNAXRAJ-UHFFFAOYSA-N 2 0 302.397 2.451 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001278504804 1141779978 /nfs/dbraw/zinc/77/99/78/1141779978.db2.gz NSXOEEDAMIAZGW-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860222 1141894332 /nfs/dbraw/zinc/89/43/32/1141894332.db2.gz OXZSUNOXGCDLGR-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCOC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001252470206 1142722885 /nfs/dbraw/zinc/72/28/85/1142722885.db2.gz IWOKXSPABFIJPR-RBUKOAKNSA-N 2 0 318.461 2.004 20 30 DEEDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254664138 1143305620 /nfs/dbraw/zinc/30/56/20/1143305620.db2.gz UKWQGJOYANCKID-ZSYWTGECSA-N 2 0 317.477 2.359 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)CN(CC)CC2 ZINC001340773050 1143437121 /nfs/dbraw/zinc/43/71/21/1143437121.db2.gz GRNKECKNZKSSTH-NSHDSACASA-N 2 0 308.451 2.143 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1=CCC[NH2+]CC1)C(C)C ZINC001341555501 1143627680 /nfs/dbraw/zinc/62/76/80/1143627680.db2.gz KJCGTYWVLNBOLY-KRWDZBQOSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC001341675356 1143657825 /nfs/dbraw/zinc/65/78/25/1143657825.db2.gz RVEDYIMLBMETDG-KRWDZBQOSA-N 2 0 321.440 2.400 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC001341675357 1143658897 /nfs/dbraw/zinc/65/88/97/1143658897.db2.gz RVEDYIMLBMETDG-QGZVFWFLSA-N 2 0 321.440 2.400 20 30 DEEDRP C=CCC[C@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001278929863 1143843015 /nfs/dbraw/zinc/84/30/15/1143843015.db2.gz NGMYFUANXVNIEF-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001263921588 1144424463 /nfs/dbraw/zinc/42/44/63/1144424463.db2.gz YMDMWZLAGUXODR-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001264096512 1144463122 /nfs/dbraw/zinc/46/31/22/1144463122.db2.gz MKTBTMRGRJWUKW-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001264679296 1144591167 /nfs/dbraw/zinc/59/11/67/1144591167.db2.gz BIAAAROMELNLRT-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001264740541 1144604451 /nfs/dbraw/zinc/60/44/51/1144604451.db2.gz WJPWVGVSQXBSQI-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001265193706 1144664226 /nfs/dbraw/zinc/66/42/26/1144664226.db2.gz REPCBNSPZMITHF-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265670984 1144725562 /nfs/dbraw/zinc/72/55/62/1144725562.db2.gz YXPIBLFKIPIOSR-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001265684256 1144727575 /nfs/dbraw/zinc/72/75/75/1144727575.db2.gz QUYMCUVVCIRZKZ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001265995248 1144780271 /nfs/dbraw/zinc/78/02/71/1144780271.db2.gz USEPFMCLKOQWLD-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001266005758 1144783365 /nfs/dbraw/zinc/78/33/65/1144783365.db2.gz DDZDOVKXUBLKFG-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001266219130 1144815461 /nfs/dbraw/zinc/81/54/61/1144815461.db2.gz WEFHKVKMOPMVFZ-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266230886 1144816856 /nfs/dbraw/zinc/81/68/56/1144816856.db2.gz VWURVSLQIDDBKY-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576228 1144824959 /nfs/dbraw/zinc/82/49/59/1144824959.db2.gz LTPJQLHKZPHMDL-IRXDYDNUSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279589711 1144825303 /nfs/dbraw/zinc/82/53/03/1144825303.db2.gz YWRSWFMYEXJBKC-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001280053340 1144831415 /nfs/dbraw/zinc/83/14/15/1144831415.db2.gz PAWGTLBPVFKTLZ-FUHWJXTLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001282215050 1145014816 /nfs/dbraw/zinc/01/48/16/1145014816.db2.gz PHHKSTDXMVTJPX-LSDHHAIUSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001283066886 1145254795 /nfs/dbraw/zinc/25/47/95/1145254795.db2.gz IAGMDMDKIASOJB-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001283351719 1145373964 /nfs/dbraw/zinc/37/39/64/1145373964.db2.gz YPDHMBXULHKJQS-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001284544897 1145869464 /nfs/dbraw/zinc/86/94/64/1145869464.db2.gz QADHEKXAKOXJNY-GOSISDBHSA-N 2 0 321.509 2.443 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001284605585 1145878288 /nfs/dbraw/zinc/87/82/88/1145878288.db2.gz YQQWKXFEXQNMNR-IRXDYDNUSA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001284996565 1146004628 /nfs/dbraw/zinc/00/46/28/1146004628.db2.gz XYMXSHOHISDWEL-UHFFFAOYSA-N 2 0 305.466 2.187 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480656465 1146018988 /nfs/dbraw/zinc/01/89/88/1146018988.db2.gz BTGQTYMELINXIX-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001491950469 1147015325 /nfs/dbraw/zinc/01/53/25/1147015325.db2.gz AOHLYSYOOPMDRZ-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317205868 1147274793 /nfs/dbraw/zinc/27/47/93/1147274793.db2.gz FSLZUIFFZPPGRF-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316680194 1147300250 /nfs/dbraw/zinc/30/02/50/1147300250.db2.gz PTDXXNFXQNODTJ-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001316802878 1147602203 /nfs/dbraw/zinc/60/22/03/1147602203.db2.gz RQIWGUTXDLAIPR-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317173660 1147670713 /nfs/dbraw/zinc/67/07/13/1147670713.db2.gz PWGNMICSBSGMJY-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001317217773 1147678795 /nfs/dbraw/zinc/67/87/95/1147678795.db2.gz WXUFRMDNDNKWPE-UHFFFAOYSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317379380 1147699789 /nfs/dbraw/zinc/69/97/89/1147699789.db2.gz NSVAABISDWNCHC-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367762152 1147739213 /nfs/dbraw/zinc/73/92/13/1147739213.db2.gz YLFUCEOSZVDEPT-SWLSCSKDSA-N 2 0 319.852 2.046 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001317786490 1147752442 /nfs/dbraw/zinc/75/24/42/1147752442.db2.gz AJXDZVDCOPZMND-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001325839794 1148006645 /nfs/dbraw/zinc/00/66/45/1148006645.db2.gz GHKKBSCUVTZPHB-INIZCTEOSA-N 2 0 314.433 2.208 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001326526098 1148131617 /nfs/dbraw/zinc/13/16/17/1148131617.db2.gz ZXIMROKUOBUACX-BRSBDYLESA-N 2 0 319.493 2.454 20 30 DEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181691957 199338974 /nfs/dbraw/zinc/33/89/74/199338974.db2.gz LJFGRYSBLZXFKN-DLBZAZTESA-N 2 0 314.477 2.482 20 30 DEEDRP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594442034 358272466 /nfs/dbraw/zinc/27/24/66/358272466.db2.gz ZTHWIMQJUORUPT-IAGOWNOFSA-N 2 0 322.497 2.270 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237600117 202298497 /nfs/dbraw/zinc/29/84/97/202298497.db2.gz JCVBSEBHOAEOMS-RHSMWYFYSA-N 2 0 301.434 2.089 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602588000 360446520 /nfs/dbraw/zinc/44/65/20/360446520.db2.gz KZKSYJGUMLQPSR-CVEARBPZSA-N 2 0 311.470 2.032 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000602487759 360402295 /nfs/dbraw/zinc/40/22/95/360402295.db2.gz TZFKPXSFOVCWDD-UHFFFAOYSA-N 2 0 314.433 2.030 20 30 DEEDRP C=CCOc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1Cl ZINC000623758199 365163010 /nfs/dbraw/zinc/16/30/10/365163010.db2.gz SGQGBUJVHLGAEC-CQSZACIVSA-N 2 0 310.825 2.061 20 30 DEEDRP C=C(C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120238250 401983461 /nfs/dbraw/zinc/98/34/61/401983461.db2.gz AUXSQGGXYOKVJN-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000186598283 402446464 /nfs/dbraw/zinc/44/64/64/402446464.db2.gz XHPGOUQMIVBENH-HZPDHXFCSA-N 2 0 300.450 2.235 20 30 DEEDRP C#CCOc1ccccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000268419804 403081571 /nfs/dbraw/zinc/08/15/71/403081571.db2.gz LGTGGGPBGHXAFB-UHFFFAOYSA-N 2 0 316.445 2.024 20 30 DEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000371331849 404457630 /nfs/dbraw/zinc/45/76/30/404457630.db2.gz LCCVXPOQGJRQAY-QGZVFWFLSA-N 2 0 306.498 2.417 20 30 DEEDRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000342554833 404647527 /nfs/dbraw/zinc/64/75/27/404647527.db2.gz RWRIXXDKBIQDJT-UHFFFAOYSA-N 2 0 322.497 2.192 20 30 DEEDRP C=CCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414791819 404736822 /nfs/dbraw/zinc/73/68/22/404736822.db2.gz RGOXEXGGDJDWHA-KRWDZBQOSA-N 2 0 316.445 2.439 20 30 DEEDRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424126947 405015136 /nfs/dbraw/zinc/01/51/36/405015136.db2.gz CIVQDZWMSRDSFM-CABCVRRESA-N 2 0 322.478 2.268 20 30 DEEDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000354043946 405017874 /nfs/dbraw/zinc/01/78/74/405017874.db2.gz CVSAOASVIGWENN-UHFFFAOYSA-N 2 0 305.422 2.474 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C)C(C)C ZINC000417064455 405024149 /nfs/dbraw/zinc/02/41/49/405024149.db2.gz OQKYXVSSNJTZSA-BRWVUGGUSA-N 2 0 322.497 2.077 20 30 DEEDRP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000568499893 292344832 /nfs/dbraw/zinc/34/48/32/292344832.db2.gz VBUIEFZDFHHHGG-MFNRNEDNSA-N 2 0 314.433 2.373 20 30 DEEDRP C=CC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000458988998 405680114 /nfs/dbraw/zinc/68/01/14/405680114.db2.gz OTJVMBQIJGIKSD-INIZCTEOSA-N 2 0 324.513 2.256 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423371235 405780343 /nfs/dbraw/zinc/78/03/43/405780343.db2.gz FFORZRWCQWZZNV-QGZVFWFLSA-N 2 0 315.461 2.479 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000567131915 406094241 /nfs/dbraw/zinc/09/42/41/406094241.db2.gz AFLGIICMDFWUBQ-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000517233844 406124780 /nfs/dbraw/zinc/12/47/80/406124780.db2.gz FIYCDGBVSFLEAE-LSDHHAIUSA-N 2 0 322.840 2.080 20 30 DEEDRP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000571624051 406544478 /nfs/dbraw/zinc/54/44/78/406544478.db2.gz HUQJAXXXKZYOSX-MAUKXSAKSA-N 2 0 313.445 2.425 20 30 DEEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055212 230332772 /nfs/dbraw/zinc/33/27/72/230332772.db2.gz CXDYJBDBHBHQMD-SQHUISNBSA-N 2 0 302.422 2.359 20 30 DEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353640416 274209427 /nfs/dbraw/zinc/20/94/27/274209427.db2.gz UQLXMXJBDPWCEZ-HNAYVOBHSA-N 2 0 312.461 2.161 20 30 DEEDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422982180 274496369 /nfs/dbraw/zinc/49/63/69/274496369.db2.gz VVZNVTMFEHMFDD-GZBFAFLISA-N 2 0 304.413 2.382 20 30 DEEDRP CN1CC[NH+]=C1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000262661767 277115508 /nfs/dbraw/zinc/11/55/08/277115508.db2.gz NAWAFFUANRYION-UHFFFAOYSA-N 2 0 300.450 2.454 20 30 DEEDRP CC[N@@H+]1CCC[C@@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC001349912143 1151306396 /nfs/dbraw/zinc/30/63/96/1151306396.db2.gz UPGQGFSOWFYYHG-KRWDZBQOSA-N 2 0 302.466 2.426 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)C(C)C ZINC000134571986 341218657 /nfs/dbraw/zinc/21/86/57/341218657.db2.gz RWAPECRBTGOPHO-FUHWJXTLSA-N 2 0 307.482 2.333 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001329824926 1149000197 /nfs/dbraw/zinc/00/01/97/1149000197.db2.gz LWSAVOYOOPRJFI-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001378483054 1152345958 /nfs/dbraw/zinc/34/59/58/1152345958.db2.gz JSWMDNIGJAHAKA-OAHLLOKOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCCn2ccnc2C)C1 ZINC001330061174 1149044153 /nfs/dbraw/zinc/04/41/53/1149044153.db2.gz OHPQGRMMJODWAS-OAHLLOKOSA-N 2 0 318.465 2.374 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001330229306 1149074323 /nfs/dbraw/zinc/07/43/23/1149074323.db2.gz DJMHHISFMASKOA-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC[NH+]2CCC(C)CC2)cc1OC ZINC000264110723 533989591 /nfs/dbraw/zinc/98/95/91/533989591.db2.gz QTWUAOXKIOICIE-UHFFFAOYSA-N 2 0 320.437 2.162 20 30 DEEDRP C[NH+]=C(NCC1CC[NH+](Cc2cccs2)CC1)NC1CC1 ZINC000264099598 526353420 /nfs/dbraw/zinc/35/34/20/526353420.db2.gz YMHNQHNNSYLSLY-UHFFFAOYSA-N 2 0 306.479 2.288 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](CC(C)C)C1 ZINC000262471501 526371877 /nfs/dbraw/zinc/37/18/77/526371877.db2.gz OZPOKIXUWUCWHV-CVEARBPZSA-N 2 0 306.498 2.414 20 30 DEEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)NC[C@@H]1CCCS1 ZINC000261978973 526375088 /nfs/dbraw/zinc/37/50/88/526375088.db2.gz OLIDEKCJAOKGRZ-ILXRZTDVSA-N 2 0 312.527 2.310 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000264090030 526575109 /nfs/dbraw/zinc/57/51/09/526575109.db2.gz KSLBRODMLUNGRR-UHFFFAOYSA-N 2 0 306.479 2.441 20 30 DEEDRP C=CCOCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000339013692 526770923 /nfs/dbraw/zinc/77/09/23/526770923.db2.gz ORMLETOCINRABK-IRXDYDNUSA-N 2 0 310.482 2.400 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])C(C)C ZINC000422838611 527651682 /nfs/dbraw/zinc/65/16/82/527651682.db2.gz XTICXQKQKKIBNF-BSDSXHPESA-N 2 0 309.498 2.027 20 30 DEEDRP CC[NH+]=C(NCC1(C)CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262753004 528802759 /nfs/dbraw/zinc/80/27/59/528802759.db2.gz CKFGRXMRHLDZKR-MRXNPFEDSA-N 2 0 304.482 2.478 20 30 DEEDRP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261950195 528804761 /nfs/dbraw/zinc/80/47/61/528804761.db2.gz HDWMPEXNLQTCFZ-CZUORRHYSA-N 2 0 324.538 2.167 20 30 DEEDRP CC[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCSC(C)(C)C1 ZINC000262033542 528813615 /nfs/dbraw/zinc/81/36/15/528813615.db2.gz XLRCQCGMMUYGNW-CQSZACIVSA-N 2 0 312.527 2.120 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001025253906 625309229 /nfs/dbraw/zinc/30/92/29/625309229.db2.gz YGEXKWPOHQQKBJ-IAGOWNOFSA-N 2 0 316.449 2.223 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023553241 625323647 /nfs/dbraw/zinc/32/36/47/625323647.db2.gz YCYBFYMFJRMHSO-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696941 625392835 /nfs/dbraw/zinc/39/28/35/625392835.db2.gz YZJDZMUUZUVCHC-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310299 625403072 /nfs/dbraw/zinc/40/30/72/625403072.db2.gz OYXZLGWWMPOUMB-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001026429512 625452923 /nfs/dbraw/zinc/45/29/23/625452923.db2.gz XZGVHELDHRBYSD-RCCFBDPRSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475147 625467078 /nfs/dbraw/zinc/46/70/78/625467078.db2.gz RRQJUCWUCYICBO-WBVHZDCISA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001026503430 625485997 /nfs/dbraw/zinc/48/59/97/625485997.db2.gz VAJFLWLZSIPFAN-JCYILVPMSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969951425 623016526 /nfs/dbraw/zinc/01/65/26/623016526.db2.gz ZLZROIDOWMFLHR-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970025904 623065878 /nfs/dbraw/zinc/06/58/78/623065878.db2.gz ALNHCBUOAMLDTR-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970214215 623333869 /nfs/dbraw/zinc/33/38/69/623333869.db2.gz RLCADHYECHUMEA-OAHLLOKOSA-N 2 0 315.461 2.027 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319079 623400797 /nfs/dbraw/zinc/40/07/97/623400797.db2.gz RBKLFILCNGYYEQ-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001022077335 624192873 /nfs/dbraw/zinc/19/28/73/624192873.db2.gz OUJBJPORRLDTGA-OKILXGFUSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001022082049 624193944 /nfs/dbraw/zinc/19/39/44/624193944.db2.gz VBBVKGYTHBPEDT-YESZJQIVSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971827143 624618897 /nfs/dbraw/zinc/61/88/97/624618897.db2.gz CKIHEXKFFDWVGU-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972486231 625120898 /nfs/dbraw/zinc/12/08/98/625120898.db2.gz QWWWEHSBLUWLTG-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000995919507 633139498 /nfs/dbraw/zinc/13/94/98/633139498.db2.gz RMLARZWKCVKETQ-SJORKVTESA-N 2 0 319.493 2.406 20 30 DEEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC000995983683 633153762 /nfs/dbraw/zinc/15/37/62/633153762.db2.gz HCAXPVWDBIMQPC-MRXNPFEDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974771930 633295876 /nfs/dbraw/zinc/29/58/76/633295876.db2.gz ZOIMRDGUHLYKQI-MRXNPFEDSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974831774 633325301 /nfs/dbraw/zinc/32/53/01/633325301.db2.gz XHPDEDWAHWCPJV-INIZCTEOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975107577 633422610 /nfs/dbraw/zinc/42/26/10/633422610.db2.gz HGCNJAZYVGWWOJ-CVEARBPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997085291 633572251 /nfs/dbraw/zinc/57/22/51/633572251.db2.gz MUUXZQODHUKWCY-QAPCUYQASA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997202076 633674038 /nfs/dbraw/zinc/67/40/38/633674038.db2.gz BAFQKQJAGGZBDB-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997584374 633885804 /nfs/dbraw/zinc/88/58/04/633885804.db2.gz MUUXZQODHUKWCY-YJBOKZPZSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505112 633916035 /nfs/dbraw/zinc/91/60/35/633916035.db2.gz KEJYHKFTJONBBM-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001027541624 634060588 /nfs/dbraw/zinc/06/05/88/634060588.db2.gz WGWTVBRDAQWTOH-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001000381228 635166141 /nfs/dbraw/zinc/16/61/41/635166141.db2.gz YDBSSIWTGYKGBM-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992518 635186108 /nfs/dbraw/zinc/18/61/08/635186108.db2.gz BTRADPBMXYCJAF-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001000677629 635273706 /nfs/dbraw/zinc/27/37/06/635273706.db2.gz UAQGCULIZBYVOM-MJGOQNOKSA-N 2 0 315.461 2.230 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000683510 635276210 /nfs/dbraw/zinc/27/62/10/635276210.db2.gz ULDZXKVVEWKSSA-ZWKOTPCHSA-N 2 0 317.477 2.185 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000981091787 635305521 /nfs/dbraw/zinc/30/55/21/635305521.db2.gz QSKOFJBDIJSVPS-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001245102 635439988 /nfs/dbraw/zinc/43/99/88/635439988.db2.gz MCHIRNUNQMXOCB-ZWKOTPCHSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001001521959 635521587 /nfs/dbraw/zinc/52/15/87/635521587.db2.gz LAMLUOQZKGQUJY-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001925338 635578519 /nfs/dbraw/zinc/57/85/19/635578519.db2.gz PFUGGQDLDLUEDO-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982011391 635809281 /nfs/dbraw/zinc/80/92/81/635809281.db2.gz AGKKTNPUTMRPGR-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052382 635846123 /nfs/dbraw/zinc/84/61/23/635846123.db2.gz HUQDMZIEIHYADT-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982054796 635847397 /nfs/dbraw/zinc/84/73/97/635847397.db2.gz JCIGOPAUUMCWAG-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003009796 635883487 /nfs/dbraw/zinc/88/34/87/635883487.db2.gz BLEGVHCRIYVLGC-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001003373511 635944312 /nfs/dbraw/zinc/94/43/12/635944312.db2.gz WWDJHDQEAFPRNP-UHFFFAOYSA-N 2 0 315.461 2.171 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028251702 635960165 /nfs/dbraw/zinc/96/01/65/635960165.db2.gz JWIPVOAXDCOXAT-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968795 636105883 /nfs/dbraw/zinc/10/58/83/636105883.db2.gz UVOBEMNPCUJFDS-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000922384564 636151149 /nfs/dbraw/zinc/15/11/49/636151149.db2.gz DFXUSAMUWSPCJC-WCXIOVBPSA-N 2 0 319.474 2.189 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594844 636470553 /nfs/dbraw/zinc/47/05/53/636470553.db2.gz NGEGEUXHGXQAHI-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004615910 636502429 /nfs/dbraw/zinc/50/24/29/636502429.db2.gz JMVHDOUYXHWFRT-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028646975 636543372 /nfs/dbraw/zinc/54/33/72/636543372.db2.gz CAEJBVAZNUUYQJ-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028646976 636544065 /nfs/dbraw/zinc/54/40/65/636544065.db2.gz CAEJBVAZNUUYQJ-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005493894 636751559 /nfs/dbraw/zinc/75/15/59/636751559.db2.gz SYYPRRHJUHUUOF-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005496099 636751637 /nfs/dbraw/zinc/75/16/37/636751637.db2.gz GGJWVQSASICJSR-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000923388389 637156137 /nfs/dbraw/zinc/15/61/37/637156137.db2.gz JIXNNFXUOGSLEI-OLMNPRSZSA-N 2 0 301.434 2.431 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985685847 639583597 /nfs/dbraw/zinc/58/35/97/639583597.db2.gz JUMNMYBTEJXHJT-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000986443775 639901561 /nfs/dbraw/zinc/90/15/61/639901561.db2.gz BJNLQPAGNGGPFS-RHSMWYFYSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000764458749 640639004 /nfs/dbraw/zinc/63/90/04/640639004.db2.gz AMXHQVRSLDUUPM-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000989456755 641052500 /nfs/dbraw/zinc/05/25/00/641052500.db2.gz DTXLAFCGYUTQNK-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990694022 641607286 /nfs/dbraw/zinc/60/72/86/641607286.db2.gz ZOWYOPIPQNHAFZ-JENIJYKNSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000900723241 642453454 /nfs/dbraw/zinc/45/34/54/642453454.db2.gz OETSWHXMALLYSJ-UHFFFAOYSA-N 2 0 307.413 2.011 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000900979795 642535410 /nfs/dbraw/zinc/53/54/10/642535410.db2.gz YZJKSSGEARTHAI-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C[NH+]1CCC(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000788469928 643613388 /nfs/dbraw/zinc/61/33/88/643613388.db2.gz JNVPMMJTJCLXCD-UHFFFAOYSA-N 2 0 316.424 2.161 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904661208 643716166 /nfs/dbraw/zinc/71/61/66/643716166.db2.gz VWFNEBQAOWQJAU-UHFFFAOYSA-N 2 0 302.422 2.307 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000907403125 644531988 /nfs/dbraw/zinc/53/19/88/644531988.db2.gz DOZCWQLGVKSFAQ-FUHWJXTLSA-N 2 0 315.461 2.131 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991619182 646547849 /nfs/dbraw/zinc/54/78/49/646547849.db2.gz FAJIUISTOYODNO-SJLPKXTDSA-N 2 0 310.401 2.247 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC000992446230 647012391 /nfs/dbraw/zinc/01/23/91/647012391.db2.gz MEMJMEIDCXPUID-AEFFLSMTSA-N 2 0 316.449 2.340 20 30 DEEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000817919751 647382246 /nfs/dbraw/zinc/38/22/46/647382246.db2.gz VTVWNUUMPXKDBM-UNQWWWNPSA-N 2 0 317.433 2.209 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993546378 647693992 /nfs/dbraw/zinc/69/39/92/647693992.db2.gz KDVBWKBANBEOQI-PBHICJAKSA-N 2 0 312.417 2.493 20 30 DEEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179636265 648406296 /nfs/dbraw/zinc/40/62/96/648406296.db2.gz IEVNRYJDJQJNOE-KRWDZBQOSA-N 2 0 300.450 2.420 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000939806965 648728536 /nfs/dbraw/zinc/72/85/36/648728536.db2.gz PYNUNANEASDIEN-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798305 648948215 /nfs/dbraw/zinc/94/82/15/648948215.db2.gz GDGZXDPYKILBEQ-IRXDYDNUSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896063 648964694 /nfs/dbraw/zinc/96/46/94/648964694.db2.gz RVIXMQQIRYJZGN-KRWDZBQOSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203906 649183157 /nfs/dbraw/zinc/18/31/57/649183157.db2.gz LIYNYXLTKJWPOA-DYVFJYSZSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756600 649422959 /nfs/dbraw/zinc/42/29/59/649422959.db2.gz SAFXXXXZKQADCN-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP CC[NH+]=C(NC[C@@H](C)N1CCc2sccc2C1)NC(C)C ZINC000072605542 649462002 /nfs/dbraw/zinc/46/20/02/649462002.db2.gz XDXIJQQZABVQEF-CYBMUJFWSA-N 2 0 308.495 2.458 20 30 DEEDRP C=CC[C@H]1CCCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853536565 652564647 /nfs/dbraw/zinc/56/46/47/652564647.db2.gz DREISUGCDRNDHB-YJBOKZPZSA-N 2 0 319.449 2.149 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccccc1C ZINC000304750468 685258985 /nfs/dbraw/zinc/25/89/85/685258985.db2.gz ILVBQWVKCFBIPT-INIZCTEOSA-N 2 0 318.465 2.153 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH+]=C(NCc1ccccc1)N(C)C ZINC000304826608 685262843 /nfs/dbraw/zinc/26/28/43/685262843.db2.gz HIFFULDJZFUGNV-QGZVFWFLSA-N 2 0 320.481 2.051 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNc1cccc(F)c1 ZINC000305812755 685301733 /nfs/dbraw/zinc/30/17/33/685301733.db2.gz KILPUTABXWZVHW-INIZCTEOSA-N 2 0 321.444 2.016 20 30 DEEDRP CC[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)NC1CC1 ZINC000103904765 684058011 /nfs/dbraw/zinc/05/80/11/684058011.db2.gz IIKSXAXWXVGKPU-UHFFFAOYSA-N 2 0 310.511 2.066 20 30 DEEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C1 ZINC000104178891 684059169 /nfs/dbraw/zinc/05/91/69/684059169.db2.gz LPOAVEQNFJFMAB-KBPBESRZSA-N 2 0 312.527 2.106 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054144971 693862112 /nfs/dbraw/zinc/86/21/12/693862112.db2.gz GBIDCERMYAKERU-PKOBYXMFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054197882 693878985 /nfs/dbraw/zinc/87/89/85/693878985.db2.gz KVMVPRJCVKDBAY-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209692 693883470 /nfs/dbraw/zinc/88/34/70/693883470.db2.gz VTPGCYHTJYXGOK-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP CC[NH+](CC)[C@H](C[NH+]=C(N(C)C)N(C)C)Cc1ccccc1 ZINC000303901263 685239102 /nfs/dbraw/zinc/23/91/02/685239102.db2.gz SPCNHMISKOXROY-KRWDZBQOSA-N 2 0 304.482 2.419 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(F)cc1 ZINC000303984147 685242056 /nfs/dbraw/zinc/24/20/56/685242056.db2.gz RUMFOMAKWCAEDH-MRXNPFEDSA-N 2 0 320.456 2.492 20 30 DEEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866589460 687621318 /nfs/dbraw/zinc/62/13/18/687621318.db2.gz DEAZEBMMIIIJRT-MRXNPFEDSA-N 2 0 312.461 2.331 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016631723 687669298 /nfs/dbraw/zinc/66/92/98/687669298.db2.gz BRMNGCLSMMZYLR-BRWVUGGUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016752922 687696108 /nfs/dbraw/zinc/69/61/08/687696108.db2.gz BTRFUKSAWSELBT-IAGOWNOFSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611461 687924509 /nfs/dbraw/zinc/92/45/09/687924509.db2.gz RUNVTCCOPYDECZ-OKZBNKHCSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001017632933 687928970 /nfs/dbraw/zinc/92/89/70/687928970.db2.gz NPVJTBMISICZEB-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018304036 688105534 /nfs/dbraw/zinc/10/55/34/688105534.db2.gz REVGNNMDXWXDHR-CALCHBBNSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001018851079 688243749 /nfs/dbraw/zinc/24/37/49/688243749.db2.gz KIVNUOSHDOANAT-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032540334 689179757 /nfs/dbraw/zinc/17/97/57/689179757.db2.gz ZXRXNNAHBXMWNU-OKZBNKHCSA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143815 689403284 /nfs/dbraw/zinc/40/32/84/689403284.db2.gz MJXALEGFYZKLRV-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033145892 689404074 /nfs/dbraw/zinc/40/40/74/689404074.db2.gz LNGBDFHFEILXEN-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687169 689584709 /nfs/dbraw/zinc/58/47/09/689584709.db2.gz ZEZJWJIBUGDWSS-MRXNPFEDSA-N 2 0 301.434 2.081 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285365 689795271 /nfs/dbraw/zinc/79/52/71/689795271.db2.gz CMRXWWSEAFSBLN-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397741 689836223 /nfs/dbraw/zinc/83/62/23/689836223.db2.gz LCKGMJUCXVNTPS-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432350 689848463 /nfs/dbraw/zinc/84/84/63/689848463.db2.gz VFCSPLLJUMJWBW-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000876717400 689913974 /nfs/dbraw/zinc/91/39/74/689913974.db2.gz DKTNJGWQCIBXNT-OAHLLOKOSA-N 2 0 313.873 2.181 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876773947 689933182 /nfs/dbraw/zinc/93/31/82/689933182.db2.gz ZGECCRFGUAJQGU-CVEARBPZSA-N 2 0 321.852 2.189 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876773948 689933464 /nfs/dbraw/zinc/93/34/64/689933464.db2.gz ZGECCRFGUAJQGU-HOTGVXAUSA-N 2 0 321.852 2.189 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000876876529 689961685 /nfs/dbraw/zinc/96/16/85/689961685.db2.gz QOMIVWJTMUYQEW-HNNXBMFYSA-N 2 0 315.889 2.427 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035166136 690045782 /nfs/dbraw/zinc/04/57/82/690045782.db2.gz HZNQNGQNXWHVEI-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186384 690053539 /nfs/dbraw/zinc/05/35/39/690053539.db2.gz BRSLTOLXVPCMIX-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035222202 690064050 /nfs/dbraw/zinc/06/40/50/690064050.db2.gz AGJLBVAQROYFPN-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035247001 690072422 /nfs/dbraw/zinc/07/24/22/690072422.db2.gz RXBFVDKUUWGQGJ-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035717338 690159514 /nfs/dbraw/zinc/15/95/14/690159514.db2.gz IOSYUSBXGUNDSI-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000878118282 690315328 /nfs/dbraw/zinc/31/53/28/690315328.db2.gz KGTMSIGPQJPZJG-OAHLLOKOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794615 690476570 /nfs/dbraw/zinc/47/65/70/690476570.db2.gz YDONOKGFCMMHTI-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880262507 690854460 /nfs/dbraw/zinc/85/44/60/690854460.db2.gz NEZGSCJMTSOFSW-BEFAXECRSA-N 2 0 322.412 2.197 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039163561 691036863 /nfs/dbraw/zinc/03/68/63/691036863.db2.gz CPMQTBTVJZDCAG-WMZOPIPTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039397906 691097416 /nfs/dbraw/zinc/09/74/16/691097416.db2.gz GJYUWKUIOYCDET-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250943 691221047 /nfs/dbraw/zinc/22/10/47/691221047.db2.gz UVFACTQTXHDQPI-PKOBYXMFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040296302 691226731 /nfs/dbraw/zinc/22/67/31/691226731.db2.gz NHZWNDNKLGJLBN-LJQANCHMSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395471 691242265 /nfs/dbraw/zinc/24/22/65/691242265.db2.gz PYINEJARSARNSX-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040400398 691243098 /nfs/dbraw/zinc/24/30/98/691243098.db2.gz UYDJJMLCOKSPOR-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040400397 691243373 /nfs/dbraw/zinc/24/33/73/691243373.db2.gz UYDJJMLCOKSPOR-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040493265 691255593 /nfs/dbraw/zinc/25/55/93/691255593.db2.gz JFISKPRXGXGSCG-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001040746261 691284414 /nfs/dbraw/zinc/28/44/14/691284414.db2.gz XXNRRWOSXCOHAA-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041345521 691364371 /nfs/dbraw/zinc/36/43/71/691364371.db2.gz AYKNKIXIMMSMFS-PKOBYXMFSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041679844 691409247 /nfs/dbraw/zinc/40/92/47/691409247.db2.gz OZZKDZZTXKGLFU-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041725523 691418211 /nfs/dbraw/zinc/41/82/11/691418211.db2.gz OGPXXMPKCYKUKY-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132271 691516663 /nfs/dbraw/zinc/51/66/63/691516663.db2.gz APOPJTAOKHFUBS-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256776 691550442 /nfs/dbraw/zinc/55/04/42/691550442.db2.gz ZMMNDJOWDOVDDP-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001044183125 691784810 /nfs/dbraw/zinc/78/48/10/691784810.db2.gz NJWWBJHZORKAHA-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001045478987 691987296 /nfs/dbraw/zinc/98/72/96/691987296.db2.gz LVDWCEFPEUPKOK-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921421 692051429 /nfs/dbraw/zinc/05/14/29/692051429.db2.gz LEKRBPCOIFEONM-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761503 692290901 /nfs/dbraw/zinc/29/09/01/692290901.db2.gz WAESYIKGCUNWLE-LJQANCHMSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049098285 692764332 /nfs/dbraw/zinc/76/43/32/692764332.db2.gz FPWOMMQCPZBQSN-HDICACEKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001049560333 692921707 /nfs/dbraw/zinc/92/17/07/692921707.db2.gz XONMCMAGCZMLNT-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572763 692925939 /nfs/dbraw/zinc/92/59/39/692925939.db2.gz OFDZTRLFHHZDDU-ROUUACIJSA-N 2 0 322.412 2.037 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589644 692932402 /nfs/dbraw/zinc/93/24/02/692932402.db2.gz AFJSNMBKQHKYOT-ROUUACIJSA-N 2 0 322.412 2.037 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589638 692932904 /nfs/dbraw/zinc/93/29/04/692932904.db2.gz AFJSNMBKQHKYOT-MSOLQXFVSA-N 2 0 322.412 2.037 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049727263 692977558 /nfs/dbraw/zinc/97/75/58/692977558.db2.gz ISXYBHLZRXFOFG-ULQDDVLXSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001050208580 693139182 /nfs/dbraw/zinc/13/91/82/693139182.db2.gz OJUJMAPJKOUFPQ-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000924806286 693187590 /nfs/dbraw/zinc/18/75/90/693187590.db2.gz BOILAYFKXGSPAO-HNNXBMFYSA-N 2 0 315.465 2.251 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050688819 693233064 /nfs/dbraw/zinc/23/30/64/693233064.db2.gz CTIPGFVTGGVYSZ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001050694826 693233667 /nfs/dbraw/zinc/23/36/67/693233667.db2.gz LKBMCQNWICPINA-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001050766615 693247129 /nfs/dbraw/zinc/24/71/29/693247129.db2.gz TZRGTEZBARUXSV-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052485728 693546306 /nfs/dbraw/zinc/54/63/06/693546306.db2.gz CFXVCFAZJKIULY-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052497500 693549649 /nfs/dbraw/zinc/54/96/49/693549649.db2.gz CIWLRGCEAJDFOZ-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001332960555 1149936873 /nfs/dbraw/zinc/93/68/73/1149936873.db2.gz VRVQMFVROGGKIS-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001332990838 1149946752 /nfs/dbraw/zinc/94/67/52/1149946752.db2.gz CFGMWRJJVNXOEM-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001380082776 1152747345 /nfs/dbraw/zinc/74/73/45/1152747345.db2.gz AVJVBWHAIZOHBL-CYBMUJFWSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCC1 ZINC001375796317 1158874272 /nfs/dbraw/zinc/87/42/72/1158874272.db2.gz MKPOJUXUQGMYAK-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001397226803 1160065953 /nfs/dbraw/zinc/06/59/53/1160065953.db2.gz NJXSZMLJWWEIHP-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001401833442 1162148543 /nfs/dbraw/zinc/14/85/43/1162148543.db2.gz WJTNAZFUSZFWMH-LSDHHAIUSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001402064265 1162234041 /nfs/dbraw/zinc/23/40/41/1162234041.db2.gz ZGPGNYPXLQZBJY-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402170964 1162273259 /nfs/dbraw/zinc/27/32/59/1162273259.db2.gz IWMBHQGJOXQYJI-GOEBONIOSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)CN1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001419164826 1168277785 /nfs/dbraw/zinc/27/77/85/1168277785.db2.gz YCIAWCAULJESTF-KBPBESRZSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001419478964 1168519954 /nfs/dbraw/zinc/51/99/54/1168519954.db2.gz DEDZCRSRWMEOPS-NSHDSACASA-N 2 0 320.824 2.351 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001420000922 1169050761 /nfs/dbraw/zinc/05/07/61/1169050761.db2.gz YVCYMRVXGNKYIA-HUUCEWRRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001420456585 1169582959 /nfs/dbraw/zinc/58/29/59/1169582959.db2.gz SUVXJLMNAVEZLO-AWEZNQCLSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001420690953 1169868753 /nfs/dbraw/zinc/86/87/53/1169868753.db2.gz NJPCJDFELGJHNY-HUUCEWRRSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001437147485 1179485465 /nfs/dbraw/zinc/48/54/65/1179485465.db2.gz CFIGKNOXJUSLLV-LLVKDONJSA-N 2 0 315.870 2.270 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438771280 1180809059 /nfs/dbraw/zinc/80/90/59/1180809059.db2.gz PJJDFDWRATYUMZ-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001440406526 1181491303 /nfs/dbraw/zinc/49/13/03/1181491303.db2.gz UMFKYMHQXPHPKN-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001441212623 1181896901 /nfs/dbraw/zinc/89/69/01/1181896901.db2.gz UEHBSBBSULVLAD-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001330614288 1149211516 /nfs/dbraw/zinc/21/15/16/1149211516.db2.gz SJQHUCAIWNMYMN-TVFCKZIOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001332882814 1149914678 /nfs/dbraw/zinc/91/46/78/1149914678.db2.gz XSIOUXLSVPWINT-HNNXBMFYSA-N 2 0 307.482 2.169 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC001332992004 1149948861 /nfs/dbraw/zinc/94/88/61/1149948861.db2.gz RSKGTSINQQKXRZ-GOSISDBHSA-N 2 0 313.445 2.413 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493218 783159693 /nfs/dbraw/zinc/15/96/93/783159693.db2.gz UVRFGJOUWAPGNC-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536259 783189450 /nfs/dbraw/zinc/18/94/50/783189450.db2.gz ANHFELMVAHAGSL-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947617377 783190800 /nfs/dbraw/zinc/19/08/00/783190800.db2.gz XXMFUGICZJWSHM-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2C[NH2+]CC3)cc1 ZINC001170984243 790379135 /nfs/dbraw/zinc/37/91/35/790379135.db2.gz RJYDZXVQYVGENV-UHFFFAOYSA-N 2 0 309.369 2.156 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001112466398 776527662 /nfs/dbraw/zinc/52/76/62/776527662.db2.gz WGBYJHFTAUNKPS-LPHOPBHVSA-N 2 0 324.428 2.352 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599503 777374567 /nfs/dbraw/zinc/37/45/67/777374567.db2.gz JYRQXDQPSWIZCE-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC001104738218 778056225 /nfs/dbraw/zinc/05/62/25/778056225.db2.gz LPXVUUJMAYLGEO-BRWVUGGUSA-N 2 0 318.465 2.485 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671751 779406266 /nfs/dbraw/zinc/40/62/66/779406266.db2.gz OCYGMAAFQLGDCD-KSZLIROESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773791 779445094 /nfs/dbraw/zinc/44/50/94/779445094.db2.gz HYALQKSMFYIMCC-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081704 779685501 /nfs/dbraw/zinc/68/55/01/779685501.db2.gz AJDIVHSOMNAZQQ-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413318 780087944 /nfs/dbraw/zinc/08/79/44/780087944.db2.gz CSCWEOPTIUSKAI-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168148062 780260106 /nfs/dbraw/zinc/26/01/06/780260106.db2.gz YWDDWQFGKWNNHG-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569061 780495793 /nfs/dbraw/zinc/49/57/93/780495793.db2.gz FWLOOVRNDJYPNG-NUJGCVRESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@@H+](C3CCC([NH+](C)C)CC3)C2)C1=O ZINC001168319104 780835460 /nfs/dbraw/zinc/83/54/60/780835460.db2.gz OPXBFZWDDVLOSW-TVPLGVNVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378890 781845183 /nfs/dbraw/zinc/84/51/83/781845183.db2.gz POOVXYCSDAFBMK-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)C[C@@H]1C ZINC000947941213 783274683 /nfs/dbraw/zinc/27/46/83/783274683.db2.gz ZGHHGPXAQJIKGQ-GJZGRUSLSA-N 2 0 316.449 2.306 20 30 DEEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089724509 783388389 /nfs/dbraw/zinc/38/83/89/783388389.db2.gz XVAMHUXFGWGEBN-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000948425021 783461260 /nfs/dbraw/zinc/46/12/60/783461260.db2.gz NBUCPLUMSVVUBV-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593387 783860008 /nfs/dbraw/zinc/86/00/08/783860008.db2.gz IKWNVQZULFXLIG-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917395 784209616 /nfs/dbraw/zinc/20/96/16/784209616.db2.gz YQTSSNXANXIFBU-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379546 784339964 /nfs/dbraw/zinc/33/99/64/784339964.db2.gz YSXUBEAQMMERIO-LSDHHAIUSA-N 2 0 304.438 2.019 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC000968732530 784561713 /nfs/dbraw/zinc/56/17/13/784561713.db2.gz OCTVQAHWGOXZTP-LSDHHAIUSA-N 2 0 304.438 2.163 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000968824855 784608831 /nfs/dbraw/zinc/60/88/31/784608831.db2.gz NUCDBXAVDRHAED-CQSZACIVSA-N 2 0 307.463 2.190 20 30 DEEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968855817 784620621 /nfs/dbraw/zinc/62/06/21/784620621.db2.gz AQIYTSONVZAWCD-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968855783 784621055 /nfs/dbraw/zinc/62/10/55/784621055.db2.gz AHHZILIVDMBILG-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968855813 784621499 /nfs/dbraw/zinc/62/14/99/784621499.db2.gz AQIYTSONVZAWCD-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002452 784686182 /nfs/dbraw/zinc/68/61/82/784686182.db2.gz TZTPJPJIEFWPPH-BZSNNMDCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007725237 784983288 /nfs/dbraw/zinc/98/32/88/784983288.db2.gz YWSQGOMNIRHLDG-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169119339 785042065 /nfs/dbraw/zinc/04/20/65/785042065.db2.gz ROZMMTWEFCRQFW-BJWYYQGGSA-N 2 0 321.465 2.236 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009145323 785394067 /nfs/dbraw/zinc/39/40/67/785394067.db2.gz NXCSCTOVNKMOMI-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108703415 785494336 /nfs/dbraw/zinc/49/43/36/785494336.db2.gz PWNHCENIODUFHK-ULQDDVLXSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108791925 785539531 /nfs/dbraw/zinc/53/95/31/785539531.db2.gz DKWCHBBDDHEAJL-ZNMIVQPWSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2nccn21 ZINC001171248399 791123625 /nfs/dbraw/zinc/12/36/25/791123625.db2.gz UJBASUXJWDSKLU-HUUCEWRRSA-N 2 0 304.438 2.211 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2nccn21 ZINC001171248663 791124147 /nfs/dbraw/zinc/12/41/47/791124147.db2.gz XFVZFLNURUQPIJ-CVEARBPZSA-N 2 0 316.449 2.048 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406064 785857983 /nfs/dbraw/zinc/85/79/83/785857983.db2.gz MRQIQCPKHSTIIH-QZWWFDLISA-N 2 0 305.466 2.014 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485319 785897393 /nfs/dbraw/zinc/89/73/93/785897393.db2.gz VDVVYFONNBDLDY-IKGGRYGDSA-N 2 0 317.477 2.303 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109728822 785999063 /nfs/dbraw/zinc/99/90/63/785999063.db2.gz DYBCGHMXFNQGSQ-PMPSAXMXSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001113682932 786758551 /nfs/dbraw/zinc/75/85/51/786758551.db2.gz YRHDZWFWSBMBGS-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015597939 787130114 /nfs/dbraw/zinc/13/01/14/787130114.db2.gz CPGSHGUILFNFLD-NVXWUHKLSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189588 787309198 /nfs/dbraw/zinc/30/91/98/787309198.db2.gz QGKBUDJCKDJZFR-IRXDYDNUSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132366168 788042107 /nfs/dbraw/zinc/04/21/07/788042107.db2.gz XHYBLUDEIRSWDH-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548381 788127608 /nfs/dbraw/zinc/12/76/08/788127608.db2.gz CMPNQCCCMXWHOX-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888314 788219056 /nfs/dbraw/zinc/21/90/56/788219056.db2.gz MBXVWFVWZVYBMY-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132974434 788245246 /nfs/dbraw/zinc/24/52/46/788245246.db2.gz ZJBPJCMDXJVHMQ-DOTOQJQBSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345580 788376445 /nfs/dbraw/zinc/37/64/45/788376445.db2.gz DVXOUZGFKLHHFR-UKRRQHHQSA-N 2 0 315.889 2.153 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370101 788900039 /nfs/dbraw/zinc/90/00/39/788900039.db2.gz XLCUVHBWPDTPNB-JKSUJKDBSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181601 789234545 /nfs/dbraw/zinc/23/45/45/789234545.db2.gz RSBILKUGUQAPAA-KBPBESRZSA-N 2 0 315.889 2.486 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676016 789443056 /nfs/dbraw/zinc/44/30/56/789443056.db2.gz OREGETWSOXDIFK-CABCVRRESA-N 2 0 303.450 2.421 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071794779 789922407 /nfs/dbraw/zinc/92/24/07/789922407.db2.gz FNIWJIAQYGFBFR-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957593 789987076 /nfs/dbraw/zinc/98/70/76/789987076.db2.gz KVFUHWHPLNNBJO-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793714 790248997 /nfs/dbraw/zinc/24/89/97/790248997.db2.gz PHCIXMKWDIWEIA-UHFFFAOYSA-N 2 0 319.474 2.144 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001074940135 791401038 /nfs/dbraw/zinc/40/10/38/791401038.db2.gz UGAQXXMVPTWTIX-ULQDDVLXSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986599 791667165 /nfs/dbraw/zinc/66/71/65/791667165.db2.gz SASLLYKKSWMZHE-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992814 791668413 /nfs/dbraw/zinc/66/84/13/791668413.db2.gz NVBPLWNGWTUFJS-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160880 791700460 /nfs/dbraw/zinc/70/04/60/791700460.db2.gz NISNTSBRTJQMIQ-INIZCTEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469064 791751401 /nfs/dbraw/zinc/75/14/01/791751401.db2.gz BDCHCLKTHVDFEA-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086928900 791859558 /nfs/dbraw/zinc/85/95/58/791859558.db2.gz RKWIXVFCUGLVDS-IAGOWNOFSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957757 791863901 /nfs/dbraw/zinc/86/39/01/791863901.db2.gz VMERBYMUHLORHW-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098991460 792022322 /nfs/dbraw/zinc/02/23/22/792022322.db2.gz ZEOGCTPGBRTTHZ-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150661 792645073 /nfs/dbraw/zinc/64/50/73/792645073.db2.gz IULZNTWGGYUTAX-IKGGRYGDSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001100467507 792668985 /nfs/dbraw/zinc/66/89/85/792668985.db2.gz ADDIJKVUCJBHAE-UHFFFAOYSA-N 2 0 312.417 2.317 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001094568030 792985991 /nfs/dbraw/zinc/98/59/91/792985991.db2.gz OMWUABIJRFQTKJ-QRQLOZEOSA-N 2 0 317.477 2.019 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001101280175 793097558 /nfs/dbraw/zinc/09/75/58/793097558.db2.gz IQHZXBQGVNCOIW-AOIWGVFYSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171628786 793139098 /nfs/dbraw/zinc/13/90/98/793139098.db2.gz AZRBSJUNJKRNIL-CQSZACIVSA-N 2 0 312.417 2.154 20 30 DEEDRP C[C@H](Cc1ccc(C#N)cc1)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001172298727 793406897 /nfs/dbraw/zinc/40/68/97/793406897.db2.gz CWYZHLKJMNAKJL-SNVBAGLBSA-N 2 0 321.475 2.374 20 30 DEEDRP C=CCOC1CCC([NH+]2CCN(CCC[NH+](C)C)CC2)CC1 ZINC001173327219 793680024 /nfs/dbraw/zinc/68/00/24/793680024.db2.gz JMIZJVZUACVXSQ-UHFFFAOYSA-N 2 0 309.498 2.070 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103113598 793945557 /nfs/dbraw/zinc/94/55/57/793945557.db2.gz QIUOOGDVTOYXSD-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433421 794090386 /nfs/dbraw/zinc/09/03/86/794090386.db2.gz FIMXSIOUVAVLHP-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581479 794248111 /nfs/dbraw/zinc/24/81/11/794248111.db2.gz NAYHJQGVUMDIGJ-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778955 794478410 /nfs/dbraw/zinc/47/84/10/794478410.db2.gz QEMCANDGEKAURX-LPHOPBHVSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001177345229 794644297 /nfs/dbraw/zinc/64/42/97/794644297.db2.gz VOJUUEIUSSZBOU-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001177415632 794665683 /nfs/dbraw/zinc/66/56/83/794665683.db2.gz GKWQRCZUNCHUIO-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1ncc[nH]1 ZINC001177448638 794666895 /nfs/dbraw/zinc/66/68/95/794666895.db2.gz PKOHDOBNXZHZEI-UHFFFAOYSA-N 2 0 304.438 2.137 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001115591942 794832016 /nfs/dbraw/zinc/83/20/16/794832016.db2.gz LVCCGRVXGIPUNH-DLBZAZTESA-N 2 0 317.477 2.045 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115615025 794842140 /nfs/dbraw/zinc/84/21/40/794842140.db2.gz YLKPCONLCMKPAL-UHFFFAOYSA-N 2 0 305.466 2.210 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730992 794899652 /nfs/dbraw/zinc/89/96/52/794899652.db2.gz XADNGCVSQBQEHY-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178612221 794959349 /nfs/dbraw/zinc/95/93/49/794959349.db2.gz MYHDOBUFIRUKPX-HNNXBMFYSA-N 2 0 301.450 2.119 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026063 795048090 /nfs/dbraw/zinc/04/80/90/795048090.db2.gz IZLXNQXBGMMHJX-UHFFFAOYSA-N 2 0 312.417 2.237 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234127 795081324 /nfs/dbraw/zinc/08/13/24/795081324.db2.gz JQWGTOZASNRWLQ-WMZOPIPTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179337495 795102567 /nfs/dbraw/zinc/10/25/67/795102567.db2.gz OYLDDKQFUQHGTH-QAETUUGQSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179400446 795105364 /nfs/dbraw/zinc/10/53/64/795105364.db2.gz PGTOCYZMMQGSAO-UHFFFAOYSA-N 2 0 303.878 2.347 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120470194 795467203 /nfs/dbraw/zinc/46/72/03/795467203.db2.gz PAYWHMNJAZKNNG-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181941844 795567177 /nfs/dbraw/zinc/56/71/77/795567177.db2.gz SCCJDSZXDAERQD-CRAIPNDOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121134027 795593339 /nfs/dbraw/zinc/59/33/39/795593339.db2.gz OZEGPANELNYYQZ-NYXDSXFPSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121247045 795607826 /nfs/dbraw/zinc/60/78/26/795607826.db2.gz WFJXTGFJVCDYNX-UHFFFAOYSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121663840 795670058 /nfs/dbraw/zinc/67/00/58/795670058.db2.gz RGWKNFVPQSTCNK-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC001121988081 795712860 /nfs/dbraw/zinc/71/28/60/795712860.db2.gz HQBMPYGTHVGZTK-QGZVFWFLSA-N 2 0 303.450 2.438 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001122063146 795722466 /nfs/dbraw/zinc/72/24/66/795722466.db2.gz DQSMSKBDNIUGBL-UHFFFAOYSA-N 2 0 317.477 2.065 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122237982 795738198 /nfs/dbraw/zinc/73/81/98/795738198.db2.gz YUKGFWYVIUBCAJ-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185348545 796236054 /nfs/dbraw/zinc/23/60/54/796236054.db2.gz QLQDOSZFONALPN-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185518052 796276613 /nfs/dbraw/zinc/27/66/13/796276613.db2.gz VXPLHEYJAGKYAX-GJZGRUSLSA-N 2 0 316.449 2.021 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650055 796297930 /nfs/dbraw/zinc/29/79/30/796297930.db2.gz BDFWQHGUCIYQLE-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203029604 796516039 /nfs/dbraw/zinc/51/60/39/796516039.db2.gz UKWDSEGSPTVBLB-CABCVRRESA-N 2 0 305.466 2.064 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)cc1C#N ZINC001141166483 796644004 /nfs/dbraw/zinc/64/40/04/796644004.db2.gz QHAADXNWGHUDRD-UHFFFAOYSA-N 2 0 320.456 2.403 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507267 797222458 /nfs/dbraw/zinc/22/24/58/797222458.db2.gz JTWSIELCYMLMKP-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683442 797249592 /nfs/dbraw/zinc/24/95/92/797249592.db2.gz GBQJQAQKLIWBBM-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677805 797374643 /nfs/dbraw/zinc/37/46/43/797374643.db2.gz PTXGXFITVKPNGG-CQSZACIVSA-N 2 0 321.490 2.273 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192655853 797424868 /nfs/dbraw/zinc/42/48/68/797424868.db2.gz PHEXWCLAKOXIEJ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194040428 797668773 /nfs/dbraw/zinc/66/87/73/797668773.db2.gz QYHYYARXHIGYBJ-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001195284270 797871009 /nfs/dbraw/zinc/87/10/09/797871009.db2.gz STRQCIJZULYCAA-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893492 797976527 /nfs/dbraw/zinc/97/65/27/797976527.db2.gz GWMMXVZKAQPGBF-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157109263 798144837 /nfs/dbraw/zinc/14/48/37/798144837.db2.gz KXPLTFMZSZCWAT-QZTJIDSGSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001203901960 798317138 /nfs/dbraw/zinc/31/71/38/798317138.db2.gz AJFOZZZIUOBNCR-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001158061902 798335521 /nfs/dbraw/zinc/33/55/21/798335521.db2.gz UWCMYCRIZTVPPP-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158099479 798342623 /nfs/dbraw/zinc/34/26/23/798342623.db2.gz PJZAYDAQNCZGEQ-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359896 798679526 /nfs/dbraw/zinc/67/95/26/798679526.db2.gz FKQRFXWMIUZYQY-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400565 798683590 /nfs/dbraw/zinc/68/35/90/798683590.db2.gz UXPAUWGXXYNURM-SFHVURJKSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160466469 798692677 /nfs/dbraw/zinc/69/26/77/798692677.db2.gz DNHVOVIAYWGAPB-ZWKOTPCHSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001201117828 798713289 /nfs/dbraw/zinc/71/32/89/798713289.db2.gz FBPBJFYDIBMFKW-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP N#Cc1c(NCc2ccccc2C[NH3+])ncc2c1CCC[NH2+]C2 ZINC001160905714 798760267 /nfs/dbraw/zinc/76/02/67/798760267.db2.gz DNXIQWVBMNZQBX-UHFFFAOYSA-N 2 0 307.401 2.060 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793584 798798746 /nfs/dbraw/zinc/79/87/46/798798746.db2.gz FEKYNBKZNBONCB-QGZVFWFLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161705516 798916494 /nfs/dbraw/zinc/91/64/94/798916494.db2.gz USHRSXHMLLMIQV-SFHVURJKSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110682803 798964751 /nfs/dbraw/zinc/96/47/51/798964751.db2.gz CYFNPQSRXFRNRI-HZMVEIRTSA-N 2 0 305.466 2.158 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409226 799093538 /nfs/dbraw/zinc/09/35/38/799093538.db2.gz IIPHFNDKJWTBSI-MLHJIOFPSA-N 2 0 321.509 2.343 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114443261 799113824 /nfs/dbraw/zinc/11/38/24/799113824.db2.gz YRUGHSFPNIGAGB-MLHJIOFPSA-N 2 0 321.509 2.365 20 30 DEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc2c(c1C#N)CCCC2 ZINC001163129204 799254394 /nfs/dbraw/zinc/25/43/94/799254394.db2.gz IQMKYRLFFHYWTB-UHFFFAOYSA-N 2 0 314.437 2.110 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403305 799867068 /nfs/dbraw/zinc/86/70/68/799867068.db2.gz IETGPUJEURKIFC-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203421176 800044462 /nfs/dbraw/zinc/04/44/62/800044462.db2.gz ZNDHSIRLOLNYIJ-HZPDHXFCSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242740 800328603 /nfs/dbraw/zinc/32/86/03/800328603.db2.gz TWSLRLIIMQVFOF-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205461519 800360009 /nfs/dbraw/zinc/36/00/09/800360009.db2.gz LZCGGIRWQNUDAJ-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205524536 800368405 /nfs/dbraw/zinc/36/84/05/800368405.db2.gz PIBGYSRUJXFBFY-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CSc1nc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206003822 800456851 /nfs/dbraw/zinc/45/68/51/800456851.db2.gz MWWXTVGBENIMJF-CHWSQXEVSA-N 2 0 304.463 2.482 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206307537 800505990 /nfs/dbraw/zinc/50/59/90/800505990.db2.gz KWPJPGLDOBCOEB-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001206948064 800638680 /nfs/dbraw/zinc/63/86/80/800638680.db2.gz TULDNKKHJKOLCV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001207000648 800651915 /nfs/dbraw/zinc/65/19/15/800651915.db2.gz JDRPFQKOWNIZPI-YYIAUSFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001207337771 800733053 /nfs/dbraw/zinc/73/30/53/800733053.db2.gz WXJMEYAAQBOCKD-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435034 800751145 /nfs/dbraw/zinc/75/11/45/800751145.db2.gz DRWNPNFITZXXAR-QZTJIDSGSA-N 2 0 308.466 2.060 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209276802 801164118 /nfs/dbraw/zinc/16/41/18/801164118.db2.gz CKNDDONAFSNHIN-HNNXBMFYSA-N 2 0 305.422 2.112 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001229194637 801239768 /nfs/dbraw/zinc/23/97/68/801239768.db2.gz PPVJSUQGTQPWON-KZNAEPCWSA-N 2 0 321.509 2.393 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591605 801429753 /nfs/dbraw/zinc/42/97/53/801429753.db2.gz DHXXOHGBNVMQPI-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#Cc1cccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001231662018 801706858 /nfs/dbraw/zinc/70/68/58/801706858.db2.gz CNDWQCJMIDQHHJ-UHFFFAOYSA-N 2 0 301.478 2.373 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215558094 801877135 /nfs/dbraw/zinc/87/71/35/801877135.db2.gz KGKBJAFSEVTULN-TZMCWYRMSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216755777 802023144 /nfs/dbraw/zinc/02/31/44/802023144.db2.gz CQZQMELFWMYYPV-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001221672106 802601936 /nfs/dbraw/zinc/60/19/36/802601936.db2.gz PWTDMQNAFONEKZ-SJLPKXTDSA-N 2 0 324.428 2.447 20 30 DEEDRP CCCCCCC/C=C/C[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521465 802700245 /nfs/dbraw/zinc/70/02/45/802700245.db2.gz SERXUYBXSLXYSP-CSHXORCISA-N 2 0 319.493 2.315 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223972175 802827135 /nfs/dbraw/zinc/82/71/35/802827135.db2.gz UCZDCMUBGQGFIZ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224535194 802879371 /nfs/dbraw/zinc/87/93/71/802879371.db2.gz DQYNOFZJUVDBKQ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226333203 803092738 /nfs/dbraw/zinc/09/27/38/803092738.db2.gz GCXHAXGMDBJEAM-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001226767758 803155292 /nfs/dbraw/zinc/15/52/92/803155292.db2.gz WEUCEDCXDVMQDQ-RCCFBDPRSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001227669052 803264312 /nfs/dbraw/zinc/26/43/12/803264312.db2.gz KHNYGSMKGMTRDB-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001228138226 803324682 /nfs/dbraw/zinc/32/46/82/803324682.db2.gz QZACMWMCDNNSMD-KZNAEPCWSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001330700863 1149262940 /nfs/dbraw/zinc/26/29/40/1149262940.db2.gz XRJDNNLUPOUZLD-QAQDUYKDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+][C@H](CCNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001331199730 1149395906 /nfs/dbraw/zinc/39/59/06/1149395906.db2.gz KWKUYNRZJOYPJW-OAHLLOKOSA-N 2 0 321.490 2.177 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331529538 1149508845 /nfs/dbraw/zinc/50/88/45/1149508845.db2.gz KVEQPIJSIKJOAR-FUHWJXTLSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001500241865 1058629312 /nfs/dbraw/zinc/62/93/12/1058629312.db2.gz BZNFNKSRKNOUKG-IBGZPJMESA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001500547101 1058915531 /nfs/dbraw/zinc/91/55/31/1058915531.db2.gz ODKHAIVPFBGWPM-AEFFLSMTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001467727671 1059690297 /nfs/dbraw/zinc/69/02/97/1059690297.db2.gz OSDLOWNGXPUHQV-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001502387106 1060100912 /nfs/dbraw/zinc/10/09/12/1060100912.db2.gz LMJAPIMNWYZQMK-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001506991272 1062643027 /nfs/dbraw/zinc/64/30/27/1062643027.db2.gz HOCFODQFSCZSPY-QGZVFWFLSA-N 2 0 309.498 2.415 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480621900 1063114196 /nfs/dbraw/zinc/11/41/96/1063114196.db2.gz CLQBFJPOIOZIOC-SJORKVTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507358849 1063150906 /nfs/dbraw/zinc/15/09/06/1063150906.db2.gz XXIOASWPMPEQGH-FUHWJXTLSA-N 2 0 305.466 2.162 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001507961245 1063478374 /nfs/dbraw/zinc/47/83/74/1063478374.db2.gz IJHASMIEKYTSGO-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001493209814 1063641887 /nfs/dbraw/zinc/64/18/87/1063641887.db2.gz COHXSEQKZVBTCM-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)Cn2cncc2C)C1 ZINC001493965525 1064045817 /nfs/dbraw/zinc/04/58/17/1064045817.db2.gz VEATYLFWFBTVKJ-OAHLLOKOSA-N 2 0 324.856 2.257 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001494152259 1064143743 /nfs/dbraw/zinc/14/37/43/1064143743.db2.gz BHQOVLQMOUMUQG-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[N@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001567425821 1064194904 /nfs/dbraw/zinc/19/49/04/1064194904.db2.gz FAZSWIFLKXNIRB-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567701244 1064359705 /nfs/dbraw/zinc/35/97/05/1064359705.db2.gz FOIGUHIBRHGCIJ-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567731990 1064383967 /nfs/dbraw/zinc/38/39/67/1064383967.db2.gz TXATWFMFCASCAR-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001567731249 1064384136 /nfs/dbraw/zinc/38/41/36/1064384136.db2.gz KNQMKULRSHEMKV-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001568012168 1064594120 /nfs/dbraw/zinc/59/41/20/1064594120.db2.gz ZQCBUZKAJYXCMD-UHFFFAOYSA-N 2 0 313.445 2.014 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001568176007 1064684799 /nfs/dbraw/zinc/68/47/99/1064684799.db2.gz PIYXUSQJMLVWOJ-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001568244751 1064725852 /nfs/dbraw/zinc/72/58/52/1064725852.db2.gz OMFWVUKKDXTCBT-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@@H]1C ZINC001495317788 1064827182 /nfs/dbraw/zinc/82/71/82/1064827182.db2.gz BRYSWIZRTBFRKB-QFBILLFUSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001495397504 1064882340 /nfs/dbraw/zinc/88/23/40/1064882340.db2.gz RETVFCUWAVTSCN-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001621402085 1078173964 /nfs/dbraw/zinc/17/39/64/1078173964.db2.gz GUPTTXKTZWDYFZ-NALMEZQBSA-N 2 0 308.466 2.201 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001496313144 1065402419 /nfs/dbraw/zinc/40/24/19/1065402419.db2.gz VYQCCRPSZXZEPU-ROUUACIJSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001569321525 1065427715 /nfs/dbraw/zinc/42/77/15/1065427715.db2.gz QMCFXTKFPDPZTM-SJORKVTESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001569507863 1065553306 /nfs/dbraw/zinc/55/33/06/1065553306.db2.gz HENZKESFWUSWRL-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)C ZINC001496563961 1065564824 /nfs/dbraw/zinc/56/48/24/1065564824.db2.gz AFUQVSIEKRTOTQ-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC001569613782 1065624063 /nfs/dbraw/zinc/62/40/63/1065624063.db2.gz XWDBXKMRTSGEPE-KRWDZBQOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001569700814 1065678526 /nfs/dbraw/zinc/67/85/26/1065678526.db2.gz PBERXLBTUCJTNH-INIZCTEOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001569707180 1065681285 /nfs/dbraw/zinc/68/12/85/1065681285.db2.gz OBVBUCYJZADFTB-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569716420 1065686986 /nfs/dbraw/zinc/68/69/86/1065686986.db2.gz XGLOFJLZUXEQBC-PKOBYXMFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569716417 1065687062 /nfs/dbraw/zinc/68/70/62/1065687062.db2.gz XGLOFJLZUXEQBC-HKUYNNGSSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001496782248 1065709440 /nfs/dbraw/zinc/70/94/40/1065709440.db2.gz XUKBUAROKUYDCW-MRXNPFEDSA-N 2 0 318.465 2.110 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001496871512 1065768880 /nfs/dbraw/zinc/76/88/80/1065768880.db2.gz ZJBIENXRJHEATP-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001626536310 1078257093 /nfs/dbraw/zinc/25/70/93/1078257093.db2.gz FMMYKMRVOZUBAW-LJQANCHMSA-N 2 0 315.461 2.133 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001570043353 1065900355 /nfs/dbraw/zinc/90/03/55/1065900355.db2.gz OWQZQTAVJHIWAZ-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570198594 1065969208 /nfs/dbraw/zinc/96/92/08/1065969208.db2.gz DUVCMLGONUOVAN-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570274518 1066000671 /nfs/dbraw/zinc/00/06/71/1066000671.db2.gz FHWZWHYNMJGWGV-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001498197329 1066550412 /nfs/dbraw/zinc/55/04/12/1066550412.db2.gz KGBHNFKVGAROSB-ZDUSSCGKSA-N 2 0 309.841 2.209 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001483368750 1078488007 /nfs/dbraw/zinc/48/80/07/1078488007.db2.gz QQHOFBVOQDGXRJ-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001499482346 1067233988 /nfs/dbraw/zinc/23/39/88/1067233988.db2.gz VAFUTQTUTCUDFZ-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001499518814 1067243084 /nfs/dbraw/zinc/24/30/84/1067243084.db2.gz HHDGXQXRCZSIMJ-GOSISDBHSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267015384 1078502722 /nfs/dbraw/zinc/50/27/22/1078502722.db2.gz XKOZTZRJMFSXNR-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP N#Cc1ccc(CN2C[C@H]3CCCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066600 1067487931 /nfs/dbraw/zinc/48/79/31/1067487931.db2.gz OJNNJDAWXYNOGZ-WBVHZDCISA-N 2 0 314.389 2.417 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001483445523 1078537774 /nfs/dbraw/zinc/53/77/74/1078537774.db2.gz ZHBXULFUEJUOJG-CVEARBPZSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267089053 1078561950 /nfs/dbraw/zinc/56/19/50/1078561950.db2.gz BBXIENBVTPSCIP-ROUUACIJSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267107665 1078584734 /nfs/dbraw/zinc/58/47/34/1078584734.db2.gz IUVNSKCPZNOURS-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267132758 1078605182 /nfs/dbraw/zinc/60/51/82/1078605182.db2.gz SCFYJLIPZYNJSV-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001570534149 1067989440 /nfs/dbraw/zinc/98/94/40/1067989440.db2.gz CQXCXDXOLVALCA-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267174067 1078638220 /nfs/dbraw/zinc/63/82/20/1078638220.db2.gz VRUVRFJUNRTDPF-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001570710068 1068086250 /nfs/dbraw/zinc/08/62/50/1068086250.db2.gz ASXDWQVIIAAVQX-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570907271 1068157883 /nfs/dbraw/zinc/15/78/83/1068157883.db2.gz CYXOQGJGKQCQKZ-HOTGVXAUSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001570938211 1068163719 /nfs/dbraw/zinc/16/37/19/1068163719.db2.gz LXESJSZACOMMNY-OSYLJGHBSA-N 2 0 319.493 2.119 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001571639549 1068453826 /nfs/dbraw/zinc/45/38/26/1068453826.db2.gz QPKIDQQLJVLOFK-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483672680 1078770967 /nfs/dbraw/zinc/77/09/67/1078770967.db2.gz WOMAOYZEGHZJTM-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001521462343 1069243826 /nfs/dbraw/zinc/24/38/26/1069243826.db2.gz DCMWMXWDYGQHBJ-YJBOKZPZSA-N 2 0 315.461 2.233 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001574852419 1069277680 /nfs/dbraw/zinc/27/76/80/1069277680.db2.gz SGQNIOXPEHPECG-OLZOCXBDSA-N 2 0 311.813 2.003 20 30 DEEDRP C=CC[N@@H+](CCc1ccccc1)CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574929366 1069298770 /nfs/dbraw/zinc/29/87/70/1069298770.db2.gz ALBYCWQBKZNQCR-DFNIBXOVSA-N 2 0 300.446 2.363 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267544333 1078973231 /nfs/dbraw/zinc/97/32/31/1078973231.db2.gz KCVREQRADKDAIF-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267604022 1079172027 /nfs/dbraw/zinc/17/20/27/1079172027.db2.gz GUIXLZKBAORZGA-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483918418 1079184081 /nfs/dbraw/zinc/18/40/81/1079184081.db2.gz ZGIHJFRDYKHHMX-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001483972349 1079213586 /nfs/dbraw/zinc/21/35/86/1079213586.db2.gz JURNRZHOFYWGBU-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072410 1079287711 /nfs/dbraw/zinc/28/77/11/1079287711.db2.gz UZNBOMYGMZRCEU-SFHVURJKSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484115152 1079306877 /nfs/dbraw/zinc/30/68/77/1079306877.db2.gz QPYJVBJRHWVVGG-HKUYNNGSSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484163436 1079338120 /nfs/dbraw/zinc/33/81/20/1079338120.db2.gz JZZHEAVKZOULMA-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267657828 1079348154 /nfs/dbraw/zinc/34/81/54/1079348154.db2.gz FVFQUEDUBOGMGV-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001565856362 1075198308 /nfs/dbraw/zinc/19/83/08/1075198308.db2.gz JURSFGBXZJGSTJ-CALCHBBNSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001565960799 1075210512 /nfs/dbraw/zinc/21/05/12/1075210512.db2.gz CJIOFCBZDNAQLR-IKGGRYGDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001565977328 1075212506 /nfs/dbraw/zinc/21/25/06/1075212506.db2.gz YOMBRDRERDDBEM-AOIWGVFYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267689277 1079376444 /nfs/dbraw/zinc/37/64/44/1079376444.db2.gz CWCDEWVDNNEQHD-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566668883 1075310818 /nfs/dbraw/zinc/31/08/18/1075310818.db2.gz DONULDRSMZJNJJ-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001566755363 1075337297 /nfs/dbraw/zinc/33/72/97/1075337297.db2.gz DBSZLMBIWULIJU-HDICACEKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001566790787 1075345055 /nfs/dbraw/zinc/34/50/55/1075345055.db2.gz YCHCOJBQUREPRH-QBPKDAKJSA-N 2 0 307.482 2.451 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567192101 1075458844 /nfs/dbraw/zinc/45/88/44/1075458844.db2.gz TXPPHPIWUFUIFH-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001567263685 1075480265 /nfs/dbraw/zinc/48/02/65/1075480265.db2.gz ZLVOCIBIZSPWEC-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001567264048 1075480433 /nfs/dbraw/zinc/48/04/33/1075480433.db2.gz AOAGJFPZOPVNRW-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001267874895 1079561026 /nfs/dbraw/zinc/56/10/26/1079561026.db2.gz ZPJYEQGZNBFZFM-PKOBYXMFSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001484552256 1079656209 /nfs/dbraw/zinc/65/62/09/1079656209.db2.gz YLZZAWOMPKNYOH-MRXNPFEDSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001284033043 1079725655 /nfs/dbraw/zinc/72/56/55/1079725655.db2.gz NMLYFHKQZPXYKN-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001484926312 1079858092 /nfs/dbraw/zinc/85/80/92/1079858092.db2.gz ONXQCRAWAMJJIE-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481487616 1079945050 /nfs/dbraw/zinc/94/50/50/1079945050.db2.gz GEQYDCDKTRRBPF-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001485097103 1079980009 /nfs/dbraw/zinc/98/00/09/1079980009.db2.gz IUHLMZWGQQXWPH-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001656143158 1080053819 /nfs/dbraw/zinc/05/38/19/1080053819.db2.gz LAQBLEGJBCRIJU-IYBDPMFKSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268155195 1080127923 /nfs/dbraw/zinc/12/79/23/1080127923.db2.gz GYLNUYYSZBDDRP-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272699329 1080153555 /nfs/dbraw/zinc/15/35/55/1080153555.db2.gz HGBCNWOLHFWEDS-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001268198361 1080185566 /nfs/dbraw/zinc/18/55/66/1080185566.db2.gz XFFDKMACLKZUDQ-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001485432713 1080205127 /nfs/dbraw/zinc/20/51/27/1080205127.db2.gz BBQLGSUNBQJQQX-GVDBMIGSSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494054534 1080371948 /nfs/dbraw/zinc/37/19/48/1080371948.db2.gz KMNPSTYBGUGCIQ-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001485723656 1080391607 /nfs/dbraw/zinc/39/16/07/1080391607.db2.gz GTVJFBKXQTUUAL-AEFFLSMTSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001485731076 1080405420 /nfs/dbraw/zinc/40/54/20/1080405420.db2.gz PIHGFBAFIUKBOL-AWEZNQCLSA-N 2 0 312.417 2.154 20 30 DEEDRP C#CCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001485765451 1080421474 /nfs/dbraw/zinc/42/14/74/1080421474.db2.gz KQBPLFVTAGLDNE-UHFFFAOYSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001279328931 1080456835 /nfs/dbraw/zinc/45/68/35/1080456835.db2.gz MYKNBNLIPIQUCQ-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001661216134 1080456813 /nfs/dbraw/zinc/45/68/13/1080456813.db2.gz KBTSNAONMAUWAC-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268458209 1080523208 /nfs/dbraw/zinc/52/32/08/1080523208.db2.gz HFDRCUFZPRVERL-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481879968 1080571672 /nfs/dbraw/zinc/57/16/72/1080571672.db2.gz BHACSADEYANHKA-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001481947290 1080637723 /nfs/dbraw/zinc/63/77/23/1080637723.db2.gz HEUQMDFGRCESJR-GOSISDBHSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663067874 1080695123 /nfs/dbraw/zinc/69/51/23/1080695123.db2.gz ZCGHBYPNICVFJY-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001664726155 1080949359 /nfs/dbraw/zinc/94/93/59/1080949359.db2.gz FQVIMLADAKZJGK-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665741979 1081075201 /nfs/dbraw/zinc/07/52/01/1081075201.db2.gz IPAPDIHRSXHZKF-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001666157479 1081128641 /nfs/dbraw/zinc/12/86/41/1081128641.db2.gz ODCPJQGBZNEGFD-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001666364054 1081147997 /nfs/dbraw/zinc/14/79/97/1081147997.db2.gz DMYHOJBMMSSCAI-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666619625 1081167498 /nfs/dbraw/zinc/16/74/98/1081167498.db2.gz HJZQAYZMQZCNLF-PBHICJAKSA-N 2 0 313.461 2.117 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001666913495 1081192845 /nfs/dbraw/zinc/19/28/45/1081192845.db2.gz CSJQJRNPMWIDJT-CYBMUJFWSA-N 2 0 309.479 2.436 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001667133848 1081215182 /nfs/dbraw/zinc/21/51/82/1081215182.db2.gz ACVWXIVINDFFAP-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001667151838 1081216453 /nfs/dbraw/zinc/21/64/53/1081216453.db2.gz VJDRYGINSUOXEJ-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001667151055 1081216797 /nfs/dbraw/zinc/21/67/97/1081216797.db2.gz JHOAYDZKKJUFGE-RDJZCZTQSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001284600054 1081340006 /nfs/dbraw/zinc/34/00/06/1081340006.db2.gz YJFYSJRBERPMSK-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001668321106 1081341053 /nfs/dbraw/zinc/34/10/53/1081341053.db2.gz WRQUUJMURYLQHE-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001668900337 1081408390 /nfs/dbraw/zinc/40/83/90/1081408390.db2.gz XMKANMZFLUHLIJ-HJWRWDBZSA-N 2 0 307.482 2.478 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001669968212 1081484812 /nfs/dbraw/zinc/48/48/12/1081484812.db2.gz VUQPKMGEEHDICS-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001671916449 1081550216 /nfs/dbraw/zinc/55/02/16/1081550216.db2.gz LXPDVZCTVVMBMJ-AEFFLSMTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001672234292 1081570385 /nfs/dbraw/zinc/57/03/85/1081570385.db2.gz JQDKGWYZKULNJR-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ccnc2C(C)C)C1 ZINC001270631476 1081575689 /nfs/dbraw/zinc/57/56/89/1081575689.db2.gz CANJJHQJMPEJGZ-QGZVFWFLSA-N 2 0 304.438 2.163 20 30 DEEDRP C=CCC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000951758593 1081581227 /nfs/dbraw/zinc/58/12/27/1081581227.db2.gz PAJRQVZKXYJVAN-UHFFFAOYSA-N 2 0 301.434 2.082 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001674154775 1081847263 /nfs/dbraw/zinc/84/72/63/1081847263.db2.gz MJVVRWWUGZADND-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001674469458 1081877663 /nfs/dbraw/zinc/87/76/63/1081877663.db2.gz KNGXNVMGURYWMQ-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266373447 1082005443 /nfs/dbraw/zinc/00/54/43/1082005443.db2.gz DHNABZXSZIRXDM-KRWDZBQOSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001271318865 1082011478 /nfs/dbraw/zinc/01/14/78/1082011478.db2.gz XXDFCNAQNOWQDW-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001271425333 1082036639 /nfs/dbraw/zinc/03/66/39/1082036639.db2.gz HQMCSQTZKLWCHO-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266466616 1082055341 /nfs/dbraw/zinc/05/53/41/1082055341.db2.gz RQCPKVXHYHWZKK-IAGOWNOFSA-N 2 0 309.498 2.319 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001670469324 1082145348 /nfs/dbraw/zinc/14/53/48/1082145348.db2.gz HJLZCKYCARHANO-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001271764265 1082147831 /nfs/dbraw/zinc/14/78/31/1082147831.db2.gz JFNLIVYBYQYUGF-KZNAEPCWSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266573344 1082167401 /nfs/dbraw/zinc/16/74/01/1082167401.db2.gz QPGHOQSWAILBQM-KRWDZBQOSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001482538659 1082185638 /nfs/dbraw/zinc/18/56/38/1082185638.db2.gz UZTYPKPTSYETGQ-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001670586985 1082189209 /nfs/dbraw/zinc/18/92/09/1082189209.db2.gz DHFAOKQVWOCXRM-IAGOWNOFSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266693028 1082288743 /nfs/dbraw/zinc/28/87/43/1082288743.db2.gz MFCYFTWQNWNVMC-YESZJQIVSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266793537 1082348625 /nfs/dbraw/zinc/34/86/25/1082348625.db2.gz PKYQSUZPECBXNZ-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483172220 1082791319 /nfs/dbraw/zinc/79/13/19/1082791319.db2.gz KGYCGWBGZDIGGS-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001276839509 1083639981 /nfs/dbraw/zinc/63/99/81/1083639981.db2.gz JPUQZFVSWHEPKU-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276885334 1083663476 /nfs/dbraw/zinc/66/34/76/1083663476.db2.gz HXFRWUFSOQSQMQ-VQIMIIECSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115708001 1083801085 /nfs/dbraw/zinc/80/10/85/1083801085.db2.gz ISMKXPUFAXPKHF-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001115708021 1083803818 /nfs/dbraw/zinc/80/38/18/1083803818.db2.gz JYJYHVLVATYTKL-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151973 1083813152 /nfs/dbraw/zinc/81/31/52/1083813152.db2.gz NYDSIZOSJUXQQY-APWZRJJASA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001277662740 1084082665 /nfs/dbraw/zinc/08/26/65/1084082665.db2.gz NFKJLGXASLPSPD-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001491120502 1084086944 /nfs/dbraw/zinc/08/69/44/1084086944.db2.gz QGWLJQLTEPRXRW-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491122400 1084087545 /nfs/dbraw/zinc/08/75/45/1084087545.db2.gz IYNRXUHMPAEQMD-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001277702247 1084102648 /nfs/dbraw/zinc/10/26/48/1084102648.db2.gz JMTQYVPVSIJCAV-ZWKOTPCHSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168594830 1084111859 /nfs/dbraw/zinc/11/18/59/1084111859.db2.gz AYTKZLWJMSWGFQ-UHFFFAOYSA-N 2 0 303.878 2.347 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001670939828 1084159108 /nfs/dbraw/zinc/15/91/08/1084159108.db2.gz MNDGEYUUIPEJEM-ALOPSCKCSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491236927 1084174706 /nfs/dbraw/zinc/17/47/06/1084174706.db2.gz PXWDLULWVMBZBT-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491272584 1084200885 /nfs/dbraw/zinc/20/08/85/1084200885.db2.gz YCCZFJFRFKFMDY-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000964534150 1085262252 /nfs/dbraw/zinc/26/22/52/1085262252.db2.gz RWLLKIPSPGSJOX-APUKJBRXSA-N 2 0 317.477 2.064 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961413017 1085723501 /nfs/dbraw/zinc/72/35/01/1085723501.db2.gz WREFQBZFCNZUKZ-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCN1CC[C@]2(CC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273127540 1086287875 /nfs/dbraw/zinc/28/78/75/1086287875.db2.gz DDBXSESEJWSDHZ-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963787375 1086559321 /nfs/dbraw/zinc/55/93/21/1086559321.db2.gz IWABDNNSLHRUDI-APUKJBRXSA-N 2 0 319.493 2.452 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494634029 1087232384 /nfs/dbraw/zinc/23/23/84/1087232384.db2.gz YNKGNKZOOJYKKI-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085196967 1088607549 /nfs/dbraw/zinc/60/75/49/1088607549.db2.gz WZXHRSBYMLXEIE-BRWVUGGUSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513283 1089996289 /nfs/dbraw/zinc/99/62/89/1089996289.db2.gz HGDIVBOHGGIHBV-SOLBZPMBSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570213 1090007749 /nfs/dbraw/zinc/00/77/49/1090007749.db2.gz CBIXCKUYKNOMBA-BPLDGKMQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001084970648 1090555136 /nfs/dbraw/zinc/55/51/36/1090555136.db2.gz OJQZJZGRJIJUTD-ZACQAIPSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101456 1090645252 /nfs/dbraw/zinc/64/52/52/1090645252.db2.gz LVCGPRAUTAIYDN-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001274925556 1091476833 /nfs/dbraw/zinc/47/68/33/1091476833.db2.gz HUUCBZBQIKBBJB-NXHRZFHOSA-N 2 0 315.461 2.002 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001275024729 1091518980 /nfs/dbraw/zinc/51/89/80/1091518980.db2.gz PFBWDNAIEQLOJT-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275131304 1091571970 /nfs/dbraw/zinc/57/19/70/1091571970.db2.gz OUJKPXASOSPOGJ-MSOLQXFVSA-N 2 0 311.514 2.294 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001276207448 1091691263 /nfs/dbraw/zinc/69/12/63/1091691263.db2.gz DADKGYLLLKHOPP-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001671075730 1091731491 /nfs/dbraw/zinc/73/14/91/1091731491.db2.gz WXCQDALDPJKFAQ-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948756211 1091916739 /nfs/dbraw/zinc/91/67/39/1091916739.db2.gz ZZOUXDZGBHGOKZ-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948767715 1091925169 /nfs/dbraw/zinc/92/51/69/1091925169.db2.gz ZRNIZCODWHIATH-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001273795740 1092054491 /nfs/dbraw/zinc/05/44/91/1092054491.db2.gz MVHLIAHLZHWYQQ-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001275750782 1092078179 /nfs/dbraw/zinc/07/81/79/1092078179.db2.gz LVQVOXWWIZNYPD-KRWDZBQOSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001275793427 1092135752 /nfs/dbraw/zinc/13/57/52/1092135752.db2.gz OVCWFCVFRSLLOX-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001489238848 1092999808 /nfs/dbraw/zinc/99/98/08/1092999808.db2.gz PSFRFUJLMJHPRY-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001480272668 1151736583 /nfs/dbraw/zinc/73/65/83/1151736583.db2.gz XMOOKJYFRCWMHJ-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001691745905 1138293401 /nfs/dbraw/zinc/29/34/01/1138293401.db2.gz VZIDSBKCXOKOIO-XWTMOSNGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001278004975 1138406757 /nfs/dbraw/zinc/40/67/57/1138406757.db2.gz ICUVVTHZDUJOPC-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001278194565 1138826461 /nfs/dbraw/zinc/82/64/61/1138826461.db2.gz PZTOWUGIAGAWJW-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001278250160 1138857864 /nfs/dbraw/zinc/85/78/64/1138857864.db2.gz IPOFDFXDYKCVAT-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316668717 1140308562 /nfs/dbraw/zinc/30/85/62/1140308562.db2.gz KFDPMOKVTSWPQS-KRWDZBQOSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318446183 1140333219 /nfs/dbraw/zinc/33/32/19/1140333219.db2.gz TYUMLAXDFMLKAI-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001319631336 1140628352 /nfs/dbraw/zinc/62/83/52/1140628352.db2.gz NWKQXNUDPDBWLJ-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001319915521 1140803077 /nfs/dbraw/zinc/80/30/77/1140803077.db2.gz KRVBPLUDYQRCIF-HNNXBMFYSA-N 2 0 321.490 2.177 20 30 DEEDRP C=CCCC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001320020638 1140813011 /nfs/dbraw/zinc/81/30/11/1140813011.db2.gz JYURCNQIVSLBCB-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCN1CC[NH2+]CC1 ZINC001245983284 1140841075 /nfs/dbraw/zinc/84/10/75/1140841075.db2.gz UWYUAIRDTZNRLP-SFHVURJKSA-N 2 0 313.530 2.373 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321107990 1141054652 /nfs/dbraw/zinc/05/46/52/1141054652.db2.gz DAECNQPPWZMMNE-WCYDHSITSA-N 2 0 311.857 2.018 20 30 DEEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCCSC3)cc2)CC1 ZINC001353100991 1151810252 /nfs/dbraw/zinc/81/02/52/1151810252.db2.gz GOIXOTBHXZDNGR-INIZCTEOSA-N 2 0 318.490 2.258 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001323358078 1141845638 /nfs/dbraw/zinc/84/56/38/1141845638.db2.gz RFAFPCBWSZLSBI-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001324440931 1142078477 /nfs/dbraw/zinc/07/84/77/1142078477.db2.gz JHDRLDUIBPEVGO-UHFFFAOYSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278571161 1142210969 /nfs/dbraw/zinc/21/09/69/1142210969.db2.gz KLACNSVPOWOFEU-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]CCOCC[NH3+])CC1 ZINC001254345332 1143085269 /nfs/dbraw/zinc/08/52/69/1143085269.db2.gz XQXNZXUCNXUWCF-UHFFFAOYSA-N 2 0 305.397 2.095 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001341701323 1143672632 /nfs/dbraw/zinc/67/26/32/1143672632.db2.gz OIROUBYLPGJXJZ-QZTJIDSGSA-N 2 0 315.461 2.451 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001341731495 1143687017 /nfs/dbraw/zinc/68/70/17/1143687017.db2.gz BVSVBUHUBWNTQR-BPQIPLTHSA-N 2 0 315.461 2.307 20 30 DEEDRP CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])[NH2+]C1CCC(C#N)CC1 ZINC001256959187 1143876680 /nfs/dbraw/zinc/87/66/80/1143876680.db2.gz TXDLHFBBDJJRHB-RUXDESIVSA-N 2 0 310.442 2.248 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001263865841 1144416350 /nfs/dbraw/zinc/41/63/50/1144416350.db2.gz VYVDMSFXLCAGMY-LUKYLMHMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001263957474 1144432550 /nfs/dbraw/zinc/43/25/50/1144432550.db2.gz DXMPKCOUUWMERT-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP 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 1144445421 /nfs/dbraw/zinc/44/54/21/1144445421.db2.gz JRLFSQGINOOWOP-OIISXLGYSA-N 2 0 307.482 2.118 20 30 DEEDRP C=CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001264032292 1144445849 /nfs/dbraw/zinc/44/58/49/1144445849.db2.gz JRLFSQGINOOWOP-HYVNUMGLSA-N 2 0 307.482 2.118 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001264424397 1144536016 /nfs/dbraw/zinc/53/60/16/1144536016.db2.gz GWBIWXAXSMWGLG-QAETUUGQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265088246 1144640542 /nfs/dbraw/zinc/64/05/42/1144640542.db2.gz BCVYHWHNHJETIH-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001265334338 1144694955 /nfs/dbraw/zinc/69/49/55/1144694955.db2.gz PAKVGQKLYFEIRZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265437048 1144704010 /nfs/dbraw/zinc/70/40/10/1144704010.db2.gz UYENXAVWOGOHGT-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265503106 1144707741 /nfs/dbraw/zinc/70/77/41/1144707741.db2.gz IZXFMVGVDVABGL-ULQDDVLXSA-N 2 0 301.434 2.102 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523914 1144708748 /nfs/dbraw/zinc/70/87/48/1144708748.db2.gz QVRUGVJZAYKHGJ-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265613550 1144718086 /nfs/dbraw/zinc/71/80/86/1144718086.db2.gz QVKZAKJTIHHJDV-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265914774 1144756235 /nfs/dbraw/zinc/75/62/35/1144756235.db2.gz WJLBLWKSSMAKLP-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001266041451 1144798725 /nfs/dbraw/zinc/79/87/25/1144798725.db2.gz VRJWKCCBHFBDSN-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266099381 1144805285 /nfs/dbraw/zinc/80/52/85/1144805285.db2.gz FGPYXTREXSOQQZ-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001266183870 1144812291 /nfs/dbraw/zinc/81/22/91/1144812291.db2.gz UFLPEJONTSWTGE-INIZCTEOSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001279566032 1144824801 /nfs/dbraw/zinc/82/48/01/1144824801.db2.gz WIYCLGZPXYJEOR-ZWKOTPCHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001280095591 1144832054 /nfs/dbraw/zinc/83/20/54/1144832054.db2.gz RDAJRRAMHPYWEB-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001281963957 1144924155 /nfs/dbraw/zinc/92/41/55/1144924155.db2.gz ANEOBEMCBNAWTO-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001282844622 1145175626 /nfs/dbraw/zinc/17/56/26/1145175626.db2.gz KDWDDQNPCISNEF-FJIDUMEYSA-N 2 0 321.509 2.345 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001316626071 1145368824 /nfs/dbraw/zinc/36/88/24/1145368824.db2.gz ZAVLNLDQWSCVPL-IXDOHACOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001283532672 1145503365 /nfs/dbraw/zinc/50/33/65/1145503365.db2.gz OYEIIOHKHDKGJW-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]21 ZINC001284095749 1145796831 /nfs/dbraw/zinc/79/68/31/1145796831.db2.gz JGJOKPMHQZNKIP-BHYGNILZSA-N 2 0 316.449 2.135 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001284098028 1145797576 /nfs/dbraw/zinc/79/75/76/1145797576.db2.gz WMTGSMNZJOMXIH-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001284348046 1145840665 /nfs/dbraw/zinc/84/06/65/1145840665.db2.gz REILPMJBUUDDII-JKSUJKDBSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001284818167 1145924925 /nfs/dbraw/zinc/92/49/25/1145924925.db2.gz AKCIRUZXTLIXPQ-JCYILVPMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001317165793 1146413588 /nfs/dbraw/zinc/41/35/88/1146413588.db2.gz JQACNVPGJZCPTC-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001317165795 1146414490 /nfs/dbraw/zinc/41/44/90/1146414490.db2.gz JQACNVPGJZCPTC-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001316642872 1146516671 /nfs/dbraw/zinc/51/66/71/1146516671.db2.gz XAYWFTYSIJVNDZ-SAABIXHNSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491808790 1146927361 /nfs/dbraw/zinc/92/73/61/1146927361.db2.gz OREAJJQKOHTYSK-CYBMUJFWSA-N 2 0 307.463 2.047 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491933455 1147006770 /nfs/dbraw/zinc/00/67/70/1147006770.db2.gz AUFNPOZKPZRXAE-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001366148629 1147079367 /nfs/dbraw/zinc/07/93/67/1147079367.db2.gz HPXDANOINOVPKG-MCIONIFRSA-N 2 0 324.856 2.386 20 30 DEEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480732035 1147168537 /nfs/dbraw/zinc/16/85/37/1147168537.db2.gz ZUXQHFJFIQEZOT-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741973 1147552184 /nfs/dbraw/zinc/55/21/84/1147552184.db2.gz CVEXVDSFLFQBFH-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001317006262 1147647649 /nfs/dbraw/zinc/64/76/49/1147647649.db2.gz JWHICMXMCOUSHR-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317006689 1147647676 /nfs/dbraw/zinc/64/76/76/1147647676.db2.gz LNUSWRXFMXKKME-MRXNPFEDSA-N 2 0 317.477 2.019 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317076120 1147656640 /nfs/dbraw/zinc/65/66/40/1147656640.db2.gz MHRVJOOVMGLHRY-WKILWMFISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317158473 1147668009 /nfs/dbraw/zinc/66/80/09/1147668009.db2.gz UOVHJXBUVDJBHM-MRXNPFEDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317304171 1147688157 /nfs/dbraw/zinc/68/81/57/1147688157.db2.gz OUPITGWVZGSFNU-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001317557783 1147725042 /nfs/dbraw/zinc/72/50/42/1147725042.db2.gz AACSVGNRRBKSPD-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001324750882 1147839748 /nfs/dbraw/zinc/83/97/48/1147839748.db2.gz JUUKCXZUPAICBG-GOSISDBHSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325428828 1147907726 /nfs/dbraw/zinc/90/77/26/1147907726.db2.gz NKAWAVAFFURAFT-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001325582539 1147955591 /nfs/dbraw/zinc/95/55/91/1147955591.db2.gz RIACXHUHVCBPMF-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001326419825 1148097265 /nfs/dbraw/zinc/09/72/65/1148097265.db2.gz SEYBXRVBOHSWHX-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP COCC1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC[NH2+]CC1 ZINC000423407198 230498310 /nfs/dbraw/zinc/49/83/10/230498310.db2.gz LWWHFJKWXPLFHL-CYBMUJFWSA-N 2 0 305.397 2.364 20 30 DEEDRP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000261977700 530056664 /nfs/dbraw/zinc/05/66/64/530056664.db2.gz GTYDLTWBRVIMRY-LLVKDONJSA-N 2 0 316.327 2.406 20 30 DEEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859276 191242931 /nfs/dbraw/zinc/24/29/31/191242931.db2.gz OTJOAHIFQXQDHO-MRXNPFEDSA-N 2 0 314.433 2.160 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000073436872 191316219 /nfs/dbraw/zinc/31/62/19/191316219.db2.gz VOIFYGBQAKGTTL-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719820 359304824 /nfs/dbraw/zinc/30/48/24/359304824.db2.gz JIZVWJKWWZSXCP-INIZCTEOSA-N 2 0 319.449 2.017 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001422061080 1172265341 /nfs/dbraw/zinc/26/53/41/1172265341.db2.gz PKVJYXBMSDYWMA-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000602515552 360413836 /nfs/dbraw/zinc/41/38/36/360413836.db2.gz PMETXUBKAXWCHF-KRWDZBQOSA-N 2 0 314.477 2.463 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+](CC3(CC#N)CC3)CC2)CC1 ZINC000602801597 360562271 /nfs/dbraw/zinc/56/22/71/360562271.db2.gz XBXNKBPWJPDBJL-UHFFFAOYSA-N 2 0 304.482 2.171 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@H+](CC3(CC#N)CC3)CC2)CC1 ZINC000602847068 360587254 /nfs/dbraw/zinc/58/72/54/360587254.db2.gz RSQGGZHVJIRHLZ-UHFFFAOYSA-N 2 0 304.482 2.172 20 30 DEEDRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000611465377 361604259 /nfs/dbraw/zinc/60/42/59/361604259.db2.gz AKABIMJTJMERDV-AWEZNQCLSA-N 2 0 318.440 2.374 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000106290806 194194400 /nfs/dbraw/zinc/19/44/00/194194400.db2.gz XZQBENAMJQMORU-JYJNAYRXSA-N 2 0 307.482 2.404 20 30 DEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCSCC#N)CC1 ZINC000074989812 401746146 /nfs/dbraw/zinc/74/61/46/401746146.db2.gz OLCWJQVOGHVQGP-IAGOWNOFSA-N 2 0 324.538 2.124 20 30 DEEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159019328 402315971 /nfs/dbraw/zinc/31/59/71/402315971.db2.gz KSBGAYURDBFNOE-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000170913175 402541303 /nfs/dbraw/zinc/54/13/03/402541303.db2.gz ZRTYOGFNQMKKRU-KRWDZBQOSA-N 2 0 318.465 2.383 20 30 DEEDRP [NH2+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccn1 ZINC000179738781 402599077 /nfs/dbraw/zinc/59/90/77/402599077.db2.gz BKESCCNHRUMKCN-UHFFFAOYSA-N 2 0 310.405 2.120 20 30 DEEDRP C[NH+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC1 ZINC000264085778 402837755 /nfs/dbraw/zinc/83/77/55/402837755.db2.gz VPGBIDQLZPYSSV-CYBMUJFWSA-N 2 0 306.479 2.288 20 30 DEEDRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278668042 402869463 /nfs/dbraw/zinc/86/94/63/402869463.db2.gz JBPUIWQBIDVERF-CRAIPNDOSA-N 2 0 300.450 2.235 20 30 DEEDRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000265445070 402919694 /nfs/dbraw/zinc/91/96/94/402919694.db2.gz RBJBVRNZTZZQAT-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP C=CCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267235206 403027929 /nfs/dbraw/zinc/02/79/29/403027929.db2.gz WTDCHMPXRUXBSZ-UHFFFAOYSA-N 2 0 316.449 2.066 20 30 DEEDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269401701 403136607 /nfs/dbraw/zinc/13/66/07/403136607.db2.gz GIBJDKQHZXQECW-UHFFFAOYSA-N 2 0 318.440 2.061 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc2[nH]ccc21 ZINC000283765653 403221595 /nfs/dbraw/zinc/22/15/95/403221595.db2.gz IJVDKMRTOOQPRU-OAHLLOKOSA-N 2 0 313.449 2.099 20 30 DEEDRP C=CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276500204 403181232 /nfs/dbraw/zinc/18/12/32/403181232.db2.gz WDKZGAUVNIORFW-SJLPKXTDSA-N 2 0 315.461 2.274 20 30 DEEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283989141 403237085 /nfs/dbraw/zinc/23/70/85/403237085.db2.gz LWDJSUYMQDXLHS-CQSZACIVSA-N 2 0 318.465 2.362 20 30 DEEDRP CCN1CCO[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1ccccc1 ZINC000284995111 403276830 /nfs/dbraw/zinc/27/68/30/403276830.db2.gz HRYRGSHIHZLJPF-HOTGVXAUSA-N 2 0 318.465 2.151 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)C(C)C ZINC000298654596 403433216 /nfs/dbraw/zinc/43/32/16/403433216.db2.gz GFMXTGZTRUZQIP-KRWDZBQOSA-N 2 0 322.497 2.032 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000294255819 403684914 /nfs/dbraw/zinc/68/49/14/403684914.db2.gz ZNNACLBCAJSSDM-BRWVUGGUSA-N 2 0 307.482 2.176 20 30 DEEDRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000344238309 404000270 /nfs/dbraw/zinc/00/02/70/404000270.db2.gz ISJYEPNJMIBFIJ-UKPHBRMFSA-N 2 0 316.424 2.206 20 30 DEEDRP C=CCOCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000348049085 404022497 /nfs/dbraw/zinc/02/24/97/404022497.db2.gz IMIKADXWZYEGMH-UHFFFAOYSA-N 2 0 309.498 2.070 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363661083 404215014 /nfs/dbraw/zinc/21/50/14/404215014.db2.gz PFVBHTREBMNGRG-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415907593 404968872 /nfs/dbraw/zinc/96/88/72/404968872.db2.gz BMUHAHSDHPUTQQ-UHFFFAOYSA-N 2 0 302.422 2.178 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000424155229 405025134 /nfs/dbraw/zinc/02/51/34/405025134.db2.gz MOKMSWNFNFLBCL-DLBZAZTESA-N 2 0 320.481 2.122 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423495159 405826365 /nfs/dbraw/zinc/82/63/65/405826365.db2.gz DYJMKSVVNZMSPO-IEBWSBKVSA-N 2 0 312.461 2.240 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]CCC[NH2+]C3CC3)CC2)cc1 ZINC000423573628 405857999 /nfs/dbraw/zinc/85/79/99/405857999.db2.gz ZGCZLCKRWNDBAK-UHFFFAOYSA-N 2 0 312.461 2.254 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(C#N)cc2)CC1 ZINC000533150039 406125851 /nfs/dbraw/zinc/12/58/51/406125851.db2.gz HEGCIZFQLJSUDW-UHFFFAOYSA-N 2 0 307.401 2.317 20 30 DEEDRP COC1CC[NH+](C2(CNC(=[NH2+])NC3CCCC3)CCCC2)CC1 ZINC000263153213 225292927 /nfs/dbraw/zinc/29/29/27/225292927.db2.gz MLJFEQIFHHNBLE-UHFFFAOYSA-N 2 0 322.497 2.257 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000264116540 225306218 /nfs/dbraw/zinc/30/62/18/225306218.db2.gz SWMULBYTTMZTMU-RDJZCZTQSA-N 2 0 318.465 2.071 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898585 782031024 /nfs/dbraw/zinc/03/10/24/782031024.db2.gz LXWOMYSRAWYDNF-IKGGRYGDSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1OC ZINC000650714908 425041461 /nfs/dbraw/zinc/04/14/61/425041461.db2.gz HNKPKEHDEUEZJC-CRAIPNDOSA-N 2 0 320.433 2.056 20 30 DEEDRP FC1(F)C[C@]12CC[NH+](CC#CC[N@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649908107 425100041 /nfs/dbraw/zinc/10/00/41/425100041.db2.gz HAEZHNQQUBPGEI-KBPBESRZSA-N 2 0 316.342 2.452 20 30 DEEDRP C=CC[C@]1(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CCC[NH2+]1 ZINC000662691957 425714600 /nfs/dbraw/zinc/71/46/00/425714600.db2.gz BIPFNVBTCCSYBY-LJQANCHMSA-N 2 0 315.461 2.453 20 30 DEEDRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429684904 288153325 /nfs/dbraw/zinc/15/33/25/288153325.db2.gz NSELJFHWVRXRJG-CYGHRXIMSA-N 2 0 305.466 2.500 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000424155231 303151534 /nfs/dbraw/zinc/15/15/34/303151534.db2.gz MOKMSWNFNFLBCL-IRXDYDNUSA-N 2 0 320.481 2.122 20 30 DEEDRP C=CC[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001329761359 1148989800 /nfs/dbraw/zinc/98/98/00/1148989800.db2.gz LIFFSHRZXZTNHD-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000534799815 334337494 /nfs/dbraw/zinc/33/74/94/334337494.db2.gz MVUNWJDLRDPQRL-KRWDZBQOSA-N 2 0 317.477 2.298 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC1(C)C ZINC001369444874 1148990771 /nfs/dbraw/zinc/99/07/71/1148990771.db2.gz MWKFKWLGBFWPKZ-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541855175 340986027 /nfs/dbraw/zinc/98/60/27/340986027.db2.gz AIGWZZLBTVCBMA-UHFFFAOYSA-N 2 0 316.449 2.065 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)C(C)C ZINC000134572009 341218580 /nfs/dbraw/zinc/21/85/80/341218580.db2.gz RWAPECRBTGOPHO-WMZOPIPTSA-N 2 0 307.482 2.333 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001399375190 1161368523 /nfs/dbraw/zinc/36/85/23/1161368523.db2.gz KODNRLUGHYSRGM-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)C(C)C ZINC000417062881 517329374 /nfs/dbraw/zinc/32/93/74/517329374.db2.gz MOCFWZFATMEHNJ-QGZVFWFLSA-N 2 0 322.497 2.065 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264119730 526574948 /nfs/dbraw/zinc/57/49/48/526574948.db2.gz UOWHMZCUTQAURT-CQSZACIVSA-N 2 0 306.479 2.441 20 30 DEEDRP C#Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000377656264 527434265 /nfs/dbraw/zinc/43/42/65/527434265.db2.gz RVDMMUDUVNPGRY-FXAWDEMLSA-N 2 0 311.473 2.126 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000267855297 528032438 /nfs/dbraw/zinc/03/24/38/528032438.db2.gz MMJCJXHIWRNJPS-MRXNPFEDSA-N 2 0 306.454 2.387 20 30 DEEDRP CC(C)c1cccc(NC(=[NH2+])NCCC[NH+]2CCC(O)CC2)c1 ZINC000264125908 528173340 /nfs/dbraw/zinc/17/33/40/528173340.db2.gz WHFHKGGLQQJEBP-UHFFFAOYSA-N 2 0 318.465 2.383 20 30 DEEDRP CC[NH+]=C(NCC1(C)CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262753003 528802010 /nfs/dbraw/zinc/80/20/10/528802010.db2.gz CKFGRXMRHLDZKR-INIZCTEOSA-N 2 0 304.482 2.478 20 30 DEEDRP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262772088 528805465 /nfs/dbraw/zinc/80/54/65/528805465.db2.gz IYPVSNGVHCLNCK-DZGCQCFKSA-N 2 0 324.538 2.310 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000264098787 529100134 /nfs/dbraw/zinc/10/01/34/529100134.db2.gz MIOXYRQDKGPKHJ-HNNXBMFYSA-N 2 0 313.449 2.099 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264162715 529100556 /nfs/dbraw/zinc/10/05/56/529100556.db2.gz BKZQHPWUEARQQL-JCYILVPMSA-N 2 0 300.450 2.321 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023553243 625323555 /nfs/dbraw/zinc/32/35/55/625323555.db2.gz YCYBFYMFJRMHSO-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761790 625427309 /nfs/dbraw/zinc/42/73/09/625427309.db2.gz JJDAJYBPJLUNED-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833090 622942688 /nfs/dbraw/zinc/94/26/88/622942688.db2.gz LPNGSHFCIHHWDU-MAUKXSAKSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970061336 623087712 /nfs/dbraw/zinc/08/77/12/623087712.db2.gz YBECIOPMXKJRJD-AWEZNQCLSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529122 623522954 /nfs/dbraw/zinc/52/29/54/623522954.db2.gz MIEPRTGFOSPDHJ-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970593380 623564011 /nfs/dbraw/zinc/56/40/11/623564011.db2.gz KNAPRPNFKALAAR-OAHLLOKOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605246 623822721 /nfs/dbraw/zinc/82/27/21/623822721.db2.gz LXDSXVIIONAWCT-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437845 624056440 /nfs/dbraw/zinc/05/64/40/624056440.db2.gz TYWBVRUITCYPJB-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947474025 624642948 /nfs/dbraw/zinc/64/29/48/624642948.db2.gz PNAUATNSIWBNFU-DZGCQCFKSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239391 625052550 /nfs/dbraw/zinc/05/25/50/625052550.db2.gz YYDITESHPIULKT-ZOBUZTSGSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693969 634448614 /nfs/dbraw/zinc/44/86/14/634448614.db2.gz OCIXUIWVLZICFM-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999400882 634579667 /nfs/dbraw/zinc/57/96/67/634579667.db2.gz MKCNSQSZPMICST-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794851 634677992 /nfs/dbraw/zinc/67/79/92/634677992.db2.gz WJNZPRABNHYBDW-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001000150505 634770318 /nfs/dbraw/zinc/77/03/18/634770318.db2.gz RFHVJJJKVSPSCQ-KRWDZBQOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000160702 634770899 /nfs/dbraw/zinc/77/08/99/634770899.db2.gz JQDSZMVBLHEGLF-NVXWUHKLSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000261741 634827427 /nfs/dbraw/zinc/82/74/27/634827427.db2.gz UJLCOSGWCIPMMS-DOTOQJQBSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024692569 632923513 /nfs/dbraw/zinc/92/35/13/632923513.db2.gz OYFHFPNRIZETPJ-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966760 633379921 /nfs/dbraw/zinc/37/99/21/633379921.db2.gz CQMXTZZMAGYTKB-JYJNAYRXSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997083487 633569131 /nfs/dbraw/zinc/56/91/31/633569131.db2.gz KZUOTJVRURHDPE-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc3nccn32)CC1 ZINC000997218396 633679154 /nfs/dbraw/zinc/67/91/54/633679154.db2.gz BGCLMUDZVWGTTI-OAHLLOKOSA-N 2 0 324.428 2.188 20 30 DEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997333406 633703167 /nfs/dbraw/zinc/70/31/67/633703167.db2.gz LOHZFNHCJYGFQB-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997434346 633756371 /nfs/dbraw/zinc/75/63/71/633756371.db2.gz LXMQCGWEMXGVKG-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]CC#Cc2ccccc2)C1 ZINC000893489064 633876609 /nfs/dbraw/zinc/87/66/09/633876609.db2.gz XJLBVZQAPQSVRO-OAQYLSRUSA-N 2 0 320.436 2.395 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027547589 634087928 /nfs/dbraw/zinc/08/79/28/634087928.db2.gz TZPDGCKKXMRGFB-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027637124 634359755 /nfs/dbraw/zinc/35/97/55/634359755.db2.gz MEVUACUAYCVYSY-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981168801 635338894 /nfs/dbraw/zinc/33/88/94/635338894.db2.gz WVORHUHAPKTFLX-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000981448883 635480348 /nfs/dbraw/zinc/48/03/48/635480348.db2.gz XWTBSKOCTSZGMK-ROUUACIJSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000981448881 635480398 /nfs/dbraw/zinc/48/03/98/635480398.db2.gz XWTBSKOCTSZGMK-MSOLQXFVSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001001474237 635514581 /nfs/dbraw/zinc/51/45/81/635514581.db2.gz VTMJPZWGLSRKNE-SFHVURJKSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001539608 635525250 /nfs/dbraw/zinc/52/52/50/635525250.db2.gz NQGAOYQTURDREU-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794930 635554191 /nfs/dbraw/zinc/55/41/91/635554191.db2.gz MTXKFNKREKACHN-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981812183 635666785 /nfs/dbraw/zinc/66/67/85/635666785.db2.gz ILZOEULXQUVPFO-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002791975 635798658 /nfs/dbraw/zinc/79/86/58/635798658.db2.gz LANRFJNBVFPHAO-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982221203 635912091 /nfs/dbraw/zinc/91/20/91/635912091.db2.gz QPUALPYCGYCNOY-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982300428 635956760 /nfs/dbraw/zinc/95/67/60/635956760.db2.gz ZIVMQQPSWMRKRC-YTQUADARSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001003518499 635985719 /nfs/dbraw/zinc/98/57/19/635985719.db2.gz QESWMFSHBDMTMK-UHFFFAOYSA-N 2 0 305.422 2.112 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003775965 636051227 /nfs/dbraw/zinc/05/12/27/636051227.db2.gz DCGZYHBFKRQVCG-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774860 636135127 /nfs/dbraw/zinc/13/51/27/636135127.db2.gz HVTZOXKRFAQROU-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982809422 636477610 /nfs/dbraw/zinc/47/76/10/636477610.db2.gz ZPJFFTBJYCKWBR-KDURUIRLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004538617 636480875 /nfs/dbraw/zinc/48/08/75/636480875.db2.gz DIFOTLFLMNTQHU-QZTJIDSGSA-N 2 0 321.509 2.462 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779933 636647350 /nfs/dbraw/zinc/64/73/50/636647350.db2.gz VTRXSRVXCRGIMM-OKZBNKHCSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005384515 636727776 /nfs/dbraw/zinc/72/77/76/636727776.db2.gz MPUXHZKXKHIKSN-QGZVFWFLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001005391075 636730177 /nfs/dbraw/zinc/73/01/77/636730177.db2.gz OZNYEEQNNDPEMJ-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742108 637216083 /nfs/dbraw/zinc/21/60/83/637216083.db2.gz GTPJWLJSFOHQEP-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000985440534 639410454 /nfs/dbraw/zinc/41/04/54/639410454.db2.gz NPTKBQPSPDUFHY-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000985746402 639612476 /nfs/dbraw/zinc/61/24/76/639612476.db2.gz LEKKOAJRBNVHCJ-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000986443773 639901579 /nfs/dbraw/zinc/90/15/79/639901579.db2.gz BJNLQPAGNGGPFS-PBHICJAKSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000764462734 640640201 /nfs/dbraw/zinc/64/02/01/640640201.db2.gz NODVCZCYWYXSDJ-UHFFFAOYSA-N 2 0 319.474 2.292 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989451752 641011384 /nfs/dbraw/zinc/01/13/84/641011384.db2.gz MVVOZCNPRTUSIM-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000989664065 641191394 /nfs/dbraw/zinc/19/13/94/641191394.db2.gz FDYJEOWFUFNZCZ-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCOc1ccccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000769383142 641229511 /nfs/dbraw/zinc/22/95/11/641229511.db2.gz CUSBSMMRQXAUGG-UHFFFAOYSA-N 2 0 316.445 2.241 20 30 DEEDRP C=CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000771755516 641544915 /nfs/dbraw/zinc/54/49/15/641544915.db2.gz DPFPKYQVUHRZIS-KRWDZBQOSA-N 2 0 303.450 2.302 20 30 DEEDRP C#C[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000775574170 642061028 /nfs/dbraw/zinc/06/10/28/642061028.db2.gz NZKKSCGAEHYNNL-MNEFBYGVSA-N 2 0 316.445 2.458 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000900139692 642269711 /nfs/dbraw/zinc/26/97/11/642269711.db2.gz BSKXFCCDIAMMLD-MRXNPFEDSA-N 2 0 315.461 2.057 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000900333348 642323727 /nfs/dbraw/zinc/32/37/27/642323727.db2.gz LBDPIVFDORRJMI-UHFFFAOYSA-N 2 0 303.450 2.262 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900605399 642419693 /nfs/dbraw/zinc/41/96/93/642419693.db2.gz KLAGTWPMWBKDNG-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)N(C)CC ZINC000780353753 642615283 /nfs/dbraw/zinc/61/52/83/642615283.db2.gz GZJMWTPNTOIMHJ-MSOLQXFVSA-N 2 0 314.429 2.320 20 30 DEEDRP C=C(C)CNC(NC[C@@H]1CCC[N@H+]1CCOC)=[NH+]C(C)(C)C ZINC000912499565 646087749 /nfs/dbraw/zinc/08/77/49/646087749.db2.gz RMYDCOOETUFUAW-HNNXBMFYSA-N 2 0 310.486 2.007 20 30 DEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991866048 646676153 /nfs/dbraw/zinc/67/61/53/646676153.db2.gz ZFXPDDWQTOUYDE-PKOBYXMFSA-N 2 0 322.412 2.084 20 30 DEEDRP 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 646859921 /nfs/dbraw/zinc/85/99/21/646859921.db2.gz DCHIGRZLRVUEBO-IMBTUZDBSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992282908 646927346 /nfs/dbraw/zinc/92/73/46/646927346.db2.gz JLQSFMRMBNFKOC-SJLPKXTDSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC000992734794 647202366 /nfs/dbraw/zinc/20/23/66/647202366.db2.gz BJJFCJKHTDZHCC-BPQIPLTHSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC000992859035 647308914 /nfs/dbraw/zinc/30/89/14/647308914.db2.gz LXZXRRCUXWCEEW-FGTMMUONSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993487077 647685528 /nfs/dbraw/zinc/68/55/28/647685528.db2.gz FHQNCIILCWRWGH-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994057651 647782980 /nfs/dbraw/zinc/78/29/80/647782980.db2.gz RFMSKCPTQNKJNQ-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940994781 648980194 /nfs/dbraw/zinc/98/01/94/648980194.db2.gz YXAWNNLCLZXSJP-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257189 649191991 /nfs/dbraw/zinc/19/19/91/649191991.db2.gz KYQWVCIRAVEAFQ-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCCC)CC1 ZINC000948448951 649229167 /nfs/dbraw/zinc/22/91/67/649229167.db2.gz LZAIBARNKBCJQS-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517945 649231456 /nfs/dbraw/zinc/23/14/56/649231456.db2.gz JMAUFTUPSNAWNV-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943287173 649358542 /nfs/dbraw/zinc/35/85/42/649358542.db2.gz IVKKHPVSWVLRRJ-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000108428858 651630873 /nfs/dbraw/zinc/63/08/73/651630873.db2.gz CKQGVIBCIRDIGD-KRWDZBQOSA-N 2 0 300.450 2.468 20 30 DEEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001391360694 1156357432 /nfs/dbraw/zinc/35/74/32/1156357432.db2.gz LBBULKIVPZSEDH-UHFFFAOYSA-N 2 0 315.889 2.251 20 30 DEEDRP C[C@@H](CCNC(=[NH2+])N1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000304478377 685255487 /nfs/dbraw/zinc/25/54/87/685255487.db2.gz HOLQHTVEPWJADY-HNNXBMFYSA-N 2 0 320.506 2.261 20 30 DEEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000104178425 684058940 /nfs/dbraw/zinc/05/89/40/684058940.db2.gz HJDBTLQSNMRPNZ-UHFFFAOYSA-N 2 0 306.479 2.002 20 30 DEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303878309 685236519 /nfs/dbraw/zinc/23/65/19/685236519.db2.gz FXOULFSJMGIGGW-HUUCEWRRSA-N 2 0 312.527 2.108 20 30 DEEDRP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000303880301 685237790 /nfs/dbraw/zinc/23/77/90/685237790.db2.gz HCJZYORYYZUHIW-HOTGVXAUSA-N 2 0 302.466 2.254 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](C)CC2)cc1Cl ZINC000303899827 685238937 /nfs/dbraw/zinc/23/89/37/685238937.db2.gz WHNDNLWRULGUAU-UHFFFAOYSA-N 2 0 310.829 2.417 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303893641 685239213 /nfs/dbraw/zinc/23/92/13/685239213.db2.gz SARWZGGIVXSJDJ-AWEZNQCLSA-N 2 0 300.406 2.321 20 30 DEEDRP C[C@H]1CCCN(C(=[NH2+])NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000303909380 685240472 /nfs/dbraw/zinc/24/04/72/685240472.db2.gz YDSQIPOSLGJNMA-HNNXBMFYSA-N 2 0 318.465 2.174 20 30 DEEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303975223 685241351 /nfs/dbraw/zinc/24/13/51/685241351.db2.gz IVVRMNRGHPWFGB-LBPRGKRZSA-N 2 0 308.426 2.161 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000929779544 694026725 /nfs/dbraw/zinc/02/67/25/694026725.db2.gz BFCLDBUSKGWOMQ-YJBOKZPZSA-N 2 0 313.445 2.411 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016654256 687675827 /nfs/dbraw/zinc/67/58/27/687675827.db2.gz FHHSEYDLCFXSOH-IRXDYDNUSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761220 687697401 /nfs/dbraw/zinc/69/74/01/687697401.db2.gz HZGBMZNREPUXQM-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016931964 687736374 /nfs/dbraw/zinc/73/63/74/687736374.db2.gz ZFHLVXGCKUGULX-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001018851849 688243776 /nfs/dbraw/zinc/24/37/76/688243776.db2.gz WFZJVMXSLWDKHR-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000930556128 694188727 /nfs/dbraw/zinc/18/87/27/694188727.db2.gz SECZEENCLOXQDZ-LJQANCHMSA-N 2 0 311.429 2.024 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001032520974 689175559 /nfs/dbraw/zinc/17/55/59/689175559.db2.gz PDYBKGDPJONFMG-IRXDYDNUSA-N 2 0 310.401 2.199 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034394578 689833258 /nfs/dbraw/zinc/83/32/58/689833258.db2.gz PJTGJBIYELLQNX-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000876523700 689846425 /nfs/dbraw/zinc/84/64/25/689846425.db2.gz BIWSFXQBBXHSNU-GJZGRUSLSA-N 2 0 309.841 2.396 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034436712 689849774 /nfs/dbraw/zinc/84/97/74/689849774.db2.gz BETULQFOZQIIIK-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000876711750 689912011 /nfs/dbraw/zinc/91/20/11/689912011.db2.gz DUSAUFQFEKWMCR-INIZCTEOSA-N 2 0 321.852 2.369 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001034642546 689917282 /nfs/dbraw/zinc/91/72/82/689917282.db2.gz HCCCGNFFDQRSKP-QAETUUGQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000876876703 689961607 /nfs/dbraw/zinc/96/16/07/689961607.db2.gz IWDXPMCSBSRGGK-CQSZACIVSA-N 2 0 301.862 2.179 20 30 DEEDRP C=CC[C@]1(C(=O)NCCC2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000877200915 690043947 /nfs/dbraw/zinc/04/39/47/690043947.db2.gz RPROYZMLKAFQKN-GOSISDBHSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035196580 690056465 /nfs/dbraw/zinc/05/64/65/690056465.db2.gz PDWFWDHFCBDZMU-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035823765 690185604 /nfs/dbraw/zinc/18/56/04/690185604.db2.gz LSCUHUXGXCICCQ-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035857602 690194966 /nfs/dbraw/zinc/19/49/66/690194966.db2.gz XSEWAPONFDYQEI-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250094 690758001 /nfs/dbraw/zinc/75/80/01/690758001.db2.gz YKBBFDAFJSNNSS-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038818049 690932989 /nfs/dbraw/zinc/93/29/89/690932989.db2.gz KVLAXOQSXSQVFM-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038908878 690963429 /nfs/dbraw/zinc/96/34/29/690963429.db2.gz NVXZQGLGBTYUCL-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040208687 691213498 /nfs/dbraw/zinc/21/34/98/691213498.db2.gz BDWHRAFVMQETTL-ZHALLVOQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041297103 691357762 /nfs/dbraw/zinc/35/77/62/691357762.db2.gz MIRVWMPKQASABP-ZHALLVOQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644466 691405034 /nfs/dbraw/zinc/40/50/34/691405034.db2.gz CVDLGYCPAVOTEI-MJGOQNOKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042157595 691525245 /nfs/dbraw/zinc/52/52/45/691525245.db2.gz SIRZHXMQWKHEJL-YOEHRIQHSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216152 691538192 /nfs/dbraw/zinc/53/81/92/691538192.db2.gz MKXDCZLDRTWVRK-WMZOPIPTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042254197 691549683 /nfs/dbraw/zinc/54/96/83/691549683.db2.gz IXEXKPDMRKXDOL-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042254198 691549799 /nfs/dbraw/zinc/54/97/99/691549799.db2.gz IXEXKPDMRKXDOL-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288889 691558205 /nfs/dbraw/zinc/55/82/05/691558205.db2.gz WIZWOEZZGPJEKH-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046315236 692149035 /nfs/dbraw/zinc/14/90/35/692149035.db2.gz IJIOZXWHHJNBDN-FUHWJXTLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369131 692168209 /nfs/dbraw/zinc/16/82/09/692168209.db2.gz POROFRDAGIQUHM-AEFFLSMTSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001048531781 692641393 /nfs/dbraw/zinc/64/13/93/692641393.db2.gz DDGLZXHXBQACNL-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001048538209 692641758 /nfs/dbraw/zinc/64/17/58/692641758.db2.gz MGRZLILDSSHZOE-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001048584759 692653794 /nfs/dbraw/zinc/65/37/94/692653794.db2.gz ABKJUTSOYLDNRZ-ZMMAXQRCSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671195 692961276 /nfs/dbraw/zinc/96/12/76/692961276.db2.gz IZAREKSUMCOUDJ-XSLAGTTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719844 692974553 /nfs/dbraw/zinc/97/45/53/692974553.db2.gz UIOMYZFTRCGXMT-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924690047 693171865 /nfs/dbraw/zinc/17/18/65/693171865.db2.gz MQCYYNDFDNSLLS-HNNXBMFYSA-N 2 0 315.465 2.251 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664652 693227286 /nfs/dbraw/zinc/22/72/86/693227286.db2.gz PJAMVQCFOHAGPQ-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925816969 693347108 /nfs/dbraw/zinc/34/71/08/693347108.db2.gz KJBZJHNOHPZTEA-MOPGFXCFSA-N 2 0 312.461 2.264 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378175 693518836 /nfs/dbraw/zinc/51/88/36/693518836.db2.gz SQYQBBMPUGKPMP-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393495 693523403 /nfs/dbraw/zinc/52/34/03/693523403.db2.gz MCULXAJHBCNTEP-QLFBSQMISA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487482 693545824 /nfs/dbraw/zinc/54/58/24/693545824.db2.gz YTZITECNYYGGPT-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619880 693580522 /nfs/dbraw/zinc/58/05/22/693580522.db2.gz JXYSKVWMIONBBR-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651856 693589351 /nfs/dbraw/zinc/58/93/51/693589351.db2.gz NVIFSNOHCRUWQY-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001403032681 1162642980 /nfs/dbraw/zinc/64/29/80/1162642980.db2.gz QSVBGSKIGMDDKI-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001373854242 1157409694 /nfs/dbraw/zinc/40/96/94/1157409694.db2.gz MEIALPQHUBQRSN-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001373961282 1157498921 /nfs/dbraw/zinc/49/89/21/1157498921.db2.gz YOUMMEXCHPUHKR-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)[NH+](C)C ZINC001417816515 1167232019 /nfs/dbraw/zinc/23/20/19/1167232019.db2.gz XUFUDDLWCRERMH-SNPRPXQTSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001424210718 1173701758 /nfs/dbraw/zinc/70/17/58/1173701758.db2.gz LPWLNRSJFCYGEH-OKILXGFUSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001437096157 1179401145 /nfs/dbraw/zinc/40/11/45/1179401145.db2.gz WKZCYEXQAQLTSL-UHFFFAOYSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001442842516 1182741859 /nfs/dbraw/zinc/74/18/59/1182741859.db2.gz HGYRBMLKVDXBMY-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001444825505 1183574314 /nfs/dbraw/zinc/57/43/14/1183574314.db2.gz JRKGMNBIGQMPIT-DZGCQCFKSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072850502 790273155 /nfs/dbraw/zinc/27/31/55/790273155.db2.gz ZWRGCEQQFYWAAJ-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C#CC[N@@H+](C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001332720619 1149884109 /nfs/dbraw/zinc/88/41/09/1149884109.db2.gz UBTDVMYNOSDVOM-UHFFFAOYSA-N 2 0 321.509 2.301 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001333151696 1150008525 /nfs/dbraw/zinc/00/85/25/1150008525.db2.gz BJTWPWGYCFYCFQ-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234370 782788592 /nfs/dbraw/zinc/78/85/92/782788592.db2.gz IUKMJZYCOZIUFF-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073098550 790451756 /nfs/dbraw/zinc/45/17/56/790451756.db2.gz GBPRMJWDIQUSMJ-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388159 777231607 /nfs/dbraw/zinc/23/16/07/777231607.db2.gz JCSOTTSZAIDHTE-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573138 777917610 /nfs/dbraw/zinc/91/76/10/777917610.db2.gz JAYAEJHBQMNYAO-KURKYZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104640852 777990127 /nfs/dbraw/zinc/99/01/27/777990127.db2.gz ACZQQPCSUGKXON-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2)C[C@H]1C ZINC001104738493 778055193 /nfs/dbraw/zinc/05/51/93/778055193.db2.gz XUNVFJDSAFHMSJ-IXDOHACOSA-N 2 0 318.465 2.485 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014729 778298455 /nfs/dbraw/zinc/29/84/55/778298455.db2.gz ZEDSOBNWGRWHCW-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573806 779358274 /nfs/dbraw/zinc/35/82/74/779358274.db2.gz FWCXHBWZENEZAT-FGTMMUONSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396990 779738665 /nfs/dbraw/zinc/73/86/65/779738665.db2.gz UUFWWJJLQCZTRG-AOIWGVFYSA-N 2 0 321.509 2.319 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168301757 780815846 /nfs/dbraw/zinc/81/58/46/780815846.db2.gz CIMOHAMIYZJPBL-UHFFFAOYSA-N 2 0 315.461 2.424 20 30 DEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001171181594 790903941 /nfs/dbraw/zinc/90/39/41/790903941.db2.gz MZMQZHWMWVLNQJ-MRXNPFEDSA-N 2 0 314.477 2.105 20 30 DEEDRP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616525 783282395 /nfs/dbraw/zinc/28/23/95/783282395.db2.gz JHZSJWDVAVTKHV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085352414 783647062 /nfs/dbraw/zinc/64/70/62/783647062.db2.gz GNMFAJBKSPKFBX-BRWVUGGUSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085352415 783648706 /nfs/dbraw/zinc/64/87/06/783648706.db2.gz GNMFAJBKSPKFBX-ZACQAIPSSA-N 2 0 307.482 2.452 20 30 DEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001171201698 790968387 /nfs/dbraw/zinc/96/83/87/790968387.db2.gz QCSBSRVQXWJDFX-HNNXBMFYSA-N 2 0 313.445 2.190 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629051 783904406 /nfs/dbraw/zinc/90/44/06/783904406.db2.gz KRVKCCNSHSYSKC-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639221 783915732 /nfs/dbraw/zinc/91/57/32/783915732.db2.gz KVEIOCANFYTRJC-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724467 784020138 /nfs/dbraw/zinc/02/01/38/784020138.db2.gz WSARGVAFDBHKLQ-KRWDZBQOSA-N 2 0 312.417 2.447 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968855779 784621099 /nfs/dbraw/zinc/62/10/99/784621099.db2.gz AHHZILIVDMBILG-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968855819 784621441 /nfs/dbraw/zinc/62/14/41/784621441.db2.gz AQIYTSONVZAWCD-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882749 784636734 /nfs/dbraw/zinc/63/67/34/784636734.db2.gz TYSOAXHPPYNLHO-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000968928582 784657246 /nfs/dbraw/zinc/65/72/46/784657246.db2.gz OYHHSSVDPDCXCV-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413560 784692366 /nfs/dbraw/zinc/69/23/66/784692366.db2.gz MMVDKIURUHHPOQ-ULQDDVLXSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007498322 784937704 /nfs/dbraw/zinc/93/77/04/784937704.db2.gz ZVTOJGFGLUOZTD-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008054479 785091103 /nfs/dbraw/zinc/09/11/03/785091103.db2.gz ZFANVTZGQKJEHW-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008767701 785298467 /nfs/dbraw/zinc/29/84/67/785298467.db2.gz KIKMSRRQUIXJCP-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586053 786164161 /nfs/dbraw/zinc/16/41/61/786164161.db2.gz FGPMBEBMGMLNFE-WMZOPIPTSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113642670 786741303 /nfs/dbraw/zinc/74/13/03/786741303.db2.gz DHYQZZCCVMEHBX-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101220 787134982 /nfs/dbraw/zinc/13/49/82/787134982.db2.gz FNOVQQOCNZTZGM-BDXSIMOUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096308871 787606920 /nfs/dbraw/zinc/60/69/20/787606920.db2.gz BOALLSQFCUFXEQ-SQNIBIBYSA-N 2 0 317.477 2.016 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210587 787965120 /nfs/dbraw/zinc/96/51/20/787965120.db2.gz IGQZGBDGOYGNCQ-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524507 788114334 /nfs/dbraw/zinc/11/43/34/788114334.db2.gz IEPJJABKMHEOQV-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097695291 788183071 /nfs/dbraw/zinc/18/30/71/788183071.db2.gz VVTXBKYAGCUDJZ-VQHPVUNQSA-N 2 0 305.466 2.016 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132972650 788239958 /nfs/dbraw/zinc/23/99/58/788239958.db2.gz DDIBVQNYWKPUDT-WBVHZDCISA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064877 788270965 /nfs/dbraw/zinc/27/09/65/788270965.db2.gz QNAGQDCBIAKTES-ZBFHGGJFSA-N 2 0 319.449 2.215 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133121290 788288144 /nfs/dbraw/zinc/28/81/44/788288144.db2.gz GBHOMZNMPVSPTR-IRXDYDNUSA-N 2 0 321.509 2.062 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133253962 788342215 /nfs/dbraw/zinc/34/22/15/788342215.db2.gz NMJSHGQCBOGEGV-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133309979 788357617 /nfs/dbraw/zinc/35/76/17/788357617.db2.gz JZUBEINFAWOZIX-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170784776 789168549 /nfs/dbraw/zinc/16/85/49/789168549.db2.gz LCEVNWJYPPLMOV-HNNXBMFYSA-N 2 0 315.889 2.489 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103179 789199667 /nfs/dbraw/zinc/19/96/67/789199667.db2.gz XJZNNYKNFOUHGE-IRXDYDNUSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735528 789897002 /nfs/dbraw/zinc/89/70/02/789897002.db2.gz NMVHREUMOFFNDJ-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@@H]3CCC[NH2+]3)cc2)cc1 ZINC001171257197 791165423 /nfs/dbraw/zinc/16/54/23/791165423.db2.gz UJNPVKKCLOHLGT-INIZCTEOSA-N 2 0 308.385 2.247 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC)CC1 ZINC001146608692 791322521 /nfs/dbraw/zinc/32/25/21/791322521.db2.gz AQAHAFIBFQHBAM-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985454 791666810 /nfs/dbraw/zinc/66/68/10/791666810.db2.gz HPAHAWIVTTZFCY-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171327780 791721249 /nfs/dbraw/zinc/72/12/49/791721249.db2.gz DPVRHFRPTMBTRT-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737939 791784227 /nfs/dbraw/zinc/78/42/27/791784227.db2.gz KVXPXSCAMGXUML-AOIWGVFYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742712 791790431 /nfs/dbraw/zinc/79/04/31/791790431.db2.gz GDOTULONEFUDLX-APWZRJJASA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086941777 791857134 /nfs/dbraw/zinc/85/71/34/791857134.db2.gz BGESGKNTWOHDEK-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001092658366 792103967 /nfs/dbraw/zinc/10/39/67/792103967.db2.gz RICZVDYHIIYTEZ-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001092658091 792104450 /nfs/dbraw/zinc/10/44/50/792104450.db2.gz HDEGIBXQTCKORQ-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467879 792111728 /nfs/dbraw/zinc/11/17/28/792111728.db2.gz ZOUUNJAVCXSEQQ-ZJPYXAASSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001092906990 792168496 /nfs/dbraw/zinc/16/84/96/792168496.db2.gz OPEGEFVFKGMZJK-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001100855164 792882272 /nfs/dbraw/zinc/88/22/72/792882272.db2.gz TVKWXIILJYETLS-KVWWFHCMSA-N 2 0 315.461 2.134 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342928 793129263 /nfs/dbraw/zinc/12/92/63/793129263.db2.gz VCQNMWBYMXEQFO-AEFFLSMTSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090837 793501816 /nfs/dbraw/zinc/50/18/16/793501816.db2.gz GZKDDJPECHGJLQ-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001095064828 793635670 /nfs/dbraw/zinc/63/56/70/793635670.db2.gz OWUJMAOPANGJIR-ULQDDVLXSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578220 793661963 /nfs/dbraw/zinc/66/19/63/793661963.db2.gz QXKDSTFLPIIJRN-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598225 794156127 /nfs/dbraw/zinc/15/61/27/794156127.db2.gz ABUZJVCUKLPXGX-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004589 794542738 /nfs/dbraw/zinc/54/27/38/794542738.db2.gz KIHLJHUVONVUTD-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001112380465 794617475 /nfs/dbraw/zinc/61/74/75/794617475.db2.gz JEJCBWMYYOPWIH-SCTDSRPQSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCCC1 ZINC001115611540 794841448 /nfs/dbraw/zinc/84/14/48/794841448.db2.gz MPBWMPJOISLKPM-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730730 794899702 /nfs/dbraw/zinc/89/97/02/794899702.db2.gz RAHWCOBFTAYJFY-UHFFFAOYSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878381 795017996 /nfs/dbraw/zinc/01/79/96/795017996.db2.gz SLUYRHVZLYPHPH-BBWFWOEESA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001179564956 795131995 /nfs/dbraw/zinc/13/19/95/795131995.db2.gz LIHZZSCXDCXJHN-QGZVFWFLSA-N 2 0 309.498 2.396 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272977 795268952 /nfs/dbraw/zinc/26/89/52/795268952.db2.gz RJRTXJVCBZUCLI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440631 795460654 /nfs/dbraw/zinc/46/06/54/795460654.db2.gz QBVBEGJRMOQQCW-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181671483 795518127 /nfs/dbraw/zinc/51/81/27/795518127.db2.gz OLZYLQAOHMJXLH-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001181977610 795570782 /nfs/dbraw/zinc/57/07/82/795570782.db2.gz XRYIZHOCYVOAJI-ZIFCJYIRSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121301957 795614561 /nfs/dbraw/zinc/61/45/61/795614561.db2.gz ILZGETJQTMOGOY-SWAPUOLTSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121768078 795685176 /nfs/dbraw/zinc/68/51/76/795685176.db2.gz YOLHOXQQWPIAMD-KZIPQDEESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182479470 795689543 /nfs/dbraw/zinc/68/95/43/795689543.db2.gz DABWWSWCSXOLDA-SOLBZPMBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC001121909712 795703555 /nfs/dbraw/zinc/70/35/55/795703555.db2.gz ZANUKXNTOANBPX-IKGGRYGDSA-N 2 0 307.482 2.319 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183200978 795830813 /nfs/dbraw/zinc/83/08/13/795830813.db2.gz UDFFDFFGESQTHI-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184577884 796087095 /nfs/dbraw/zinc/08/70/95/796087095.db2.gz QAODRMKOCOXLMI-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184726164 796116259 /nfs/dbraw/zinc/11/62/59/796116259.db2.gz VEMKLJGEXDLLOK-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184737084 796117983 /nfs/dbraw/zinc/11/79/83/796117983.db2.gz YFIFZMTUVIXSRS-DOTOQJQBSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185528162 796278364 /nfs/dbraw/zinc/27/83/64/796278364.db2.gz YAXWRDSMOFHAPP-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185549641 796280457 /nfs/dbraw/zinc/28/04/57/796280457.db2.gz QTLCDHDAYPPEHT-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185549643 796280488 /nfs/dbraw/zinc/28/04/88/796280488.db2.gz QTLCDHDAYPPEHT-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185535432 796286639 /nfs/dbraw/zinc/28/66/39/796286639.db2.gz DRTQTNIOZHVDFZ-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082722 796357290 /nfs/dbraw/zinc/35/72/90/796357290.db2.gz NVOWFTAQPSOXJB-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001202946856 796395274 /nfs/dbraw/zinc/39/52/74/796395274.db2.gz BMCJUGDXVYROJT-UHFFFAOYSA-N 2 0 324.856 2.305 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187894813 796594609 /nfs/dbraw/zinc/59/46/09/796594609.db2.gz MWJCWHIJDHNTNJ-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443947 796997764 /nfs/dbraw/zinc/99/77/64/796997764.db2.gz LXVYOJFMXAWWDC-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646140 797047507 /nfs/dbraw/zinc/04/75/07/797047507.db2.gz XWRBNEPWLXAMIV-JKSUJKDBSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190742183 797066257 /nfs/dbraw/zinc/06/62/57/797066257.db2.gz BNAZBMNSBNMIOF-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191080607 797134293 /nfs/dbraw/zinc/13/42/93/797134293.db2.gz JQHHDHZFJUIQGN-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191923258 797285643 /nfs/dbraw/zinc/28/56/43/797285643.db2.gz RUXLIRQIBHGJLT-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134231 797325165 /nfs/dbraw/zinc/32/51/65/797325165.db2.gz HVKMOFCJYCPVPB-WBVHZDCISA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153677422 797375332 /nfs/dbraw/zinc/37/53/32/797375332.db2.gz CPWMFWHPBOBZGE-HUUCEWRRSA-N 2 0 301.450 2.069 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193205746 797521231 /nfs/dbraw/zinc/52/12/31/797521231.db2.gz VWFNTTJGOMDLBH-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP CSc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1C#N ZINC001205627585 797538682 /nfs/dbraw/zinc/53/86/82/797538682.db2.gz QXQVFGPOIXQZAY-STQMWFEESA-N 2 0 304.463 2.482 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382801 797556054 /nfs/dbraw/zinc/55/60/54/797556054.db2.gz MUTMAOHHWWZQHJ-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197817899 798247601 /nfs/dbraw/zinc/24/76/01/798247601.db2.gz SXRGUJSCGSEPQR-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001158164773 798352901 /nfs/dbraw/zinc/35/29/01/798352901.db2.gz OMOOUPHVQXXBLF-QGZVFWFLSA-N 2 0 324.428 2.202 20 30 DEEDRP C=CCOc1cccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC001199170131 798448008 /nfs/dbraw/zinc/44/80/08/798448008.db2.gz AZAURKCKVVKLGO-UHFFFAOYSA-N 2 0 317.477 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200508348 798642909 /nfs/dbraw/zinc/64/29/09/798642909.db2.gz ZZAFCTAYJCNQEP-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001200894918 798688093 /nfs/dbraw/zinc/68/80/93/798688093.db2.gz YYFQXNPKTQYPIS-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161207762 798810090 /nfs/dbraw/zinc/81/00/90/798810090.db2.gz VXRBKFDNQPUZAF-INIZCTEOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207429 798810822 /nfs/dbraw/zinc/81/08/22/798810822.db2.gz UDHNQSDUHYOFLH-FUHWJXTLSA-N 2 0 319.493 2.289 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491777 798869608 /nfs/dbraw/zinc/86/96/08/798869608.db2.gz ONDYBTYWOXUKLF-SFHVURJKSA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161862741 798951862 /nfs/dbraw/zinc/95/18/62/798951862.db2.gz JGVGOPDYUNFQPR-FUHWJXTLSA-N 2 0 319.493 2.431 20 30 DEEDRP 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 799650932 /nfs/dbraw/zinc/65/09/32/799650932.db2.gz WNAJWHUKQOZWRX-YVSFHVDLSA-N 2 0 305.466 2.157 20 30 DEEDRP 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 799688742 /nfs/dbraw/zinc/68/87/42/799688742.db2.gz UFWWTLOMHPSUJM-OWSLCNJRSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728835 799766036 /nfs/dbraw/zinc/76/60/36/799766036.db2.gz VOTGYUHRFQWWHO-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166545864 799887250 /nfs/dbraw/zinc/88/72/50/799887250.db2.gz RFMCZVMUMQIGRD-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203312882 800035391 /nfs/dbraw/zinc/03/53/91/800035391.db2.gz KBJTWDHXVVRQDV-GOSISDBHSA-N 2 0 315.461 2.446 20 30 DEEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427029 800045560 /nfs/dbraw/zinc/04/55/60/800045560.db2.gz SDMPQNXLRDACMP-HZPDHXFCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576883 800084701 /nfs/dbraw/zinc/08/47/01/800084701.db2.gz KOXORTZDYGABDP-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001203853277 800133450 /nfs/dbraw/zinc/13/34/50/800133450.db2.gz PPBFIJJILQKMBC-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206275715 800501025 /nfs/dbraw/zinc/50/10/25/800501025.db2.gz ZHPQHOSCHXKEJE-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001206857372 800607417 /nfs/dbraw/zinc/60/74/17/800607417.db2.gz KUVRKTCWOCFPPL-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952278 800640386 /nfs/dbraw/zinc/64/03/86/800640386.db2.gz HTRLKMAIYAULST-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206960142 800641507 /nfs/dbraw/zinc/64/15/07/800641507.db2.gz UZASKTLILONLHT-ZACQAIPSSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545165 800775563 /nfs/dbraw/zinc/77/55/63/800775563.db2.gz IMPKIUZVWDTWOB-BZUAXINKSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014130 800892181 /nfs/dbraw/zinc/89/21/81/800892181.db2.gz MNHRWSXDEURJPM-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073186 800905501 /nfs/dbraw/zinc/90/55/01/800905501.db2.gz DWWVEUCTSROSOO-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208115708 800915307 /nfs/dbraw/zinc/91/53/07/800915307.db2.gz KMZVSSPQHHKUER-HNNXBMFYSA-N 2 0 309.454 2.095 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331604 800956732 /nfs/dbraw/zinc/95/67/32/800956732.db2.gz UWUOBZQSNDYRSR-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565557 801220915 /nfs/dbraw/zinc/22/09/15/801220915.db2.gz BCAMTVGFJPCCQU-ZACQAIPSSA-N 2 0 309.498 2.365 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001230016446 801348020 /nfs/dbraw/zinc/34/80/20/801348020.db2.gz OARBZJMDYIWDNR-UHFFFAOYSA-N 2 0 321.509 2.493 20 30 DEEDRP N#Cc1c(F)cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1F ZINC001210271357 801366509 /nfs/dbraw/zinc/36/65/09/801366509.db2.gz OUESAUKFYNVYQN-UHFFFAOYSA-N 2 0 315.327 2.385 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780069 801758637 /nfs/dbraw/zinc/75/86/37/801758637.db2.gz JLSNBNDDBAZCDP-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845477 801765644 /nfs/dbraw/zinc/76/56/44/801765644.db2.gz VWHUXMRBNKKCOW-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415733 801857673 /nfs/dbraw/zinc/85/76/73/801857673.db2.gz JVUDZTSSDKWGBQ-BZUAXINKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773864 801903712 /nfs/dbraw/zinc/90/37/12/801903712.db2.gz BAGFFEVQSNKDIF-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215978207 801923392 /nfs/dbraw/zinc/92/33/92/801923392.db2.gz YZMKZCUELCSSLM-BRWVUGGUSA-N 2 0 309.498 2.365 20 30 DEEDRP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])CCCC[NH3+])nc1 ZINC001219422987 802326225 /nfs/dbraw/zinc/32/62/25/802326225.db2.gz SXMWQWXUSUBIAB-HNNXBMFYSA-N 2 0 323.400 2.015 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001221594795 802595455 /nfs/dbraw/zinc/59/54/55/802595455.db2.gz CJHNGRDRBWZQOL-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712038 802606127 /nfs/dbraw/zinc/60/61/27/802606127.db2.gz MLGGCKFITDXQIV-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046806 802635999 /nfs/dbraw/zinc/63/59/99/802635999.db2.gz WWUQLEJPJCDANA-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001223928678 802823541 /nfs/dbraw/zinc/82/35/41/802823541.db2.gz HCADJMRQKLTNJM-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929480 802823568 /nfs/dbraw/zinc/82/35/68/802823568.db2.gz XSQJGGQBGCGEDQ-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225464898 802970310 /nfs/dbraw/zinc/97/03/10/802970310.db2.gz QJNDCGTUQVTDTP-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239052 803333559 /nfs/dbraw/zinc/33/35/59/803333559.db2.gz NQHDXZQCYDQUGU-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001330945760 1149342198 /nfs/dbraw/zinc/34/21/98/1149342198.db2.gz JZWZJXDGJNKTJX-INIZCTEOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001370316036 1149527290 /nfs/dbraw/zinc/52/72/90/1149527290.db2.gz CMOSJYITXXFZNF-LSDHHAIUSA-N 2 0 315.889 2.250 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001328766720 1148833565 /nfs/dbraw/zinc/83/35/65/1148833565.db2.gz TVMMBHGGAAEYRZ-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001499955171 1058399978 /nfs/dbraw/zinc/39/99/78/1058399978.db2.gz OIZCMQBCMNCLNV-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001501240622 1059400654 /nfs/dbraw/zinc/40/06/54/1059400654.db2.gz PDLGXYCSLCBPKJ-KURKYZTESA-N 2 0 321.509 2.463 20 30 DEEDRP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001502406728 1060116536 /nfs/dbraw/zinc/11/65/36/1060116536.db2.gz QZWJRKAVAYKAOT-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001505781288 1060956933 /nfs/dbraw/zinc/95/69/33/1060956933.db2.gz ZGYMADXCOZCWDL-DAWZGUTISA-N 2 0 319.493 2.242 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001506176797 1061713069 /nfs/dbraw/zinc/71/30/69/1061713069.db2.gz IDNAVZXYTGPTHQ-QZTJIDSGSA-N 2 0 321.509 2.345 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001479994209 1062157349 /nfs/dbraw/zinc/15/73/49/1062157349.db2.gz HFWGLEFXSXLSLN-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001506625670 1062206614 /nfs/dbraw/zinc/20/66/14/1062206614.db2.gz FKXICPRVXDZCCI-CABCVRRESA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001480102945 1062332863 /nfs/dbraw/zinc/33/28/63/1062332863.db2.gz UAFVFQNUVBBAON-CALCHBBNSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001506885815 1062471905 /nfs/dbraw/zinc/47/19/05/1062471905.db2.gz CFHCPUIVFHHTBX-BFYDXBDKSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001506892452 1062478376 /nfs/dbraw/zinc/47/83/76/1062478376.db2.gz URWMABOXCZKIAJ-JFIYKMOQSA-N 2 0 319.493 2.454 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506940165 1062559661 /nfs/dbraw/zinc/55/96/61/1062559661.db2.gz HDADZVMYBALSQU-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001480268261 1062568542 /nfs/dbraw/zinc/56/85/42/1062568542.db2.gz IUTAMDLXJYHAII-HKUYNNGSSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480301890 1062609349 /nfs/dbraw/zinc/60/93/49/1062609349.db2.gz BFFHJFMSZLMWKB-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)N(C)C ZINC001480368515 1062724591 /nfs/dbraw/zinc/72/45/91/1062724591.db2.gz ZEWBRNUWXLCFLP-MSOLQXFVSA-N 2 0 315.461 2.446 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480385895 1062771933 /nfs/dbraw/zinc/77/19/33/1062771933.db2.gz FSPJMRHLBOXTFB-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001507145128 1062912605 /nfs/dbraw/zinc/91/26/05/1062912605.db2.gz WZDZTIWZJAYYKC-WMZOPIPTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001507326531 1063101742 /nfs/dbraw/zinc/10/17/42/1063101742.db2.gz VDYKPEXRQBPZOA-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480785799 1063341325 /nfs/dbraw/zinc/34/13/25/1063341325.db2.gz IXFMSEPRXIZJPZ-SJLPKXTDSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493157703 1063609063 /nfs/dbraw/zinc/60/90/63/1063609063.db2.gz AECBPWJVDOKJIB-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](CCNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001493373442 1063753051 /nfs/dbraw/zinc/75/30/51/1063753051.db2.gz DPDHRBNRDZGFOX-UHFFFAOYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001494214458 1064177761 /nfs/dbraw/zinc/17/77/61/1064177761.db2.gz WMEOLMTVLRNULO-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001567625329 1064287122 /nfs/dbraw/zinc/28/71/22/1064287122.db2.gz SJTZRPQKHLLXGZ-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001567625330 1064287571 /nfs/dbraw/zinc/28/75/71/1064287571.db2.gz SJTZRPQKHLLXGZ-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567812233 1064435607 /nfs/dbraw/zinc/43/56/07/1064435607.db2.gz ZMRKSPPXJMAMDK-OAHLLOKOSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001495268554 1064797575 /nfs/dbraw/zinc/79/75/75/1064797575.db2.gz UDMPRDUBQVYOES-FUHWJXTLSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001495283114 1064807799 /nfs/dbraw/zinc/80/77/99/1064807799.db2.gz WBYCPIPUNPHHSG-LPHOPBHVSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001568379730 1064823921 /nfs/dbraw/zinc/82/39/21/1064823921.db2.gz VKCQVXYULXAWOJ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001495393975 1064877598 /nfs/dbraw/zinc/87/75/98/1064877598.db2.gz SIRIUKJYECNHLC-SFHVURJKSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001568487734 1064905350 /nfs/dbraw/zinc/90/53/50/1064905350.db2.gz NIJHPHSNFYVSRX-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001495492953 1064943099 /nfs/dbraw/zinc/94/30/99/1064943099.db2.gz YEKJTERNNHUBQA-UHFFFAOYSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001568794169 1065122419 /nfs/dbraw/zinc/12/24/19/1065122419.db2.gz OAWFRWWXLMYMLY-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCCC1 ZINC001495962990 1065198265 /nfs/dbraw/zinc/19/82/65/1065198265.db2.gz PEZLRSPCBKDDNI-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001496326748 1065409308 /nfs/dbraw/zinc/40/93/08/1065409308.db2.gz OTUQPSKNXIZKIY-AEFFLSMTSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001569321522 1065427855 /nfs/dbraw/zinc/42/78/55/1065427855.db2.gz QMCFXTKFPDPZTM-DLBZAZTESA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001496425151 1065463318 /nfs/dbraw/zinc/46/33/18/1065463318.db2.gz CILFNLKXLOFQIS-OAHLLOKOSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569379632 1065476766 /nfs/dbraw/zinc/47/67/66/1065476766.db2.gz FEWFVVJXYBITBR-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001569400278 1065490542 /nfs/dbraw/zinc/49/05/42/1065490542.db2.gz KQKCEVWLHAZHSY-HZPDHXFCSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001569426507 1065502680 /nfs/dbraw/zinc/50/26/80/1065502680.db2.gz UWWBOTLOYLVJPZ-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001496706025 1065660622 /nfs/dbraw/zinc/66/06/22/1065660622.db2.gz YWQLJVQNLDUSEH-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001569700085 1065678877 /nfs/dbraw/zinc/67/88/77/1065678877.db2.gz OBHQWPFRVOGFHI-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496842142 1065748109 /nfs/dbraw/zinc/74/81/09/1065748109.db2.gz UFWNWTLSJRGTDN-UHFFFAOYSA-N 2 0 303.450 2.328 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001496890121 1065779680 /nfs/dbraw/zinc/77/96/80/1065779680.db2.gz JLSOYEJIKVWWRC-SJORKVTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569909899 1065811014 /nfs/dbraw/zinc/81/10/14/1065811014.db2.gz KATRUALQNYKFKA-TVFCKZIOSA-N 2 0 319.493 2.358 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001570107069 1065927101 /nfs/dbraw/zinc/92/71/01/1065927101.db2.gz UCAIDUDSWGHBGG-QGZVFWFLSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)CCn2ccnc2)CC1 ZINC001570257982 1065993925 /nfs/dbraw/zinc/99/39/25/1065993925.db2.gz RCPXNJFNSZTHQI-UHFFFAOYSA-N 2 0 304.438 2.210 20 30 DEEDRP CC(C)(C[NH3+])C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001575315719 1066261271 /nfs/dbraw/zinc/26/12/71/1066261271.db2.gz WSQAPYUUXAVJRD-UHFFFAOYSA-N 2 0 300.450 2.097 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499574065 1067265213 /nfs/dbraw/zinc/26/52/13/1067265213.db2.gz MKNZEJKAGUXZST-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483438907 1078534545 /nfs/dbraw/zinc/53/45/45/1078534545.db2.gz VXWNAQBHSNZIOG-IRXDYDNUSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267061145 1078537198 /nfs/dbraw/zinc/53/71/98/1078537198.db2.gz IHCJQYWCWAVYHS-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001570574545 1068016076 /nfs/dbraw/zinc/01/60/76/1068016076.db2.gz SBAIFCVJNKIYBR-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001570667274 1068061544 /nfs/dbraw/zinc/06/15/44/1068061544.db2.gz BMFXDQYCHFKKEA-DAWZGUTISA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001571365466 1068251784 /nfs/dbraw/zinc/25/17/84/1068251784.db2.gz VZBIYBQFYQEJPH-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267273209 1078720058 /nfs/dbraw/zinc/72/00/58/1078720058.db2.gz CLMHTOMOFQPOLC-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001267334868 1078773655 /nfs/dbraw/zinc/77/36/55/1078773655.db2.gz TYPPQNZPXCZPML-QZTJIDSGSA-N 2 0 321.509 2.347 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001574756449 1069256341 /nfs/dbraw/zinc/25/63/41/1069256341.db2.gz ATZXLAFRKWRERR-IBGZPJMESA-N 2 0 311.429 2.072 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001542326520 1072456483 /nfs/dbraw/zinc/45/64/83/1072456483.db2.gz GMTFLERZEFVUPH-DOTOQJQBSA-N 2 0 301.434 2.056 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001483733665 1078914806 /nfs/dbraw/zinc/91/48/06/1078914806.db2.gz BBEBODKJGPIWAE-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC001544415681 1072533179 /nfs/dbraw/zinc/53/31/79/1072533179.db2.gz CTOZKXRFTANLAC-UHFFFAOYSA-N 2 0 303.450 2.262 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001267510501 1078940371 /nfs/dbraw/zinc/94/03/71/1078940371.db2.gz SCQUSQTTXVNADS-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001267520554 1078951170 /nfs/dbraw/zinc/95/11/70/1078951170.db2.gz MFUFJRFXGCAXGO-ZWKOTPCHSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267585592 1079089512 /nfs/dbraw/zinc/08/95/12/1079089512.db2.gz YKSGXDHVITXGOT-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001484021837 1079247205 /nfs/dbraw/zinc/24/72/05/1079247205.db2.gz GPTRQQXOROHQFX-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001646806189 1074627471 /nfs/dbraw/zinc/62/74/71/1074627471.db2.gz MKFNRVMASYEIET-UKRRQHHQSA-N 2 0 313.873 2.085 20 30 DEEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001484100843 1079302825 /nfs/dbraw/zinc/30/28/25/1079302825.db2.gz OXNPOADZCJJURJ-LJQANCHMSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001565864305 1075200107 /nfs/dbraw/zinc/20/01/07/1075200107.db2.gz OGGSMCQLEWDPEX-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH2+]CCCCCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001566004786 1075215265 /nfs/dbraw/zinc/21/52/65/1075215265.db2.gz WOBQPTCBVWUUDF-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)CC#N ZINC001650051533 1079379955 /nfs/dbraw/zinc/37/99/55/1079379955.db2.gz FEAOHQKSZUEYIA-BFYDXBDKSA-N 2 0 301.434 2.007 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001566748501 1075334332 /nfs/dbraw/zinc/33/43/32/1075334332.db2.gz FIYWTBNFKBIXON-NCOADZHNSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001566755972 1075337170 /nfs/dbraw/zinc/33/71/70/1075337170.db2.gz YCZCVGCPZPLSGE-TVFCKZIOSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001566808918 1075350377 /nfs/dbraw/zinc/35/03/77/1075350377.db2.gz FSDBWRXHQRAIOV-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001566903390 1075379631 /nfs/dbraw/zinc/37/96/31/1075379631.db2.gz NLIRVYPRRSVWBF-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001566913234 1075383295 /nfs/dbraw/zinc/38/32/95/1075383295.db2.gz NTFWAFUSMXUAGG-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001566939436 1075393584 /nfs/dbraw/zinc/39/35/84/1075393584.db2.gz ANYHERRJSJZEMH-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054445 1075423864 /nfs/dbraw/zinc/42/38/64/1075423864.db2.gz RLELFCMBXCORKT-YOEHRIQHSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567167425 1075450758 /nfs/dbraw/zinc/45/07/58/1075450758.db2.gz OKNNHXDUBMAFCQ-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267764746 1079469029 /nfs/dbraw/zinc/46/90/29/1079469029.db2.gz YMDKGQXAZNYKSH-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1=CCCCC1 ZINC001329458731 1148897573 /nfs/dbraw/zinc/89/75/73/1148897573.db2.gz BOMMXSCOWJNEBJ-AEFFLSMTSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267911872 1079594812 /nfs/dbraw/zinc/59/48/12/1079594812.db2.gz GGDQUMDEKGHVEU-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001267922200 1079604064 /nfs/dbraw/zinc/60/40/64/1079604064.db2.gz WUYOPJLCCXBXAJ-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267948220 1079627599 /nfs/dbraw/zinc/62/75/99/1079627599.db2.gz WDAQBWPHBSUFRH-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001484563221 1079662485 /nfs/dbraw/zinc/66/24/85/1079662485.db2.gz LLKWYDTXFGFSKM-CRAIPNDOSA-N 2 0 315.461 2.173 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001481332734 1079727378 /nfs/dbraw/zinc/72/73/78/1079727378.db2.gz DILYLYSTJVEGOK-MAUKXSAKSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481436154 1079842818 /nfs/dbraw/zinc/84/28/18/1079842818.db2.gz YSNXHAMXGFNGGS-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001484937549 1079867673 /nfs/dbraw/zinc/86/76/73/1079867673.db2.gz PFOMTHZYMJYORZ-SJORKVTESA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481449283 1079869019 /nfs/dbraw/zinc/86/90/19/1079869019.db2.gz BQIJRPWUNKQOQW-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001485037221 1079932605 /nfs/dbraw/zinc/93/26/05/1079932605.db2.gz GKYODWGKQACCJM-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001485104594 1079983499 /nfs/dbraw/zinc/98/34/99/1079983499.db2.gz ANLCUKHLZPYREV-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001485251787 1080087906 /nfs/dbraw/zinc/08/79/06/1080087906.db2.gz NCEBEPQLIBEKJW-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001485242454 1080091579 /nfs/dbraw/zinc/09/15/79/1080091579.db2.gz FGGKEINJFYODOE-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001268138019 1080105327 /nfs/dbraw/zinc/10/53/27/1080105327.db2.gz OSHZCOLPMIBYPA-MSOLQXFVSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001268160890 1080138287 /nfs/dbraw/zinc/13/82/87/1080138287.db2.gz BUWGQGKHVVSSDL-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001656910169 1080138651 /nfs/dbraw/zinc/13/86/51/1080138651.db2.gz VULMXZVIPKFEOW-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001656979877 1080143881 /nfs/dbraw/zinc/14/38/81/1080143881.db2.gz SOJKNOJQEDKWGL-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001268173974 1080164435 /nfs/dbraw/zinc/16/44/35/1080164435.db2.gz GOOVSDKAPGCNCF-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001268174487 1080164545 /nfs/dbraw/zinc/16/45/45/1080164545.db2.gz RDMWEIASJPUZBQ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+](C)CCC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001268206374 1080191692 /nfs/dbraw/zinc/19/16/92/1080191692.db2.gz RDMIZHZQCJTTRN-UHFFFAOYSA-N 2 0 304.438 2.020 20 30 DEEDRP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1nccn1C ZINC001485479790 1080243439 /nfs/dbraw/zinc/24/34/39/1080243439.db2.gz HBHROZMKPIZSPG-INIZCTEOSA-N 2 0 318.465 2.290 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268286525 1080265139 /nfs/dbraw/zinc/26/51/39/1080265139.db2.gz KZVIJPOZYKZEHR-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268286522 1080265638 /nfs/dbraw/zinc/26/56/38/1080265638.db2.gz KZVIJPOZYKZEHR-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001485506828 1080267755 /nfs/dbraw/zinc/26/77/55/1080267755.db2.gz QXYYWFWJBAKKGK-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485570367 1080302591 /nfs/dbraw/zinc/30/25/91/1080302591.db2.gz BUMXYWRYAVDVAU-HUUCEWRRSA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001660408624 1080326767 /nfs/dbraw/zinc/32/67/67/1080326767.db2.gz LJPDKYLTIHLORL-UHFFFAOYSA-N 2 0 303.450 2.376 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494054520 1080372014 /nfs/dbraw/zinc/37/20/14/1080372014.db2.gz KMNPSTYBGUGCIQ-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001485785886 1080432733 /nfs/dbraw/zinc/43/27/33/1080432733.db2.gz NSFOMWBUSAKNTR-DLBZAZTESA-N 2 0 307.482 2.025 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485810145 1080449920 /nfs/dbraw/zinc/44/99/20/1080449920.db2.gz CIXJRTMTXZKTGM-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481773024 1080490161 /nfs/dbraw/zinc/49/01/61/1080490161.db2.gz NIARYGYUCFPDKM-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268458211 1080523177 /nfs/dbraw/zinc/52/31/77/1080523177.db2.gz HFDRCUFZPRVERL-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107033798 1080546935 /nfs/dbraw/zinc/54/69/35/1080546935.db2.gz AWBXBYIDKHXLIE-NVXWUHKLSA-N 2 0 315.461 2.232 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001662141831 1080573775 /nfs/dbraw/zinc/57/37/75/1080573775.db2.gz HMDXTPMCLBJOKJ-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]cn2)CC1 ZINC001482016353 1080689783 /nfs/dbraw/zinc/68/97/83/1080689783.db2.gz BCTRHXZIRJYDNE-JOCQHMNTSA-N 2 0 310.829 2.112 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001663067803 1080695559 /nfs/dbraw/zinc/69/55/59/1080695559.db2.gz XRLXYBCFLKWKNY-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001663124208 1080706562 /nfs/dbraw/zinc/70/65/62/1080706562.db2.gz UDVUMZBRVZDSGZ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001664457391 1080912427 /nfs/dbraw/zinc/91/24/27/1080912427.db2.gz NLVVUZOPUDKIEW-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664726243 1080949281 /nfs/dbraw/zinc/94/92/81/1080949281.db2.gz GUQRUIUJDZVJFV-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001665088966 1080989166 /nfs/dbraw/zinc/98/91/66/1080989166.db2.gz YOGGTAQVRYYJGC-ZWKOTPCHSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268965046 1081061131 /nfs/dbraw/zinc/06/11/31/1081061131.db2.gz HSIFBSMJWXZWBS-LUKYLMHMSA-N 2 0 307.482 2.212 20 30 DEEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001665871364 1081092000 /nfs/dbraw/zinc/09/20/00/1081092000.db2.gz HHCDZCKMTZUHSN-ZWKOTPCHSA-N 2 0 315.461 2.187 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001666347555 1081147066 /nfs/dbraw/zinc/14/70/66/1081147066.db2.gz NOPQZBIOZWNMBJ-IBGZPJMESA-N 2 0 313.445 2.064 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001482219677 1081252174 /nfs/dbraw/zinc/25/21/74/1081252174.db2.gz MOLZVQVWALVALN-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001667692796 1081275586 /nfs/dbraw/zinc/27/55/86/1081275586.db2.gz CPXWEYUBIWSQKO-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@H+](CCNC(=O)CCC[NH+](C)C)C1CCCCCC1 ZINC001269611979 1081310259 /nfs/dbraw/zinc/31/02/59/1081310259.db2.gz VCAPZHXDFXRDEG-UHFFFAOYSA-N 2 0 321.509 2.493 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001269677435 1081330185 /nfs/dbraw/zinc/33/01/85/1081330185.db2.gz RWQXNPDVABGUOU-APWZRJJASA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001269778719 1081365308 /nfs/dbraw/zinc/36/53/08/1081365308.db2.gz VLZLYNJKOHEOSP-HOTGVXAUSA-N 2 0 318.465 2.383 20 30 DEEDRP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883878 1081406769 /nfs/dbraw/zinc/40/67/69/1081406769.db2.gz VARPHMZPJHRGNS-SEDCNLEPSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001270248908 1081484790 /nfs/dbraw/zinc/48/47/90/1081484790.db2.gz KZLJFRCSYCJELI-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001671492250 1081519373 /nfs/dbraw/zinc/51/93/73/1081519373.db2.gz UPGSMHCCJMLJBN-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001270415602 1081522075 /nfs/dbraw/zinc/52/20/75/1081522075.db2.gz VOIQHCGKWIZGGS-INIZCTEOSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001671916452 1081550370 /nfs/dbraw/zinc/55/03/70/1081550370.db2.gz LXPDVZCTVVMBMJ-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CN1CC(N(CC)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000952444530 1081714087 /nfs/dbraw/zinc/71/40/87/1081714087.db2.gz VJKOHFUMHYCNML-RDJZCZTQSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001673115921 1081739988 /nfs/dbraw/zinc/73/99/88/1081739988.db2.gz FVUYWXHBKVWWSS-BRWVUGGUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001673651409 1081789327 /nfs/dbraw/zinc/78/93/27/1081789327.db2.gz VEPOFFVJFAKTGV-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001674354252 1081863792 /nfs/dbraw/zinc/86/37/92/1081863792.db2.gz ZWFPOVNAZCOSLK-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271007185 1081872745 /nfs/dbraw/zinc/87/27/45/1081872745.db2.gz KITAVQDALPGEED-WMZOPIPTSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001674506239 1081885193 /nfs/dbraw/zinc/88/51/93/1081885193.db2.gz WDRUFLYUHGITOR-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001271405771 1082031805 /nfs/dbraw/zinc/03/18/05/1082031805.db2.gz YLPBOQNPRRQBQH-RDTXWAMCSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266459828 1082050335 /nfs/dbraw/zinc/05/03/35/1082050335.db2.gz UAGZHNPPRQYPFC-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266466724 1082056563 /nfs/dbraw/zinc/05/65/63/1082056563.db2.gz UMWDNFZQJIYLQF-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001266489679 1082071279 /nfs/dbraw/zinc/07/12/79/1082071279.db2.gz NVSYGOQJYRRYQP-IYBDPMFKSA-N 2 0 305.466 2.112 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001271656073 1082101947 /nfs/dbraw/zinc/10/19/47/1082101947.db2.gz PJPBRTAVHULOAF-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001482557678 1082214170 /nfs/dbraw/zinc/21/41/70/1082214170.db2.gz UEGVJGZILGBAIX-KRWDZBQOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001266884059 1082428194 /nfs/dbraw/zinc/42/81/94/1082428194.db2.gz KOHTUJJTALWJHQ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001483142801 1082773239 /nfs/dbraw/zinc/77/32/39/1082773239.db2.gz KUNBCUUUWYHVAU-CYBMUJFWSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438917 1083396386 /nfs/dbraw/zinc/39/63/86/1083396386.db2.gz MWRQWAZYECNKOW-ZHALLVOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001276602549 1083509454 /nfs/dbraw/zinc/50/94/54/1083509454.db2.gz AKFQKQRJGZNLFD-ZWKOTPCHSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001276644209 1083530657 /nfs/dbraw/zinc/53/06/57/1083530657.db2.gz ZSCSBWMHMIJREP-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339056 1083947886 /nfs/dbraw/zinc/94/78/86/1083947886.db2.gz DFKGXCMVYXYZDU-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001277883594 1084203471 /nfs/dbraw/zinc/20/34/71/1084203471.db2.gz LATQDRQVNVSTCJ-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP N#CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001277952309 1084463317 /nfs/dbraw/zinc/46/33/17/1084463317.db2.gz XCMYDQKBSLAROH-GOSISDBHSA-N 2 0 315.465 2.365 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722016 1084513423 /nfs/dbraw/zinc/51/34/23/1084513423.db2.gz HZJORSRWQSWPFT-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001078626815 1084771728 /nfs/dbraw/zinc/77/17/28/1084771728.db2.gz UXVUXPSWGRWMRO-HOTGVXAUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741732 1084855588 /nfs/dbraw/zinc/85/55/88/1084855588.db2.gz KHORQUBAHURJST-SJORKVTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000964185168 1085173364 /nfs/dbraw/zinc/17/33/64/1085173364.db2.gz MBZZLMZSSWKVFX-KLAILNCOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000960303955 1085188588 /nfs/dbraw/zinc/18/85/88/1085188588.db2.gz KJYNHQPNPSADDF-POZUXBRTSA-N 2 0 313.445 2.029 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000960329805 1085199073 /nfs/dbraw/zinc/19/90/73/1085199073.db2.gz OMQKUIUXMDNMSA-IEBWSBKVSA-N 2 0 313.445 2.030 20 30 DEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001486451283 1085323055 /nfs/dbraw/zinc/32/30/55/1085323055.db2.gz YWYISQWGRIGEIN-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000965933252 1085700858 /nfs/dbraw/zinc/70/08/58/1085700858.db2.gz VPYKDNAZPGFBGJ-LMBQMVEXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961443902 1085735789 /nfs/dbraw/zinc/73/57/89/1085735789.db2.gz XZZXYNABBAHYJB-ZWKOTPCHSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001494206707 1085835862 /nfs/dbraw/zinc/83/58/62/1085835862.db2.gz QUEZHFFRCAVREX-MRXNPFEDSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568279 1088417448 /nfs/dbraw/zinc/41/74/48/1088417448.db2.gz GSWKMTFQXMREGU-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562194 1088424783 /nfs/dbraw/zinc/42/47/83/1088424783.db2.gz BGLXSKGTJCUOHM-VIBAHUMZSA-N 2 0 324.428 2.349 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602595 1088450830 /nfs/dbraw/zinc/45/08/30/1088450830.db2.gz ASJTUQGTIMBXEY-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850140 1088475462 /nfs/dbraw/zinc/47/54/62/1088475462.db2.gz HLVSFUAOYOBWCL-KBAYOESNSA-N 2 0 319.493 2.406 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114853369 1089212210 /nfs/dbraw/zinc/21/22/10/1089212210.db2.gz CRCNXLSOVBPGIC-VVLHAWIVSA-N 2 0 309.498 2.343 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488007 1090303754 /nfs/dbraw/zinc/30/37/54/1090303754.db2.gz ILPZHICKQBRJDS-NVXWUHKLSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853234 1090476797 /nfs/dbraw/zinc/47/67/97/1090476797.db2.gz YBRVBNYZNRJRIG-KURKYZTESA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084957968 1090546305 /nfs/dbraw/zinc/54/63/05/1090546305.db2.gz HDLAKLGSWLQYFQ-KURKYZTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101457 1090645816 /nfs/dbraw/zinc/64/58/16/1090645816.db2.gz LVCGPRAUTAIYDN-SQNIBIBYSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001275150794 1091586803 /nfs/dbraw/zinc/58/68/03/1091586803.db2.gz NTLNZALYEIBQIA-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001275790872 1092126558 /nfs/dbraw/zinc/12/65/58/1092126558.db2.gz HWEGVNXABJXPGS-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006442578 1092134265 /nfs/dbraw/zinc/13/42/65/1092134265.db2.gz JJDUTAIBBWRVEQ-IYBDPMFKSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001275978437 1092427850 /nfs/dbraw/zinc/42/78/50/1092427850.db2.gz PNOLEEKBHRSKNU-ZWKOTPCHSA-N 2 0 300.450 2.321 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001490598324 1093436927 /nfs/dbraw/zinc/43/69/27/1093436927.db2.gz ISGVUTLVDBWCDR-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+]1CCC(N(CCC)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001490623112 1093450425 /nfs/dbraw/zinc/45/04/25/1093450425.db2.gz IIGBHPZLGOXFBH-UHFFFAOYSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001490721467 1093481428 /nfs/dbraw/zinc/48/14/28/1093481428.db2.gz CGSLXELPXUZXPY-QGZVFWFLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001490700550 1093493563 /nfs/dbraw/zinc/49/35/63/1093493563.db2.gz UIYFTHUQURATAR-QZTJIDSGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752956401 1138306300 /nfs/dbraw/zinc/30/63/00/1138306300.db2.gz MMTLEUQWLCVNJO-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001236321016 1138351450 /nfs/dbraw/zinc/35/14/50/1138351450.db2.gz NKDZNEBTGMWSKM-IYBDPMFKSA-N 2 0 308.429 2.481 20 30 DEEDRP C[NH+](C)CCN(Cc1cccc(Cl)c1C#N)[C@@H]1CCC[NH2+]C1 ZINC001236932879 1138460945 /nfs/dbraw/zinc/46/09/45/1138460945.db2.gz OORQQLDIZNXLHW-OAHLLOKOSA-N 2 0 320.868 2.327 20 30 DEEDRP CCc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)ccc1C#N ZINC001238776147 1138873690 /nfs/dbraw/zinc/87/36/90/1138873690.db2.gz SSSIZHMSOOZVFO-UHFFFAOYSA-N 2 0 302.466 2.046 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001281974665 1139836077 /nfs/dbraw/zinc/83/60/77/1139836077.db2.gz GKJPHYYOIJTEOG-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001318475203 1140341826 /nfs/dbraw/zinc/34/18/26/1140341826.db2.gz YYFNHPZIYVVBQX-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318852601 1140437073 /nfs/dbraw/zinc/43/70/73/1140437073.db2.gz XHELIJBOLBEJCO-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001319113602 1140506777 /nfs/dbraw/zinc/50/67/77/1140506777.db2.gz LZVCHRIMGIXEDJ-HZPDHXFCSA-N 2 0 304.438 2.381 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001329624744 1148944169 /nfs/dbraw/zinc/94/41/69/1148944169.db2.gz STRNJBALAHKQMW-RDJZCZTQSA-N 2 0 303.450 2.302 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001319659349 1140647914 /nfs/dbraw/zinc/64/79/14/1140647914.db2.gz JSBNYNQETOWJKN-MSOLQXFVSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001278408579 1140710667 /nfs/dbraw/zinc/71/06/67/1140710667.db2.gz FXNDAKQGZRPIQQ-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001319779491 1140712488 /nfs/dbraw/zinc/71/24/88/1140712488.db2.gz UWKLSYDPYMMUHM-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001320167768 1140832482 /nfs/dbraw/zinc/83/24/82/1140832482.db2.gz WHTUMWKSPKSIJN-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001320187769 1140836726 /nfs/dbraw/zinc/83/67/26/1140836726.db2.gz WWOXMNMSFRFSRC-SJORKVTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001245997279 1140843488 /nfs/dbraw/zinc/84/34/88/1140843488.db2.gz CGWBJKOZQZESTN-MSOLQXFVSA-N 2 0 322.424 2.020 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246023151 1140847859 /nfs/dbraw/zinc/84/78/59/1140847859.db2.gz ONYGQQDSDDNCJI-BRWVUGGUSA-N 2 0 300.487 2.272 20 30 DEEDRP N#CC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+](Cc2ccccc2)CC1 ZINC001246317641 1140883958 /nfs/dbraw/zinc/88/39/58/1140883958.db2.gz WTFVCOCRLDQCOF-DFNIBXOVSA-N 2 0 324.472 2.417 20 30 DEEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246730681 1141047072 /nfs/dbraw/zinc/04/70/72/1141047072.db2.gz AEHLSSKYPSUMFG-JFIYKMOQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246769782 1141052908 /nfs/dbraw/zinc/05/29/08/1141052908.db2.gz RLBUMXWUBWZYQS-VQTPCSAVSA-N 2 0 306.450 2.096 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001323873570 1141895077 /nfs/dbraw/zinc/89/50/77/1141895077.db2.gz POYOPIQVKSWQMN-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001324440464 1142077555 /nfs/dbraw/zinc/07/75/55/1142077555.db2.gz WXKHDCVCVYCNSC-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278564617 1142178909 /nfs/dbraw/zinc/17/89/09/1142178909.db2.gz JLSRAWSFEKUJMQ-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001278662480 1142694035 /nfs/dbraw/zinc/69/40/35/1142694035.db2.gz CGZYRANESALAND-WBVHZDCISA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001252499166 1142735975 /nfs/dbraw/zinc/73/59/75/1142735975.db2.gz WXOSXYBOJHPBTO-UHOSZYNNSA-N 2 0 318.461 2.050 20 30 DEEDRP C=CCCCCCC[C@@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001253238284 1142856452 /nfs/dbraw/zinc/85/64/52/1142856452.db2.gz BXCFYXVGRIKYFX-GOSISDBHSA-N 2 0 313.530 2.299 20 30 DEEDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254664134 1143306402 /nfs/dbraw/zinc/30/64/02/1143306402.db2.gz UKWQGJOYANCKID-NCXUSEDFSA-N 2 0 317.477 2.359 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001342382228 1143814512 /nfs/dbraw/zinc/81/45/12/1143814512.db2.gz ZXRSUMVXITULFE-HOTGVXAUSA-N 2 0 307.413 2.228 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001278995203 1143889743 /nfs/dbraw/zinc/88/97/43/1143889743.db2.gz CDORXSXXGZZXGH-HNNXBMFYSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001279047895 1143954296 /nfs/dbraw/zinc/95/42/96/1143954296.db2.gz YVDRTYNFEVUTOQ-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC[NH+](CC)CCC[C@@H](C)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001258902811 1144052637 /nfs/dbraw/zinc/05/26/37/1144052637.db2.gz GKXGYJTUGCMPQV-CYBMUJFWSA-N 2 0 304.438 2.001 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001263865843 1144416416 /nfs/dbraw/zinc/41/64/16/1144416416.db2.gz VYVDMSFXLCAGMY-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001265217518 1144669749 /nfs/dbraw/zinc/66/97/49/1144669749.db2.gz XUOMHIWIWDUHND-HOTGVXAUSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265306749 1144689387 /nfs/dbraw/zinc/68/93/87/1144689387.db2.gz WSFYHHDQBUVQAP-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265333691 1144694905 /nfs/dbraw/zinc/69/49/05/1144694905.db2.gz BMLNRJIAOLPROC-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001265540431 1144710378 /nfs/dbraw/zinc/71/03/78/1144710378.db2.gz QGEVYEZQFUVRFL-KSZLIROESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001265616176 1144718369 /nfs/dbraw/zinc/71/83/69/1144718369.db2.gz XDSRKWUKVGESJJ-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CCC[N@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266042472 1144798597 /nfs/dbraw/zinc/79/85/97/1144798597.db2.gz CQBUEAYXIVDLEU-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266222904 1144816090 /nfs/dbraw/zinc/81/60/90/1144816090.db2.gz GVHYIQSHZLYLRO-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001279245017 1144819660 /nfs/dbraw/zinc/81/96/60/1144819660.db2.gz VBBOESHIHXSMML-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001279624822 1144826214 /nfs/dbraw/zinc/82/62/14/1144826214.db2.gz RXNGELPRTCSHAD-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001316598858 1144828237 /nfs/dbraw/zinc/82/82/37/1144828237.db2.gz KDFGYAIQGHKHJX-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889901 1144861486 /nfs/dbraw/zinc/86/14/86/1144861486.db2.gz RWFGWCPCJFCRJD-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001281552852 1144896767 /nfs/dbraw/zinc/89/67/67/1144896767.db2.gz MFFXGKXCOWFZMO-INIZCTEOSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001281845198 1144916361 /nfs/dbraw/zinc/91/63/61/1144916361.db2.gz RVEMVSGRPSYBBD-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001281905251 1144919098 /nfs/dbraw/zinc/91/90/98/1144919098.db2.gz IOQSUQOZRWVCEK-IEBWSBKVSA-N 2 0 313.445 2.029 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001282215049 1145014777 /nfs/dbraw/zinc/01/47/77/1145014777.db2.gz PHHKSTDXMVTJPX-HUUCEWRRSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001282742074 1145157502 /nfs/dbraw/zinc/15/75/02/1145157502.db2.gz SMBWVKYBPMVZJM-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001283077160 1145258276 /nfs/dbraw/zinc/25/82/76/1145258276.db2.gz ANLCUKHLZPYREV-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001364739109 1145527180 /nfs/dbraw/zinc/52/71/80/1145527180.db2.gz XNEPUFYUTMGPIR-SJLPKXTDSA-N 2 0 304.482 2.171 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001283999019 1145742855 /nfs/dbraw/zinc/74/28/55/1145742855.db2.gz YZUDMCXVXBDUAS-DZGCQCFKSA-N 2 0 312.417 2.411 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001284605583 1145878149 /nfs/dbraw/zinc/87/81/49/1145878149.db2.gz YQQWKXFEXQNMNR-DLBZAZTESA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001284994565 1146004714 /nfs/dbraw/zinc/00/47/14/1146004714.db2.gz IJIQTAQZLNTUCD-UHFFFAOYSA-N 2 0 305.466 2.187 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001365936966 1146923564 /nfs/dbraw/zinc/92/35/64/1146923564.db2.gz YQQYCXZCEHSUQU-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492154451 1147102076 /nfs/dbraw/zinc/10/20/76/1147102076.db2.gz NJROWAOCNINLME-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317330642 1147341988 /nfs/dbraw/zinc/34/19/88/1147341988.db2.gz MXXJZEKXHPQUIT-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316880390 1147620132 /nfs/dbraw/zinc/62/01/32/1147620132.db2.gz OWATYMLBFJPSQL-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001316897029 1147626159 /nfs/dbraw/zinc/62/61/59/1147626159.db2.gz WFFDHCRSDAUNMP-UHFFFAOYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001316998229 1147646893 /nfs/dbraw/zinc/64/68/93/1147646893.db2.gz KLINSAUDLNSJFL-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317155847 1147667835 /nfs/dbraw/zinc/66/78/35/1147667835.db2.gz PRTIHHRBJLDENB-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317325330 1147690990 /nfs/dbraw/zinc/69/09/90/1147690990.db2.gz GELSFDTYPUFPKE-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317383912 1147699983 /nfs/dbraw/zinc/69/99/83/1147699983.db2.gz IPMIJACBIQZHFA-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317382703 1147699991 /nfs/dbraw/zinc/69/99/91/1147699991.db2.gz UJHPNIIVJABWAD-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317673245 1147741775 /nfs/dbraw/zinc/74/17/75/1147741775.db2.gz BCKAJIUJYDKSPF-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001324752220 1147839800 /nfs/dbraw/zinc/83/98/00/1147839800.db2.gz PWVMZHIKXRZFMA-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001325414115 1147903564 /nfs/dbraw/zinc/90/35/64/1147903564.db2.gz DJHMDEGQIORCCK-ZBFHGGJFSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001325656452 1147977949 /nfs/dbraw/zinc/97/79/49/1147977949.db2.gz OZQRQHYLWRTQJC-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001325943209 1148022012 /nfs/dbraw/zinc/02/20/12/1148022012.db2.gz RXNGELPRTCSHAD-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000079307431 185164329 /nfs/dbraw/zinc/16/43/29/185164329.db2.gz CFSFZROJHHULPM-OAHLLOKOSA-N 2 0 303.450 2.309 20 30 DEEDRP CC[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000104166864 529444616 /nfs/dbraw/zinc/44/46/16/529444616.db2.gz OFCFGEZKFLAZFS-AWEZNQCLSA-N 2 0 320.437 2.305 20 30 DEEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264090635 529695217 /nfs/dbraw/zinc/69/52/17/529695217.db2.gz KVYYNEDHVRDJLU-RDJZCZTQSA-N 2 0 302.466 2.254 20 30 DEEDRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC000181705355 199341488 /nfs/dbraw/zinc/34/14/88/199341488.db2.gz HWNNAPBGHTYDLN-INIZCTEOSA-N 2 0 300.450 2.236 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000172185647 198054357 /nfs/dbraw/zinc/05/43/57/198054357.db2.gz SPDSZSOTAZCSNT-MRXNPFEDSA-N 2 0 324.513 2.302 20 30 DEEDRP CC(C)[NH+]1CCC(O)(CNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000328749239 539910842 /nfs/dbraw/zinc/91/08/42/539910842.db2.gz MGKNJMISPDZOPK-UHFFFAOYSA-N 2 0 323.481 2.053 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000050027363 354366143 /nfs/dbraw/zinc/36/61/43/354366143.db2.gz UXDBHBKCSWJAEZ-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP CCNC(NCc1ccc(OCC[NH+](CC)CC)cc1)=[NH+]CC ZINC000066243156 354705735 /nfs/dbraw/zinc/70/57/35/354705735.db2.gz HIMHATCGOBSZPV-UHFFFAOYSA-N 2 0 320.481 2.482 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181500987 356083941 /nfs/dbraw/zinc/08/39/41/356083941.db2.gz XMKIEHLZOZNWER-HZPDHXFCSA-N 2 0 300.450 2.235 20 30 DEEDRP C=CC[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000680483943 542012082 /nfs/dbraw/zinc/01/20/82/542012082.db2.gz DQZHLSTUBPTROE-KRWDZBQOSA-N 2 0 317.477 2.244 20 30 DEEDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000349378096 146373870 /nfs/dbraw/zinc/37/38/70/146373870.db2.gz KZFDOKIHTPWFAI-LSDHHAIUSA-N 2 0 318.440 2.374 20 30 DEEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)c1 ZINC000104183171 402199378 /nfs/dbraw/zinc/19/93/78/402199378.db2.gz MWVWXWUIMQZDOZ-UHFFFAOYSA-N 2 0 317.481 2.058 20 30 DEEDRP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000104181706 402199648 /nfs/dbraw/zinc/19/96/48/402199648.db2.gz PATJGWUKYYXIDP-QGZVFWFLSA-N 2 0 302.466 2.255 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000106263485 402212772 /nfs/dbraw/zinc/21/27/72/402212772.db2.gz QLELFPJYIJOBMN-INIZCTEOSA-N 2 0 322.497 2.058 20 30 DEEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000176864317 402344070 /nfs/dbraw/zinc/34/40/70/402344070.db2.gz RPMGQIONBVICRB-AWEZNQCLSA-N 2 0 319.424 2.222 20 30 DEEDRP C=CC[C@H](CO)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186687671 402455419 /nfs/dbraw/zinc/45/54/19/402455419.db2.gz BEHRQUXHXZLWQE-RDGPPVDQSA-N 2 0 300.446 2.424 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000170912038 402540559 /nfs/dbraw/zinc/54/05/59/402540559.db2.gz VAPNWWNXKXDCHK-OAHLLOKOSA-N 2 0 318.465 2.220 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000170908890 402540596 /nfs/dbraw/zinc/54/05/96/402540596.db2.gz LWDXPBLMMLHAHH-OAHLLOKOSA-N 2 0 318.465 2.222 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000170910367 402540626 /nfs/dbraw/zinc/54/06/26/402540626.db2.gz NEQFLXIERKHAII-MRXNPFEDSA-N 2 0 318.465 2.220 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)N1 ZINC000262635716 402728742 /nfs/dbraw/zinc/72/87/42/402728742.db2.gz GTAYNNCRUPKYRE-CABCVRRESA-N 2 0 300.450 2.356 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCCCCC3)cc2)N1 ZINC000262659755 402729564 /nfs/dbraw/zinc/72/95/64/402729564.db2.gz MPOGPYRVMLTNHE-OAHLLOKOSA-N 2 0 300.450 2.500 20 30 DEEDRP Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272133624 402901318 /nfs/dbraw/zinc/90/13/18/402901318.db2.gz ATHMWVCGSWWRLV-UHFFFAOYSA-N 2 0 321.428 2.310 20 30 DEEDRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282421525 403152246 /nfs/dbraw/zinc/15/22/46/403152246.db2.gz SQJZPGJMAZOUEW-HNNXBMFYSA-N 2 0 300.450 2.235 20 30 DEEDRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339039950 403332108 /nfs/dbraw/zinc/33/21/08/403332108.db2.gz CUPKLJDLNUBBQS-AEFFLSMTSA-N 2 0 304.482 2.169 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339057959 403338893 /nfs/dbraw/zinc/33/88/93/403338893.db2.gz JSKMHFFUGHIUGQ-FUHWJXTLSA-N 2 0 304.482 2.169 20 30 DEEDRP C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414692537 404709749 /nfs/dbraw/zinc/70/97/49/404709749.db2.gz QKNJTJIOIJLOPH-OAHLLOKOSA-N 2 0 319.424 2.011 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)C(C)C ZINC000417063874 405024699 /nfs/dbraw/zinc/02/46/99/405024699.db2.gz NXVLGHPHWRXGNB-INIZCTEOSA-N 2 0 322.497 2.078 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)C(C)C ZINC000417063876 405024890 /nfs/dbraw/zinc/02/48/90/405024890.db2.gz NXVLGHPHWRXGNB-MRXNPFEDSA-N 2 0 322.497 2.078 20 30 DEEDRP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000361226920 404983136 /nfs/dbraw/zinc/98/31/36/404983136.db2.gz DFQCPNHLSDAQFU-MJGOQNOKSA-N 2 0 323.525 2.363 20 30 DEEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[NH+](C)C ZINC000354166818 405079666 /nfs/dbraw/zinc/07/96/66/405079666.db2.gz MXLAZSHIVHKEPD-UHFFFAOYSA-N 2 0 323.510 2.146 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000423206021 405723080 /nfs/dbraw/zinc/72/30/80/405723080.db2.gz FOXNTEXQYYZCHK-SFHVURJKSA-N 2 0 312.461 2.112 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(C[NH+](C)C)c1 ZINC000491568257 406626092 /nfs/dbraw/zinc/62/60/92/406626092.db2.gz PVCCGKKRXMQEHC-KRWDZBQOSA-N 2 0 300.402 2.003 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)cc1C ZINC000267425536 225357045 /nfs/dbraw/zinc/35/70/45/225357045.db2.gz LJZQTFNNIQFBEF-UHFFFAOYSA-N 2 0 304.438 2.141 20 30 DEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661117514 425327388 /nfs/dbraw/zinc/32/73/88/425327388.db2.gz REUQHRYCHAHKTG-CRAIPNDOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C(C)C ZINC000653110490 425407823 /nfs/dbraw/zinc/40/78/23/425407823.db2.gz KGXNYFFMOLDUSM-RCCFBDPRSA-N 2 0 319.493 2.332 20 30 DEEDRP C=CCOCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665263394 425532050 /nfs/dbraw/zinc/53/20/50/425532050.db2.gz LRKRRTUURTVPBO-FUHWJXTLSA-N 2 0 302.418 2.425 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1([NH3+])CCCC1)C(C)C ZINC000659437021 425603232 /nfs/dbraw/zinc/60/32/32/425603232.db2.gz YHKUDGGLWNWCJK-INIZCTEOSA-N 2 0 322.497 2.256 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCC[NH2+]1 ZINC000662792633 425736695 /nfs/dbraw/zinc/73/66/95/425736695.db2.gz GRQHGOHBUKJGOV-SOLBZPMBSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[C@]1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CCC[NH2+]1 ZINC000662815705 425742281 /nfs/dbraw/zinc/74/22/81/425742281.db2.gz SESISCWWWBQQFO-MRXNPFEDSA-N 2 0 320.462 2.247 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662669324 425707640 /nfs/dbraw/zinc/70/76/40/425707640.db2.gz PUHJGNUECDUNRI-IBGZPJMESA-N 2 0 315.461 2.323 20 30 DEEDRP C=CC[C@]1(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662695974 425715253 /nfs/dbraw/zinc/71/52/53/425715253.db2.gz RSJINNMWRNHOKJ-LISAXSMJSA-N 2 0 307.482 2.167 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353416126 276195073 /nfs/dbraw/zinc/19/50/73/276195073.db2.gz XCUJFVUQSSZSOS-IBGZPJMESA-N 2 0 312.461 2.163 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000342766491 277852330 /nfs/dbraw/zinc/85/23/30/277852330.db2.gz VLMBJAUKKFIHEB-IXDOHACOSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088951927 782072858 /nfs/dbraw/zinc/07/28/58/782072858.db2.gz OUCADDFWBMGWLP-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001424378008 1173774928 /nfs/dbraw/zinc/77/49/28/1173774928.db2.gz SNOLZMCAOYEQTF-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC2=[NH+]CCN2C)cc1 ZINC000262669214 534164293 /nfs/dbraw/zinc/16/42/93/534164293.db2.gz QHJXXGVELBFYSQ-OAHLLOKOSA-N 2 0 300.450 2.452 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001327474330 1148564705 /nfs/dbraw/zinc/56/47/05/1148564705.db2.gz IYEDMQRLRSUAKS-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C[NH+]=C(NCc1sccc1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261995999 526393594 /nfs/dbraw/zinc/39/35/94/526393594.db2.gz SLAHEKBOPRNRLR-KBPBESRZSA-N 2 0 308.495 2.450 20 30 DEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423100203 526889093 /nfs/dbraw/zinc/88/90/93/526889093.db2.gz GPRUOYULHDZVSP-IPMKNSEASA-N 2 0 316.445 2.498 20 30 DEEDRP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264065052 527982276 /nfs/dbraw/zinc/98/22/76/527982276.db2.gz AVTSZDZJJVSYRB-QGZVFWFLSA-N 2 0 302.466 2.208 20 30 DEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH+]C)N2CCc3ccccc32)C1 ZINC000263115971 528248745 /nfs/dbraw/zinc/24/87/45/528248745.db2.gz FUNPYFONCWQERX-HNNXBMFYSA-N 2 0 300.450 2.356 20 30 DEEDRP CC[NH+]=C(NCC1CCSCC1)NC1CC[NH+](C2CC2)CC1 ZINC000262777630 528804939 /nfs/dbraw/zinc/80/49/39/528804939.db2.gz KIYGEHKLJOGMLR-UHFFFAOYSA-N 2 0 324.538 2.312 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001379422586 1152622552 /nfs/dbraw/zinc/62/25/52/1152622552.db2.gz WOLATPFOLYJLAX-CQSZACIVSA-N 2 0 323.868 2.251 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001330599857 1149207116 /nfs/dbraw/zinc/20/71/16/1149207116.db2.gz SUJXPNPYPWITJT-UOVPBQLFSA-N 2 0 319.493 2.167 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]12 ZINC001026327767 625306493 /nfs/dbraw/zinc/30/64/93/625306493.db2.gz BIVXBKGTAIVDJO-BRWVUGGUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663559 625321601 /nfs/dbraw/zinc/32/16/01/625321601.db2.gz XCSAGLHYNAQPKE-UKRRQHHQSA-N 2 0 305.422 2.110 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025458759 625451914 /nfs/dbraw/zinc/45/19/14/625451914.db2.gz CKDDRNJJYLFTCW-ZBFHGGJFSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648412 622863743 /nfs/dbraw/zinc/86/37/43/622863743.db2.gz JNEGXPMHUMRZTF-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000892851129 625663956 /nfs/dbraw/zinc/66/39/56/625663956.db2.gz CMQMXSHRAWZSJV-UHFFFAOYSA-N 2 0 324.513 2.256 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664301 623920150 /nfs/dbraw/zinc/92/01/50/623920150.db2.gz GXNHWWHDQWLCHE-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436720 624038226 /nfs/dbraw/zinc/03/82/26/624038226.db2.gz MBRFCZJAIXZVLD-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926344881 624772839 /nfs/dbraw/zinc/77/28/39/624772839.db2.gz ZFJRPQZQKDZRMS-QCLGFWRNSA-N 2 0 308.466 2.199 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972486234 625120913 /nfs/dbraw/zinc/12/09/13/625120913.db2.gz QWWWEHSBLUWLTG-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000328877372 625140924 /nfs/dbraw/zinc/14/09/24/625140924.db2.gz IMUSQUBLCBIRPZ-QGZVFWFLSA-N 2 0 323.481 2.054 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023452054 625277531 /nfs/dbraw/zinc/27/75/31/625277531.db2.gz VTVPCWJZPQWYBY-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001027693683 634447967 /nfs/dbraw/zinc/44/79/67/634447967.db2.gz GKEUVCPEZVKOBZ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001027693684 634448103 /nfs/dbraw/zinc/44/81/03/634448103.db2.gz GKEUVCPEZVKOBZ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442646 625778602 /nfs/dbraw/zinc/77/86/02/625778602.db2.gz UHAWCXXAHGVDFD-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024477157 625803092 /nfs/dbraw/zinc/80/30/92/625803092.db2.gz KAGYKSVGKNXCNE-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518371 634507661 /nfs/dbraw/zinc/50/76/61/634507661.db2.gz RPVOQANVJUGUIN-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999351103 634570055 /nfs/dbraw/zinc/57/00/55/634570055.db2.gz CKHULEDUWXGAOB-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999561018 634628796 /nfs/dbraw/zinc/62/87/96/634628796.db2.gz NGYFEDLTZCNHHU-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001000237783 634811734 /nfs/dbraw/zinc/81/17/34/634811734.db2.gz SUROZBLPEMCFSG-KRWDZBQOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995911910 633142575 /nfs/dbraw/zinc/14/25/75/633142575.db2.gz BQFPGYBFHYQPMT-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC000995999717 633158727 /nfs/dbraw/zinc/15/87/27/633158727.db2.gz ZLKYHPJSGVVPQU-JKSUJKDBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974581037 633163062 /nfs/dbraw/zinc/16/30/62/633163062.db2.gz VRCLDROZFUWOHR-HOTGVXAUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000974729183 633270200 /nfs/dbraw/zinc/27/02/00/633270200.db2.gz HPRSCGZMWFZDPU-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000997059482 633565846 /nfs/dbraw/zinc/56/58/46/633565846.db2.gz DEPDZAKNYMBBBC-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997085289 633572166 /nfs/dbraw/zinc/57/21/66/633572166.db2.gz MUUXZQODHUKWCY-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472634 633854830 /nfs/dbraw/zinc/85/48/30/633854830.db2.gz VGDJTZBFYOWQNE-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997586763 633885747 /nfs/dbraw/zinc/88/57/47/633885747.db2.gz JGYVQMWWHWQCJM-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977338608 633932403 /nfs/dbraw/zinc/93/24/03/633932403.db2.gz UTOPNARVSKTCDZ-KRWDZBQOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997837453 634006652 /nfs/dbraw/zinc/00/66/52/634006652.db2.gz SUENBEWQTGOKLQ-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027919017 634965967 /nfs/dbraw/zinc/96/59/67/634965967.db2.gz SFAOGQAXQRMTOR-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980472659 635013761 /nfs/dbraw/zinc/01/37/61/635013761.db2.gz VZIOHOZKVGPARH-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925773468 635016332 /nfs/dbraw/zinc/01/63/32/635016332.db2.gz YMYMVKIFYQKFQC-UWWQBHOKSA-N 2 0 302.418 2.159 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000680353 635274748 /nfs/dbraw/zinc/27/47/48/635274748.db2.gz UVNDXMNJWCEXAB-QGZVFWFLSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000681985 635275630 /nfs/dbraw/zinc/27/56/30/635275630.db2.gz GJEYNIODTFUSEZ-ZWKOTPCHSA-N 2 0 317.477 2.185 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981269144 635416387 /nfs/dbraw/zinc/41/63/87/635416387.db2.gz UHPKFBVAWDHFIX-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000981338793 635443706 /nfs/dbraw/zinc/44/37/06/635443706.db2.gz ZSGUADPYIKIHHB-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404618 635488286 /nfs/dbraw/zinc/48/82/86/635488286.db2.gz JKPPVJRFSMBVHG-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCN1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000981508605 635508297 /nfs/dbraw/zinc/50/82/97/635508297.db2.gz CHOWVSKCDHTWQF-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001002160159 635630135 /nfs/dbraw/zinc/63/01/35/635630135.db2.gz UMRLRKYLUYOJLW-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981827989 635674262 /nfs/dbraw/zinc/67/42/62/635674262.db2.gz VLGCFUQQQOBDCL-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2csc(C#N)c2)ccn1 ZINC000921942943 635745303 /nfs/dbraw/zinc/74/53/03/635745303.db2.gz XVIOFCNNHHBQBK-UHFFFAOYSA-N 2 0 316.430 2.245 20 30 DEEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981992059 635796489 /nfs/dbraw/zinc/79/64/89/635796489.db2.gz QITHMLGOIVDBES-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002993896 635876798 /nfs/dbraw/zinc/87/67/98/635876798.db2.gz AYKTWKOXRLOYCY-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982152026 635891663 /nfs/dbraw/zinc/89/16/63/635891663.db2.gz PZOTVUGZFZOTIR-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230706 635925685 /nfs/dbraw/zinc/92/56/85/635925685.db2.gz QMPNAMOTTCKMBA-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295708 635954120 /nfs/dbraw/zinc/95/41/20/635954120.db2.gz BKPUJGHLOBXUGD-HDICACEKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968796 636105691 /nfs/dbraw/zinc/10/56/91/636105691.db2.gz UVOBEMNPCUJFDS-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922388207 636141911 /nfs/dbraw/zinc/14/19/11/636141911.db2.gz CXYTWJVRPCHFLA-WTGUMLROSA-N 2 0 312.457 2.237 20 30 DEEDRP C#Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922388209 636142115 /nfs/dbraw/zinc/14/21/15/636142115.db2.gz CXYTWJVRPCHFLA-ZRNYENFQSA-N 2 0 312.457 2.237 20 30 DEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982598799 636302283 /nfs/dbraw/zinc/30/22/83/636302283.db2.gz LCFFLVIMVJHFEJ-NXHRZFHOSA-N 2 0 316.449 2.191 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573613 636351215 /nfs/dbraw/zinc/35/12/15/636351215.db2.gz SSSBSIWFFVQERE-CYBMUJFWSA-N 2 0 307.463 2.047 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001005586040 636789520 /nfs/dbraw/zinc/78/95/20/636789520.db2.gz UKBOUWDRVJLTIC-DLBZAZTESA-N 2 0 305.466 2.112 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711905 636801568 /nfs/dbraw/zinc/80/15/68/636801568.db2.gz WTIGNUBTDSGAOM-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711903 636801708 /nfs/dbraw/zinc/80/17/08/636801708.db2.gz WTIGNUBTDSGAOM-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028918330 636849855 /nfs/dbraw/zinc/84/98/55/636849855.db2.gz FGITZAQVBQJNRD-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919362 636853393 /nfs/dbraw/zinc/85/33/93/636853393.db2.gz UOOHWMZEERBNAF-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP CN(Cc1csc(C#N)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894459712 637053557 /nfs/dbraw/zinc/05/35/57/637053557.db2.gz MCLZEJGPTSFWHD-MRXNPFEDSA-N 2 0 318.490 2.220 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946892466 637125992 /nfs/dbraw/zinc/12/59/92/637125992.db2.gz CLDPDZFAAQIQEX-KSZLIROESA-N 2 0 319.493 2.075 20 30 DEEDRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000923413225 637166754 /nfs/dbraw/zinc/16/67/54/637166754.db2.gz FAQPFEJXLBBZOY-FUHWJXTLSA-N 2 0 301.434 2.289 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC000987566535 640224331 /nfs/dbraw/zinc/22/43/31/640224331.db2.gz BTCPMTIYSIIPNQ-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000764454848 640638334 /nfs/dbraw/zinc/63/83/34/640638334.db2.gz ADMQCRQWRSRCRP-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989633543 641174540 /nfs/dbraw/zinc/17/45/40/641174540.db2.gz YDERIKLIWAVSPM-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCN1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989775182 641225000 /nfs/dbraw/zinc/22/50/00/641225000.db2.gz PDMQANHLFGLCEP-UHFFFAOYSA-N 2 0 319.449 2.455 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829541 641244397 /nfs/dbraw/zinc/24/43/97/641244397.db2.gz SWFLBDMQMIFKBX-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH+]1CCC(NC(NCc2nc(C)c(C)s2)=[NH+]C)CC1 ZINC000089062160 641307592 /nfs/dbraw/zinc/30/75/92/641307592.db2.gz QBZZKKYWEVDUGW-UHFFFAOYSA-N 2 0 321.494 2.075 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000900428952 642368232 /nfs/dbraw/zinc/36/82/32/642368232.db2.gz LNQPXIIYTDJIOW-ZACQAIPSSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814065 643463782 /nfs/dbraw/zinc/46/37/82/643463782.db2.gz JROWIWZGPGCTLU-INIZCTEOSA-N 2 0 305.466 2.171 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044981 643621265 /nfs/dbraw/zinc/62/12/65/643621265.db2.gz SENJBIKSXWOVBZ-ZHALLVOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCN1CCC([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905095035 643798922 /nfs/dbraw/zinc/79/89/22/643798922.db2.gz HIXFENZVQDSUPL-RTBURBONSA-N 2 0 318.461 2.101 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991619177 646547765 /nfs/dbraw/zinc/54/77/65/646547765.db2.gz FAJIUISTOYODNO-AEFFLSMTSA-N 2 0 310.401 2.247 20 30 DEEDRP CCOCCCNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911762 646674615 /nfs/dbraw/zinc/67/46/15/646674615.db2.gz GKYWUXNULLXOJP-UHFFFAOYSA-N 2 0 318.465 2.113 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169377 646882656 /nfs/dbraw/zinc/88/26/56/646882656.db2.gz QPADAFCNQRKGKE-YJBOKZPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185650 646891878 /nfs/dbraw/zinc/89/18/78/646891878.db2.gz CGKZYVMQGXOLRC-ZIFCJYIRSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992282911 646927064 /nfs/dbraw/zinc/92/70/64/646927064.db2.gz JLQSFMRMBNFKOC-WMZOPIPTSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@H]12 ZINC000992446240 647012406 /nfs/dbraw/zinc/01/24/06/647012406.db2.gz MEMJMEIDCXPUID-WMZOPIPTSA-N 2 0 316.449 2.340 20 30 DEEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000817919748 647382213 /nfs/dbraw/zinc/38/22/13/647382213.db2.gz VTVWNUUMPXKDBM-LFVTVUPYSA-N 2 0 317.433 2.209 20 30 DEEDRP COCC1(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC[NH2+]CC1 ZINC000817974272 647397384 /nfs/dbraw/zinc/39/73/84/647397384.db2.gz KNODUQLTXCHSJV-HNNXBMFYSA-N 2 0 317.433 2.256 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)cccc1C ZINC000153437703 647462207 /nfs/dbraw/zinc/46/22/07/647462207.db2.gz QHCLFNPBZFQBLR-INIZCTEOSA-N 2 0 302.466 2.235 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993325179 647606358 /nfs/dbraw/zinc/60/63/58/647606358.db2.gz HPPBKJPFIIBDLQ-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736142 648934976 /nfs/dbraw/zinc/93/49/76/648934976.db2.gz AGUHQUWOGXOREE-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865205 648957746 /nfs/dbraw/zinc/95/77/46/648957746.db2.gz UJYXJPGAKMKBBC-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896060 648964521 /nfs/dbraw/zinc/96/45/21/648964521.db2.gz RMNYYEYVCLMTLZ-MRXNPFEDSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033868 648990538 /nfs/dbraw/zinc/99/05/38/648990538.db2.gz WWPWZGAJXAAOMT-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598439 649257287 /nfs/dbraw/zinc/25/72/87/649257287.db2.gz XNBJSBVVDYSIRS-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575172 649650483 /nfs/dbraw/zinc/65/04/83/649650483.db2.gz QTELGCVOYWXCBD-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP CC(C)(C#N)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849017474 651583944 /nfs/dbraw/zinc/58/39/44/651583944.db2.gz YKPAXIJTYLJUJA-UHFFFAOYSA-N 2 0 313.449 2.315 20 30 DEEDRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852868412 652473267 /nfs/dbraw/zinc/47/32/67/652473267.db2.gz SBKBSUJFCDBKFJ-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(C)c1 ZINC000304792567 685262260 /nfs/dbraw/zinc/26/22/60/685262260.db2.gz LCKWDTWOJWNUNG-JKSUJKDBSA-N 2 0 318.465 2.151 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C)cc1C ZINC000104176787 684058236 /nfs/dbraw/zinc/05/82/36/684058236.db2.gz LOHFNXRVNNSZIN-KRWDZBQOSA-N 2 0 302.466 2.235 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000104154002 684058465 /nfs/dbraw/zinc/05/84/65/684058465.db2.gz XVCGZEBVPGZWIO-AWEZNQCLSA-N 2 0 318.421 2.059 20 30 DEEDRP C[C@H]1CCCN(C(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000104162989 684058788 /nfs/dbraw/zinc/05/87/88/684058788.db2.gz AHRPTTXMCDFUHG-HNNXBMFYSA-N 2 0 318.465 2.174 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148711 693863228 /nfs/dbraw/zinc/86/32/28/693863228.db2.gz USJKRABTFOKSFJ-WMZOPIPTSA-N 2 0 307.482 2.073 20 30 DEEDRP N#CC1CCC(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000929282715 693930365 /nfs/dbraw/zinc/93/03/65/693930365.db2.gz BSSCKYNZOPKZPT-UHFFFAOYSA-N 2 0 305.466 2.361 20 30 DEEDRP CC1CC[NH+](CCCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000303772482 685233206 /nfs/dbraw/zinc/23/32/06/685233206.db2.gz DPXGNDMNUWPXLJ-UHFFFAOYSA-N 2 0 302.466 2.255 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(Cl)c1 ZINC000303784026 685234294 /nfs/dbraw/zinc/23/42/94/685234294.db2.gz OWVAVGVULMLMNE-GFCCVEGCSA-N 2 0 312.820 2.368 20 30 DEEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000303870845 685236215 /nfs/dbraw/zinc/23/62/15/685236215.db2.gz FOYYYELWTLEJSP-DLBZAZTESA-N 3 0 323.529 2.030 20 30 DEEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])NCCc2ccccc2)c1 ZINC000303877666 685236484 /nfs/dbraw/zinc/23/64/84/685236484.db2.gz FMQNWVXRNZWEJN-UHFFFAOYSA-N 2 0 310.445 2.395 20 30 DEEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000303877673 685236567 /nfs/dbraw/zinc/23/65/67/685236567.db2.gz FMYSXLPBUNEIHA-JKSUJKDBSA-N 2 0 302.466 2.396 20 30 DEEDRP C[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000303905921 685239892 /nfs/dbraw/zinc/23/98/92/685239892.db2.gz ZREBQUODLZPMPI-INIZCTEOSA-N 2 0 302.466 2.426 20 30 DEEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303975222 685241089 /nfs/dbraw/zinc/24/10/89/685241089.db2.gz IVVRMNRGHPWFGB-GFCCVEGCSA-N 2 0 308.426 2.161 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000303981013 685241521 /nfs/dbraw/zinc/24/15/21/685241521.db2.gz OPMFBVINCRACDM-UHFFFAOYSA-N 2 0 317.481 2.003 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001054646674 694014974 /nfs/dbraw/zinc/01/49/74/694014974.db2.gz CIQJQWPXZLTNBV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865488975 687231737 /nfs/dbraw/zinc/23/17/37/687231737.db2.gz ZXANGGFVKPFOQK-KRWDZBQOSA-N 2 0 318.465 2.071 20 30 DEEDRP C[NH+](C)C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1C[NH+](C)C ZINC000866012923 687408801 /nfs/dbraw/zinc/40/88/01/687408801.db2.gz WAOJTHDPLOLTON-HUUCEWRRSA-N 2 0 320.868 2.387 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016687262 687682586 /nfs/dbraw/zinc/68/25/86/687682586.db2.gz GFRRHPJFZUQSKK-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761550 687697306 /nfs/dbraw/zinc/69/73/06/687697306.db2.gz MSUOHTWWRWQJKH-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016820270 687709557 /nfs/dbraw/zinc/70/95/57/687709557.db2.gz PVTCQBHZGSDXLG-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659672 687934420 /nfs/dbraw/zinc/93/44/20/687934420.db2.gz YBNKTVREVXUHKW-BDXSIMOUSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018093873 688052609 /nfs/dbraw/zinc/05/26/09/688052609.db2.gz QIPZUIQMQSAGGI-HDICACEKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310866 688107390 /nfs/dbraw/zinc/10/73/90/688107390.db2.gz SHOVEPLMQLIIQC-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001019076215 688281012 /nfs/dbraw/zinc/28/10/12/688281012.db2.gz QVWZGBYJQSEEQL-LSDHHAIUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454502 689155603 /nfs/dbraw/zinc/15/56/03/689155603.db2.gz VJTPFEVXOHONLY-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143817 689402483 /nfs/dbraw/zinc/40/24/83/689402483.db2.gz MJXALEGFYZKLRV-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033147085 689404709 /nfs/dbraw/zinc/40/47/09/689404709.db2.gz SAIYRIAQFPWYAE-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466012 689510823 /nfs/dbraw/zinc/51/08/23/689510823.db2.gz BNUVRYXPRKKONL-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467942 689511607 /nfs/dbraw/zinc/51/16/07/689511607.db2.gz UVEGRNCBZAIJMZ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034241463 689777604 /nfs/dbraw/zinc/77/76/04/689777604.db2.gz XVZGZXVPZINEHI-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000876523705 689845971 /nfs/dbraw/zinc/84/59/71/689845971.db2.gz BIWSFXQBBXHSNU-LSDHHAIUSA-N 2 0 309.841 2.396 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437052 689850942 /nfs/dbraw/zinc/85/09/42/689850942.db2.gz CZQCMXRSUMIMEP-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000876711933 689912096 /nfs/dbraw/zinc/91/20/96/689912096.db2.gz JIPIXHCVVUEZFQ-HNNXBMFYSA-N 2 0 309.841 2.095 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000876731678 689918930 /nfs/dbraw/zinc/91/89/30/689918930.db2.gz MZKXCVYOWLUDSB-AWEZNQCLSA-N 2 0 301.862 2.035 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000876773777 689933494 /nfs/dbraw/zinc/93/34/94/689933494.db2.gz FDPQCPDJGIDGBV-YMAMQOFZSA-N 2 0 313.873 2.370 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000877147439 690029629 /nfs/dbraw/zinc/02/96/29/690029629.db2.gz FEGSIKRAUMHBCS-AWEZNQCLSA-N 2 0 313.873 2.323 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038443125 690824444 /nfs/dbraw/zinc/82/44/44/690824444.db2.gz GEILTDUDIMYRIB-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038557577 690858206 /nfs/dbraw/zinc/85/82/06/690858206.db2.gz VPGUFEAAFLSSJV-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038700204 690900933 /nfs/dbraw/zinc/90/09/33/690900933.db2.gz PLXRGSJCJHVNBX-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039163559 691036500 /nfs/dbraw/zinc/03/65/00/691036500.db2.gz CPMQTBTVJZDCAG-SJLPKXTDSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040264029 691222267 /nfs/dbraw/zinc/22/22/67/691222267.db2.gz KVVLBMXRUCTLJT-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849430 691292744 /nfs/dbraw/zinc/29/27/44/691292744.db2.gz REVIFXUYEHTODR-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041301319 691357985 /nfs/dbraw/zinc/35/79/85/691357985.db2.gz LLUKPFOIIAITRI-YQVWRLOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537039 691389727 /nfs/dbraw/zinc/38/97/27/691389727.db2.gz TWYZWFNUBINUAK-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041675727 691408418 /nfs/dbraw/zinc/40/84/18/691408418.db2.gz RQQFFWVQBUPGHQ-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041724584 691417750 /nfs/dbraw/zinc/41/77/50/691417750.db2.gz BHTHEHNFPHVCKJ-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725277 691418056 /nfs/dbraw/zinc/41/80/56/691418056.db2.gz MUUYKZVFMLQFTA-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844299 691443528 /nfs/dbraw/zinc/44/35/28/691443528.db2.gz GDPXKISEUOYQKN-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000883171293 691447093 /nfs/dbraw/zinc/44/70/93/691447093.db2.gz URXHFYUXFZUEEX-MSOLQXFVSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCCO1 ZINC000883172821 691447927 /nfs/dbraw/zinc/44/79/27/691447927.db2.gz USVJSNHOLGKREK-MSOLQXFVSA-N 2 0 309.498 2.117 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094174 691506150 /nfs/dbraw/zinc/50/61/50/691506150.db2.gz QFVBUIPRXOOALD-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042134275 691517470 /nfs/dbraw/zinc/51/74/70/691517470.db2.gz OEMTXMKCNQHYBA-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044764684 691883509 /nfs/dbraw/zinc/88/35/09/691883509.db2.gz CJFVZBPDLNDMSO-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045619373 692006643 /nfs/dbraw/zinc/00/66/43/692006643.db2.gz FJFDGWLNIHOKPB-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001046314731 692148984 /nfs/dbraw/zinc/14/89/84/692148984.db2.gz NUBDDBHLTNYCQQ-SFHVURJKSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330496 692155308 /nfs/dbraw/zinc/15/53/08/692155308.db2.gz LGQPRSKGUBFNAZ-JZXOWHBKSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450329 692190841 /nfs/dbraw/zinc/19/08/41/692190841.db2.gz SEPCJJYZEKJJKP-GOSISDBHSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048912730 692721508 /nfs/dbraw/zinc/72/15/08/692721508.db2.gz PGRXIGXTZMGMNV-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001049234054 692796726 /nfs/dbraw/zinc/79/67/26/692796726.db2.gz XJIUIYVKOZCUIG-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049370354 692859001 /nfs/dbraw/zinc/85/90/01/692859001.db2.gz UYKWBFRVRSPXIE-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049535936 692915408 /nfs/dbraw/zinc/91/54/08/692915408.db2.gz LEUQRJONYWFYRV-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568764 692924795 /nfs/dbraw/zinc/92/47/95/692924795.db2.gz WERSTRCQAFESDE-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001049866758 693030058 /nfs/dbraw/zinc/03/00/58/693030058.db2.gz JHLDTWKCHJCMKS-AOIWGVFYSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052499340 693550567 /nfs/dbraw/zinc/55/05/67/693550567.db2.gz UBABXUXEUZVPGE-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052592776 693574420 /nfs/dbraw/zinc/57/44/20/693574420.db2.gz YUYUEWFSSPOWOS-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765437 693615827 /nfs/dbraw/zinc/61/58/27/693615827.db2.gz ZKBHPALONZORGS-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP CCCCCCCC[C@H]([NH3+])C(=O)Nc1nn(C)c(C)c1C[NH3+] ZINC001343967331 1150789151 /nfs/dbraw/zinc/78/91/51/1150789151.db2.gz ODEIWJZLFJAMOS-AWEZNQCLSA-N 2 0 309.458 2.204 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](CC[NH3+])C1)C(C)C ZINC001356570250 1152090470 /nfs/dbraw/zinc/09/04/70/1152090470.db2.gz RLRLLLNMBHZEIF-DLBZAZTESA-N 2 0 322.497 2.065 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001402782979 1162470943 /nfs/dbraw/zinc/47/09/43/1162470943.db2.gz PHPCLRZUNAEZOU-UHFFFAOYSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001371633902 1155889379 /nfs/dbraw/zinc/88/93/79/1155889379.db2.gz KNEWNFZTFDAXOK-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)CN(CCNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001372816843 1156801605 /nfs/dbraw/zinc/80/16/05/1156801605.db2.gz CZDLMGISQGFPES-HNNXBMFYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001391834934 1156812754 /nfs/dbraw/zinc/81/27/54/1156812754.db2.gz UVWKWBXJMYXUNR-HDJSIYSDSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001393035831 1157623283 /nfs/dbraw/zinc/62/32/83/1157623283.db2.gz KSIZTJHIXSHWEQ-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001375598447 1158824163 /nfs/dbraw/zinc/82/41/63/1158824163.db2.gz VWZSJLADOBCUEI-HIFRSBDPSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001397140639 1160015514 /nfs/dbraw/zinc/01/55/14/1160015514.db2.gz NNRHSNQMTWZKMD-SHTZXODSSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001400170298 1161675260 /nfs/dbraw/zinc/67/52/60/1161675260.db2.gz USXUISWUYMQEPE-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001401971229 1162201776 /nfs/dbraw/zinc/20/17/76/1162201776.db2.gz RYOVNODRYZSZKQ-CQSZACIVSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001407524719 1165181460 /nfs/dbraw/zinc/18/14/60/1165181460.db2.gz AGJCLKGTCMSFOA-QDMKHBRRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)CN1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001418654410 1167866529 /nfs/dbraw/zinc/86/65/29/1167866529.db2.gz AZNCZIGGSUOKMD-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001422665418 1172799966 /nfs/dbraw/zinc/79/99/66/1172799966.db2.gz BLRNBSYPNFBWAU-ZDUSSCGKSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438730885 1180800348 /nfs/dbraw/zinc/80/03/48/1180800348.db2.gz FQBNSBAHEWQOMS-UKRRQHHQSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438771288 1180808593 /nfs/dbraw/zinc/80/85/93/1180808593.db2.gz PJJDFDWRATYUMZ-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001439132271 1180892585 /nfs/dbraw/zinc/89/25/85/1180892585.db2.gz VHJBXKDKFVDAIB-LLVKDONJSA-N 2 0 306.797 2.103 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001441850183 1182213936 /nfs/dbraw/zinc/21/39/36/1182213936.db2.gz AHHXETNOROANMB-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001442138598 1182341366 /nfs/dbraw/zinc/34/13/66/1182341366.db2.gz BAVJVVNOOBLDTD-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001330621166 1149213789 /nfs/dbraw/zinc/21/37/89/1149213789.db2.gz HNHJUQDOYARYPE-ULQDDVLXSA-N 2 0 319.493 2.454 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001332321204 1149848954 /nfs/dbraw/zinc/84/89/54/1149848954.db2.gz HXYNNWFJGXDXNL-AEFFLSMTSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106250246 782571365 /nfs/dbraw/zinc/57/13/65/782571365.db2.gz ZKJUPDIEJVKNKM-NUJGCVRESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964031 779575803 /nfs/dbraw/zinc/57/58/03/779575803.db2.gz SNZXCTUSTWVEHA-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106570939 782790631 /nfs/dbraw/zinc/79/06/31/782790631.db2.gz FQTNTDFIPCTRPS-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106592368 782801628 /nfs/dbraw/zinc/80/16/28/782801628.db2.gz PXGYEZQPVDQSOV-IXDOHACOSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665109 782839624 /nfs/dbraw/zinc/83/96/24/782839624.db2.gz IKAUUVKOKMSUCP-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089420155 783086898 /nfs/dbraw/zinc/08/68/98/783086898.db2.gz KFUVJRYIZVKXRJ-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050381 790418196 /nfs/dbraw/zinc/41/81/96/790418196.db2.gz XMQHXMLKSKISHI-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167233006 776785956 /nfs/dbraw/zinc/78/59/56/776785956.db2.gz XSVMFQZUPINEKB-MRXNPFEDSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104679704 778017598 /nfs/dbraw/zinc/01/75/98/778017598.db2.gz MTEKCSXXLOKERA-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754654 778153084 /nfs/dbraw/zinc/15/30/84/778153084.db2.gz GUFKWRCXOHGESR-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809860 778191821 /nfs/dbraw/zinc/19/18/21/778191821.db2.gz SGOLDJFDPDSJEN-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167759241 778432859 /nfs/dbraw/zinc/43/28/59/778432859.db2.gz HFGPCQZFYWNMNV-UHFFFAOYSA-N 2 0 316.449 2.213 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087621365 779382580 /nfs/dbraw/zinc/38/25/80/779382580.db2.gz RKWGLAGHMNDDAT-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087749950 779437034 /nfs/dbraw/zinc/43/70/34/779437034.db2.gz JRDXNOHHFGDBDB-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130430 779719396 /nfs/dbraw/zinc/71/93/96/779719396.db2.gz NBVXOGYZLLGAQT-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000985646730 779983385 /nfs/dbraw/zinc/98/33/85/779983385.db2.gz KIRDNTFIWCUAJY-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567592 780493154 /nfs/dbraw/zinc/49/31/54/780493154.db2.gz XJXRGSWNVQCNLA-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)CCC1 ZINC001105572349 780771161 /nfs/dbraw/zinc/77/11/61/780771161.db2.gz OUFQCOINFUAXGS-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)CCC1 ZINC001105572350 780771639 /nfs/dbraw/zinc/77/16/39/780771639.db2.gz OUFQCOINFUAXGS-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418652 781257000 /nfs/dbraw/zinc/25/70/00/781257000.db2.gz IQDMWDARPYFBPR-ZWKOTPCHSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106903792 783318293 /nfs/dbraw/zinc/31/82/93/783318293.db2.gz JHGUJDDOJLPVSQ-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001085333050 783642587 /nfs/dbraw/zinc/64/25/87/783642587.db2.gz XJAYEOTUMITIBQ-NWANDNLSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967092179 783881363 /nfs/dbraw/zinc/88/13/63/783881363.db2.gz WMENSYSLDFZOSA-SUMWQHHRSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264159 783915024 /nfs/dbraw/zinc/91/50/24/783915024.db2.gz HHKDFWWRNKQRRI-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639039 783915083 /nfs/dbraw/zinc/91/50/83/783915083.db2.gz GVXAQWPPHWBXAV-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967709214 784098630 /nfs/dbraw/zinc/09/86/30/784098630.db2.gz XLRTXYWQDJOUKK-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461041 784399688 /nfs/dbraw/zinc/39/96/88/784399688.db2.gz ZIQCFONVNWJTER-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086102039 784410876 /nfs/dbraw/zinc/41/08/76/784410876.db2.gz GNZSADUMJSMAIX-ZNMIVQPWSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086367000 784624923 /nfs/dbraw/zinc/62/49/23/784624923.db2.gz UDSGGHJMOVGMJA-ULQDDVLXSA-N 2 0 319.493 2.311 20 30 DEEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000968928580 784655838 /nfs/dbraw/zinc/65/58/38/784655838.db2.gz OYHHSSVDPDCXCV-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086502809 784798427 /nfs/dbraw/zinc/79/84/27/784798427.db2.gz PCAMXUOMBQXQDL-QAETUUGQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008267657 785157542 /nfs/dbraw/zinc/15/75/42/785157542.db2.gz BZZCVQWQZVCBAH-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001091306704 791089606 /nfs/dbraw/zinc/08/96/06/791089606.db2.gz XPTALRSJEQLRCR-UHFFFAOYSA-N 2 0 307.482 2.167 20 30 DEEDRP 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 785503418 /nfs/dbraw/zinc/50/34/18/785503418.db2.gz PELRVAQJWNBHJN-JYJNAYRXSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293465 785794715 /nfs/dbraw/zinc/79/47/15/785794715.db2.gz CQYLEKJWROSERZ-OWSLCNJRSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1ccnc1)C2 ZINC001109431283 785872779 /nfs/dbraw/zinc/87/27/79/785872779.db2.gz HEMBZGMEUAIEOG-LTIDMASMSA-N 2 0 316.449 2.378 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001112920804 786297184 /nfs/dbraw/zinc/29/71/84/786297184.db2.gz LBFLSZFPDINHFZ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001112979838 786341072 /nfs/dbraw/zinc/34/10/72/786341072.db2.gz IYYJSGASMNRKTA-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001113348626 786540078 /nfs/dbraw/zinc/54/00/78/786540078.db2.gz VVGONRSSULEMHR-IAGOWNOFSA-N 2 0 309.498 2.299 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402901 786569789 /nfs/dbraw/zinc/56/97/89/786569789.db2.gz KCRXHQCDRNUDHE-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001113419433 786583102 /nfs/dbraw/zinc/58/31/02/786583102.db2.gz RFIWFJIQFXZKAF-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210582 787965944 /nfs/dbraw/zinc/96/59/44/787965944.db2.gz IGQZGBDGOYGNCQ-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212273 787968164 /nfs/dbraw/zinc/96/81/64/787968164.db2.gz VWGHEVVZGRFEFV-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524509 788113806 /nfs/dbraw/zinc/11/38/06/788113806.db2.gz IEPJJABKMHEOQV-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132889242 788220180 /nfs/dbraw/zinc/22/01/80/788220180.db2.gz YPAUFWRQDFNDRQ-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132949991 788236704 /nfs/dbraw/zinc/23/67/04/788236704.db2.gz IVERFUASMASNGB-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133181867 788308205 /nfs/dbraw/zinc/30/82/05/788308205.db2.gz JXUCZRFLJWAPGG-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133194545 788313610 /nfs/dbraw/zinc/31/36/10/788313610.db2.gz HFXSFOZNTPHHSG-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133225070 788322577 /nfs/dbraw/zinc/32/25/77/788322577.db2.gz GCUBHZZXWYBKMQ-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133245654 788331921 /nfs/dbraw/zinc/33/19/21/788331921.db2.gz IMDRWDVFVXXDQA-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914386 788518404 /nfs/dbraw/zinc/51/84/04/788518404.db2.gz OSEWELMKSIJEET-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086717322 788758698 /nfs/dbraw/zinc/75/86/98/788758698.db2.gz RESPETNELGRBFB-LZLYRXPVSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808781 789098630 /nfs/dbraw/zinc/09/86/30/789098630.db2.gz LUIAJNYDHQUEEW-UONOGXRCSA-N 2 0 312.417 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086734484 789353299 /nfs/dbraw/zinc/35/32/99/789353299.db2.gz JBRAOJHGGADEGX-ZNMIVQPWSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071645886 789838795 /nfs/dbraw/zinc/83/87/95/789838795.db2.gz OSPAPJGLXPQSSE-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820674 789928691 /nfs/dbraw/zinc/92/86/91/789928691.db2.gz BQTGGVANJHNOMA-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398476 791279415 /nfs/dbraw/zinc/27/94/15/791279415.db2.gz OZHBWQNSAZTPPM-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146536524 791306921 /nfs/dbraw/zinc/30/69/21/791306921.db2.gz RTNLDLAFZLURAI-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(=C)C)CC1 ZINC001146612053 791322478 /nfs/dbraw/zinc/32/24/78/791322478.db2.gz PDHSWMFUUGNLLM-IRXDYDNUSA-N 2 0 319.493 2.171 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001146613966 791324152 /nfs/dbraw/zinc/32/41/52/791324152.db2.gz WBBNOZYZYHLIGV-IRXDYDNUSA-N 2 0 319.493 2.171 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001074832278 791333775 /nfs/dbraw/zinc/33/37/75/791333775.db2.gz AOCRHWUJGFSTFA-AJNGGQMLSA-N 2 0 313.873 2.048 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146712735 791347187 /nfs/dbraw/zinc/34/71/87/791347187.db2.gz FHIZKCWNGFGBFD-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147787882 791623804 /nfs/dbraw/zinc/62/38/04/791623804.db2.gz LETWPZAMENNBKQ-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205156 791706679 /nfs/dbraw/zinc/70/66/79/791706679.db2.gz ANHGPLUWHNVWGG-INIZCTEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226512 791715723 /nfs/dbraw/zinc/71/57/23/791715723.db2.gz HQVPMWMFXMAJRX-IAGOWNOFSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086849733 791831540 /nfs/dbraw/zinc/83/15/40/791831540.db2.gz ZAPDJACXWNSCNT-FUHWJXTLSA-N 2 0 319.493 2.169 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086882640 791835111 /nfs/dbraw/zinc/83/51/11/791835111.db2.gz BZOQXSZRYJFLIK-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3ccnc3)C2)CC1 ZINC001086959420 791865074 /nfs/dbraw/zinc/86/50/74/791865074.db2.gz DBTKJKNTWQHGAZ-MRXNPFEDSA-N 2 0 316.449 2.162 20 30 DEEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001093025063 792204511 /nfs/dbraw/zinc/20/45/11/792204511.db2.gz PJWFGBRBYGVCAF-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519264 792229517 /nfs/dbraw/zinc/22/95/17/792229517.db2.gz GZKBPIOFEGQMLK-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 792239603 /nfs/dbraw/zinc/23/96/03/792239603.db2.gz FRTXRIHMASDQBV-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635763 792760202 /nfs/dbraw/zinc/76/02/02/792760202.db2.gz FATOKQBALGVSQX-UQPPLGOBSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001100858501 792884023 /nfs/dbraw/zinc/88/40/23/792884023.db2.gz XLPRDEDSJCBVKJ-UHFFFAOYSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100871584 792888296 /nfs/dbraw/zinc/88/82/96/792888296.db2.gz YIPDQOAAMZDVOQ-UHFFFAOYSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094449349 792928526 /nfs/dbraw/zinc/92/85/26/792928526.db2.gz MYUNLBPWSSZRMP-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037190 792977952 /nfs/dbraw/zinc/97/79/52/792977952.db2.gz CONNFHMVFPACMP-JCYILVPMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272553 793092924 /nfs/dbraw/zinc/09/29/24/793092924.db2.gz QXYVPZIJVPLEMW-AOIWGVFYSA-N 2 0 321.509 2.319 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101353061 793132594 /nfs/dbraw/zinc/13/25/94/793132594.db2.gz QXYVPZIJVPLEMW-LMMKCTJWSA-N 2 0 321.509 2.319 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171603557 793147416 /nfs/dbraw/zinc/14/74/16/793147416.db2.gz BIMZDEKWPPLZTH-MRXNPFEDSA-N 2 0 318.465 2.359 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929018 793263799 /nfs/dbraw/zinc/26/37/99/793263799.db2.gz CEKDEHVRYMKYQA-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102044790 793485779 /nfs/dbraw/zinc/48/57/79/793485779.db2.gz FNQSSNPLZZBUNG-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001094946989 793492870 /nfs/dbraw/zinc/49/28/70/793492870.db2.gz VOHBRZXSCMXAFS-BBWFWOEESA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288556 793560378 /nfs/dbraw/zinc/56/03/78/793560378.db2.gz JLMYREYEOJXLHB-IXDOHACOSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001095031104 793596844 /nfs/dbraw/zinc/59/68/44/793596844.db2.gz WELZEWQWQMWJHS-SZMVWBNQSA-N 2 0 319.493 2.262 20 30 DEEDRP 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 794429456 /nfs/dbraw/zinc/42/94/56/794429456.db2.gz FVJPSGBIHMKGEZ-ZJPYXAASSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206275716 794449224 /nfs/dbraw/zinc/44/92/24/794449224.db2.gz ZHPQHOSCHXKEJE-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001111870759 794508081 /nfs/dbraw/zinc/50/80/81/794508081.db2.gz MPQIHOIBMXOWLI-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161349 794693015 /nfs/dbraw/zinc/69/30/15/794693015.db2.gz CXROZNXWUSKDCT-VQFNDLOPSA-N 2 0 309.498 2.345 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001115759994 794910559 /nfs/dbraw/zinc/91/05/59/794910559.db2.gz IEHZJHAXZFCXJL-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179587370 795138384 /nfs/dbraw/zinc/13/83/84/795138384.db2.gz ZWTONARKHCMFRM-DZGCQCFKSA-N 2 0 315.889 2.203 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422664 795456077 /nfs/dbraw/zinc/45/60/77/795456077.db2.gz NXMBYBXFOFOVAA-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421867 795456114 /nfs/dbraw/zinc/45/61/14/795456114.db2.gz FPDZZZIGEWWYQP-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430148 795458433 /nfs/dbraw/zinc/45/84/33/795458433.db2.gz IPACKNQCANATDL-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1C ZINC001181781378 795538734 /nfs/dbraw/zinc/53/87/34/795538734.db2.gz OWDLDVGFABCUKU-ATNYBXOESA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181895728 795558338 /nfs/dbraw/zinc/55/83/38/795558338.db2.gz DVDVNJYBJUNGFS-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761110 795683675 /nfs/dbraw/zinc/68/36/75/795683675.db2.gz FRORVKOHFJSPDA-RFSHTEQGSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121772899 795686071 /nfs/dbraw/zinc/68/60/71/795686071.db2.gz JYUKRBNOGWPBGS-VFIJXHPYSA-N 2 0 319.493 2.167 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC001121895956 795700692 /nfs/dbraw/zinc/70/06/92/795700692.db2.gz KCHDIXUTUHDBDC-ZGJUNIKESA-N 2 0 316.449 2.181 20 30 DEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001121915050 795703116 /nfs/dbraw/zinc/70/31/16/795703116.db2.gz AMYMXMBFFYZQAK-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001182598307 795708786 /nfs/dbraw/zinc/70/87/86/795708786.db2.gz AJTLBAPMKNGZQA-ZIFCJYIRSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122249179 795739321 /nfs/dbraw/zinc/73/93/21/795739321.db2.gz OUBFQIUULAWBQK-RFSHTEQGSA-N 2 0 319.493 2.310 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183268296 795843427 /nfs/dbraw/zinc/84/34/27/795843427.db2.gz SOEJIGASHFUNHB-SJORKVTESA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183869128 795956140 /nfs/dbraw/zinc/95/61/40/795956140.db2.gz RZNIQUXFAGUYNA-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168697 796201182 /nfs/dbraw/zinc/20/11/82/796201182.db2.gz IUYQPJYXAZSJHG-IAGOWNOFSA-N 2 0 321.509 2.062 20 30 DEEDRP C#CCOc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001138346428 796201734 /nfs/dbraw/zinc/20/17/34/796201734.db2.gz DEITVVIHZXBLFR-LJQANCHMSA-N 2 0 314.429 2.235 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185682792 796303756 /nfs/dbraw/zinc/30/37/56/796303756.db2.gz UFAFMLFIRKGCBA-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082303 796354423 /nfs/dbraw/zinc/35/44/23/796354423.db2.gz JMJAVFDAISXSTB-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305236 796522281 /nfs/dbraw/zinc/52/22/81/796522281.db2.gz SBLSIPIGOCDLGQ-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(C#N)c1Cl ZINC001140811875 796577267 /nfs/dbraw/zinc/57/72/67/796577267.db2.gz ZTJIKLKLFHWKDK-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346440 796660251 /nfs/dbraw/zinc/66/02/51/796660251.db2.gz OGCWTCGBSOFEHM-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001203282450 796736653 /nfs/dbraw/zinc/73/66/53/796736653.db2.gz GFBOAOAFZYJYHY-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454533 796833436 /nfs/dbraw/zinc/83/34/36/796833436.db2.gz VKSZCPOTBKOQNW-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190742184 797066777 /nfs/dbraw/zinc/06/67/77/797066777.db2.gz BNAZBMNSBNMIOF-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190889415 797102230 /nfs/dbraw/zinc/10/22/30/797102230.db2.gz KASNFTSBVFOSDP-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029470 797126240 /nfs/dbraw/zinc/12/62/40/797126240.db2.gz JCAAIENVNKXGAL-KRWDZBQOSA-N 2 0 316.449 2.017 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152245493 797162090 /nfs/dbraw/zinc/16/20/90/797162090.db2.gz HYXOWLPCOORTFR-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393367 797182718 /nfs/dbraw/zinc/18/27/18/797182718.db2.gz KCLHDRPTAOEGBL-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680149 797430279 /nfs/dbraw/zinc/43/02/79/797430279.db2.gz LSUKRHOFPHHBEO-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099460 797462957 /nfs/dbraw/zinc/46/29/57/797462957.db2.gz KDDUEINLOYJMAC-MRXNPFEDSA-N 2 0 321.509 2.489 20 30 DEEDRP CSc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1C#N ZINC001205627578 797538252 /nfs/dbraw/zinc/53/82/52/797538252.db2.gz QXQVFGPOIXQZAY-QWHCGFSZSA-N 2 0 304.463 2.482 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481807 797542343 /nfs/dbraw/zinc/54/23/43/797542343.db2.gz VHWRGJNLKRWZRZ-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001195652675 797939763 /nfs/dbraw/zinc/93/97/63/797939763.db2.gz SZKAPUYQVVKHPA-OAHLLOKOSA-N 2 0 304.438 2.231 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001196295997 798036755 /nfs/dbraw/zinc/03/67/55/798036755.db2.gz WVYFACHTFXCKRQ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP Cc1c(Cl)c(Cl)nc(NC(=N)NCCCC[NH3+])c1C#N ZINC001157094776 798143165 /nfs/dbraw/zinc/14/31/65/798143165.db2.gz VXMIMJDJJUHONQ-UHFFFAOYSA-N 2 0 315.208 2.244 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197817900 798247847 /nfs/dbraw/zinc/24/78/47/798247847.db2.gz SXRGUJSCGSEPQR-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158378114 798397724 /nfs/dbraw/zinc/39/77/24/798397724.db2.gz YCAZSCQWBVLMKQ-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1cncn1C ZINC001158806639 798471795 /nfs/dbraw/zinc/47/17/95/798471795.db2.gz MKCXCDWIZPZJJZ-QGZVFWFLSA-N 2 0 318.465 2.242 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159170850 798533122 /nfs/dbraw/zinc/53/31/22/798533122.db2.gz OVDLQIJPKULXHK-UHFFFAOYSA-N 2 0 309.479 2.485 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200506914 798642876 /nfs/dbraw/zinc/64/28/76/798642876.db2.gz IWLWTRXHNSIRJT-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001200893805 798688559 /nfs/dbraw/zinc/68/85/59/798688559.db2.gz IWAFEHNQRAEUEO-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)CN1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160473692 798693569 /nfs/dbraw/zinc/69/35/69/798693569.db2.gz LXJLPNXWXNDXBG-OAHLLOKOSA-N 2 0 313.873 2.218 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201238612 798724159 /nfs/dbraw/zinc/72/41/59/798724159.db2.gz BRXNCHMBLPZMGM-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029036 798782607 /nfs/dbraw/zinc/78/26/07/798782607.db2.gz KOFSMJODDUPMFI-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793609 798798337 /nfs/dbraw/zinc/79/83/37/798798337.db2.gz GDGCSXJZCBISDG-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161750144 798929073 /nfs/dbraw/zinc/92/90/73/798929073.db2.gz YOCYXTVVHJGFSI-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406967 799090666 /nfs/dbraw/zinc/09/06/66/799090666.db2.gz OCMHGLFJNOGCIV-FVQHAEBGSA-N 2 0 321.509 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163268023 799292448 /nfs/dbraw/zinc/29/24/48/799292448.db2.gz XRQFFLGWYVGSIU-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1ccc2c(n1)CC[NH2+]C2 ZINC001163466518 799352354 /nfs/dbraw/zinc/35/23/54/799352354.db2.gz RRYKOTUVFAEIPM-UHFFFAOYSA-N 2 0 309.417 2.217 20 30 DEEDRP CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095662838 799685707 /nfs/dbraw/zinc/68/57/07/799685707.db2.gz VUEKDZGDOAPDBS-JLSDUUJJSA-N 2 0 322.412 2.001 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165465211 799734366 /nfs/dbraw/zinc/73/43/66/799734366.db2.gz XRKXLRBRDOZGMF-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912849 799793599 /nfs/dbraw/zinc/79/35/99/799793599.db2.gz VNVGYDWUYAUCRT-UHFFFAOYSA-N 2 0 312.417 2.318 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791397 800123770 /nfs/dbraw/zinc/12/37/70/800123770.db2.gz IEIQGUUFMCRAGC-HZPDHXFCSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284189 800336687 /nfs/dbraw/zinc/33/66/87/800336687.db2.gz KAWWESATAZHOFN-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590806 800381847 /nfs/dbraw/zinc/38/18/47/800381847.db2.gz SXMRGXMEHBONNA-UHFFFAOYSA-N 2 0 312.417 2.271 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206125903 800476905 /nfs/dbraw/zinc/47/69/05/800476905.db2.gz LKWVWWMMLOQVCF-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628847 800567995 /nfs/dbraw/zinc/56/79/95/800567995.db2.gz XGDCINVRIMZOIU-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP 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 800854624 /nfs/dbraw/zinc/85/46/24/800854624.db2.gz WRLWGTIHJMRABG-WCXIOVBPSA-N 2 0 307.482 2.260 20 30 DEEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001208176467 800924601 /nfs/dbraw/zinc/92/46/01/800924601.db2.gz DQYOEGJLNGIOQT-GOSISDBHSA-N 2 0 319.493 2.385 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001229186523 801238945 /nfs/dbraw/zinc/23/89/45/801238945.db2.gz XMIFWLLCZJXZMM-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001229194636 801240817 /nfs/dbraw/zinc/24/08/17/801240817.db2.gz PPVJSUQGTQPWON-KURKYZTESA-N 2 0 321.509 2.393 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428038 801400543 /nfs/dbraw/zinc/40/05/43/801400543.db2.gz LOLXUWPNLPCETD-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612713 801436385 /nfs/dbraw/zinc/43/63/85/801436385.db2.gz DWXPLWVUVHHWNZ-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612503 801436806 /nfs/dbraw/zinc/43/68/06/801436806.db2.gz BVLYIDJWODIBPR-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261840 801539541 /nfs/dbraw/zinc/53/95/41/801539541.db2.gz DULSPLYNIDTZLR-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215019599 801792309 /nfs/dbraw/zinc/79/23/09/801792309.db2.gz ABCVYXQDATZTEZ-NVXWUHKLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215564009 801877233 /nfs/dbraw/zinc/87/72/33/801877233.db2.gz XDUHHRYDBATFEO-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP Cc1cc(N2CC[NH+](Cc3cc(C#N)ccc3[O-])CC2)cc[nH+]1 ZINC001232680578 801940064 /nfs/dbraw/zinc/94/00/64/801940064.db2.gz FGOGIJZGPGGXNY-UHFFFAOYSA-N 2 0 308.385 2.290 20 30 DEEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001219044750 802277587 /nfs/dbraw/zinc/27/75/87/802277587.db2.gz JUYGSFXAFURWQJ-HNNXBMFYSA-N 2 0 313.405 2.037 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234644365 802439576 /nfs/dbraw/zinc/43/95/76/802439576.db2.gz TXYDXQDAODNQQZ-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799804 802499287 /nfs/dbraw/zinc/49/92/87/802499287.db2.gz HHQMWAWQQFZRFP-RWMBFGLXSA-N 2 0 321.387 2.107 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225542721 802979508 /nfs/dbraw/zinc/97/95/08/802979508.db2.gz NNBFQZISSJZPKE-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001225563298 802982020 /nfs/dbraw/zinc/98/20/20/802982020.db2.gz ANCKQPRXRFMPME-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225577265 802985255 /nfs/dbraw/zinc/98/52/55/802985255.db2.gz CEELRBFOMPDGCU-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225652352 802996332 /nfs/dbraw/zinc/99/63/32/802996332.db2.gz CHPQZYNQUCSDIY-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001227203401 803215363 /nfs/dbraw/zinc/21/53/63/803215363.db2.gz QYLSYHYICALEEW-IAGOWNOFSA-N 2 0 319.493 2.290 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001228448517 803362293 /nfs/dbraw/zinc/36/22/93/803362293.db2.gz LCCFZRWZZVPAIC-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001331054956 1149369866 /nfs/dbraw/zinc/36/98/66/1149369866.db2.gz YLIVZQDCTXHUBJ-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336017604 1150591188 /nfs/dbraw/zinc/59/11/88/1150591188.db2.gz ISXDSMJXOGOCPQ-INIZCTEOSA-N 2 0 314.433 2.208 20 30 DEEDRP C=CC[C@]1(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CCC[NH2+]1 ZINC001344949296 1150853683 /nfs/dbraw/zinc/85/36/83/1150853683.db2.gz XPXHOIPIYPBGEX-VMWRSERWSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328749196 1148830774 /nfs/dbraw/zinc/83/07/74/1148830774.db2.gz KANRXGUHSGIRPO-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001499858035 1058329829 /nfs/dbraw/zinc/32/98/29/1058329829.db2.gz QQOISNXAOQKLSK-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001499987092 1058419170 /nfs/dbraw/zinc/41/91/70/1058419170.db2.gz YQKMZIOQTNPRMK-HNNXBMFYSA-N 2 0 313.461 2.213 20 30 DEEDRP C#CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462546051 1058847467 /nfs/dbraw/zinc/84/74/67/1058847467.db2.gz KEMOVUGEBPPUCW-NEWSRXKRSA-N 2 0 300.446 2.261 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001501399190 1059488984 /nfs/dbraw/zinc/48/89/84/1059488984.db2.gz CMWUYMISPXBJMP-FGTMMUONSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001501661506 1059619094 /nfs/dbraw/zinc/61/90/94/1059619094.db2.gz ZGJDULUVYHYPCC-SFHVURJKSA-N 2 0 315.461 2.405 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001479349073 1061405100 /nfs/dbraw/zinc/40/51/00/1061405100.db2.gz XAYWFTYSIJVNDZ-MAEOIBBWSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479739673 1061668430 /nfs/dbraw/zinc/66/84/30/1061668430.db2.gz HMNCLHUTYIQRIA-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001479778303 1061743016 /nfs/dbraw/zinc/74/30/16/1061743016.db2.gz SAXNIWMMRWPIJY-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)CC1CC[NH+](C)CC1 ZINC001506548726 1062115008 /nfs/dbraw/zinc/11/50/08/1062115008.db2.gz KVXVTPHMPSDBHB-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001479971193 1062129720 /nfs/dbraw/zinc/12/97/20/1062129720.db2.gz MDMKYBALJKFYLZ-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001480051602 1062244883 /nfs/dbraw/zinc/24/48/83/1062244883.db2.gz SQYWTLLMTWMZBP-DLBZAZTESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001506901613 1062489140 /nfs/dbraw/zinc/48/91/40/1062489140.db2.gz FZCXKKKJTOPPFS-KBAYOESNSA-N 2 0 315.461 2.350 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480287985 1062590576 /nfs/dbraw/zinc/59/05/76/1062590576.db2.gz YOGLJSXKRRCPQK-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001506960842 1062601677 /nfs/dbraw/zinc/60/16/77/1062601677.db2.gz DFDHTGUQDISHSX-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480301889 1062608631 /nfs/dbraw/zinc/60/86/31/1062608631.db2.gz BFFHJFMSZLMWKB-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480385277 1062768317 /nfs/dbraw/zinc/76/83/17/1062768317.db2.gz ZMCANHLFJYEELH-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 1062795596 /nfs/dbraw/zinc/79/55/96/1062795596.db2.gz QZCPPOWEYVQDOE-WKULXVSPSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001480595504 1063084088 /nfs/dbraw/zinc/08/40/88/1063084088.db2.gz BPTKIZPPOSIJGU-ZDUSSCGKSA-N 2 0 309.841 2.209 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001480669104 1063164835 /nfs/dbraw/zinc/16/48/35/1063164835.db2.gz APOPALCIRHJFGP-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001507969313 1063483939 /nfs/dbraw/zinc/48/39/39/1063483939.db2.gz GIZQGDFPWMNOHV-SJORKVTESA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001493209813 1063642784 /nfs/dbraw/zinc/64/27/84/1063642784.db2.gz COHXSEQKZVBTCM-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001493827256 1063979568 /nfs/dbraw/zinc/97/95/68/1063979568.db2.gz LZRLMLQCSUBQDR-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001494044230 1064100242 /nfs/dbraw/zinc/10/02/42/1064100242.db2.gz WTIALGQSGNLQKZ-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494139765 1064136663 /nfs/dbraw/zinc/13/66/63/1064136663.db2.gz CWJCQUCLRJJPKU-MRXNPFEDSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001494178235 1064159750 /nfs/dbraw/zinc/15/97/50/1064159750.db2.gz HSSGBWGRSJEBRI-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567976714 1064572215 /nfs/dbraw/zinc/57/22/15/1064572215.db2.gz IWGJDOKSJWYQGK-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C[C@H](CC)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001610977599 1078093193 /nfs/dbraw/zinc/09/31/93/1078093193.db2.gz GJIXMYASDJRPLX-IAGOWNOFSA-N 2 0 309.498 2.463 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568057377 1064622794 /nfs/dbraw/zinc/62/27/94/1064622794.db2.gz SHHUBHNUULZQLM-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001568067770 1064629660 /nfs/dbraw/zinc/62/96/60/1064629660.db2.gz INFSLAPOVWLQQR-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001568253606 1064730165 /nfs/dbraw/zinc/73/01/65/1064730165.db2.gz KMESUPDQYXHKOZ-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568385438 1064827874 /nfs/dbraw/zinc/82/78/74/1064827874.db2.gz FRMIZNPLNHPEOE-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001568393095 1064832506 /nfs/dbraw/zinc/83/25/06/1064832506.db2.gz CWSBHAJJQGEYHW-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001568434327 1064868200 /nfs/dbraw/zinc/86/82/00/1064868200.db2.gz MJKBYFWATIKUKZ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001568434328 1064869089 /nfs/dbraw/zinc/86/90/89/1064869089.db2.gz MJKBYFWATIKUKZ-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001568435413 1064870190 /nfs/dbraw/zinc/87/01/90/1064870190.db2.gz YIVYKGUALWRTSC-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001495581397 1064991415 /nfs/dbraw/zinc/99/14/15/1064991415.db2.gz OWBVIRQBDHFFIW-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569203450 1065363528 /nfs/dbraw/zinc/36/35/28/1065363528.db2.gz VBEOEOZECKIJOF-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCCC1 ZINC001496320325 1065406264 /nfs/dbraw/zinc/40/62/64/1065406264.db2.gz KIQXVARZKRWDCU-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001569310312 1065422756 /nfs/dbraw/zinc/42/27/56/1065422756.db2.gz ZUYRXVMEHJRHIZ-NVXWUHKLSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001569317908 1065425827 /nfs/dbraw/zinc/42/58/27/1065425827.db2.gz HFMQTOSWVCCKLG-PBHICJAKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569379631 1065474562 /nfs/dbraw/zinc/47/45/62/1065474562.db2.gz FEWFVVJXYBITBR-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001569449146 1065515501 /nfs/dbraw/zinc/51/55/01/1065515501.db2.gz WHCIVFKGYJDWSQ-SJORKVTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001569518696 1065562647 /nfs/dbraw/zinc/56/26/47/1065562647.db2.gz KVJIVJWPEGHKAA-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001569518694 1065562826 /nfs/dbraw/zinc/56/28/26/1065562826.db2.gz KVJIVJWPEGHKAA-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001569828912 1065749170 /nfs/dbraw/zinc/74/91/70/1065749170.db2.gz QDTYIBUXFRPRBU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP 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 1065774318 /nfs/dbraw/zinc/77/43/18/1065774318.db2.gz ICBCZSAJYATVLS-FJIDUMEYSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001569880057 1065789232 /nfs/dbraw/zinc/78/92/32/1065789232.db2.gz LJPMGEJNWKHSRY-NXOAAHMSSA-N 2 0 307.482 2.072 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001569994338 1065868775 /nfs/dbraw/zinc/86/87/75/1065868775.db2.gz HOLDDTMEUKFBRQ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001570013572 1065880481 /nfs/dbraw/zinc/88/04/81/1065880481.db2.gz NFNJJEUHABUVNE-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001570014045 1065883276 /nfs/dbraw/zinc/88/32/76/1065883276.db2.gz XDQDHJPAHCMGBJ-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001570260545 1065993884 /nfs/dbraw/zinc/99/38/84/1065993884.db2.gz BLADDZQVAPVCMG-HUUCEWRRSA-N 2 0 316.449 2.070 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001570275377 1066001449 /nfs/dbraw/zinc/00/14/49/1066001449.db2.gz VRGFRQKIYNWNED-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001570379660 1066040373 /nfs/dbraw/zinc/04/03/73/1066040373.db2.gz WACGCCRDOJTIRP-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497384558 1066065529 /nfs/dbraw/zinc/06/55/29/1066065529.db2.gz YNCCHCDCSHUYJT-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497841925 1066357338 /nfs/dbraw/zinc/35/73/38/1066357338.db2.gz BLRNBSYPNFBWAU-CYBMUJFWSA-N 2 0 315.889 2.486 20 30 DEEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC001576182281 1066513989 /nfs/dbraw/zinc/51/39/89/1066513989.db2.gz URBQIXLFASTIJQ-BHYGNILZSA-N 2 0 316.449 2.205 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498497866 1066746766 /nfs/dbraw/zinc/74/67/66/1066746766.db2.gz RXSFTMZZGSEQPX-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001266984127 1078480972 /nfs/dbraw/zinc/48/09/72/1078480972.db2.gz VPDSRYHKSDISLF-DOTOQJQBSA-N 2 0 303.450 2.350 20 30 DEEDRP N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC001580035807 1067478043 /nfs/dbraw/zinc/47/80/43/1067478043.db2.gz HCRXPRDBIMBDEX-CRAIPNDOSA-N 2 0 316.424 2.008 20 30 DEEDRP N#Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC001580062420 1067485890 /nfs/dbraw/zinc/48/58/90/1067485890.db2.gz YLPLEAJMFFODOR-ZVZYQTTQSA-N 2 0 317.408 2.416 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1F ZINC001580075963 1067490520 /nfs/dbraw/zinc/49/05/20/1067490520.db2.gz LZYJJAYWFCOQRM-IAGOWNOFSA-N 2 0 317.408 2.416 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267132760 1078604643 /nfs/dbraw/zinc/60/46/43/1078604643.db2.gz SCFYJLIPZYNJSV-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591200 1078614893 /nfs/dbraw/zinc/61/48/93/1078614893.db2.gz AWWDICBVMUIMNF-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267163864 1078627842 /nfs/dbraw/zinc/62/78/42/1078627842.db2.gz BGOFYHFUWSDXRN-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001570534992 1067991685 /nfs/dbraw/zinc/99/16/85/1067991685.db2.gz UQDJFDRGOSGCRC-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CC ZINC001483618572 1078634403 /nfs/dbraw/zinc/63/44/03/1078634403.db2.gz OYBJFUUEDZMGCP-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001570679119 1068065623 /nfs/dbraw/zinc/06/56/23/1068065623.db2.gz HFYIBAGBWJXONW-UHFFFAOYSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001570828658 1068131948 /nfs/dbraw/zinc/13/19/48/1068131948.db2.gz QGPSNZOUMGYGJX-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001570834708 1068133242 /nfs/dbraw/zinc/13/32/42/1068133242.db2.gz HGCVBLWOXIZWFX-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001570841396 1068136634 /nfs/dbraw/zinc/13/66/34/1068136634.db2.gz LOHXUYDJXGKWBL-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570907270 1068155819 /nfs/dbraw/zinc/15/58/19/1068155819.db2.gz CYXOQGJGKQCQKZ-CVEARBPZSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001571017379 1068173360 /nfs/dbraw/zinc/17/33/60/1068173360.db2.gz ZBKZLZQLPWPGPS-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001571326722 1068222040 /nfs/dbraw/zinc/22/20/40/1068222040.db2.gz ZXVCXMIRTRCSPJ-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001571326486 1068223100 /nfs/dbraw/zinc/22/31/00/1068223100.db2.gz VRLYNGKUHIDHDM-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[NH+](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001571331202 1068226831 /nfs/dbraw/zinc/22/68/31/1068226831.db2.gz MMJDEEZOUHYYHA-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001571639421 1068454241 /nfs/dbraw/zinc/45/42/41/1068454241.db2.gz NQZIYHFUXQXBKC-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571683581 1068477805 /nfs/dbraw/zinc/47/78/05/1068477805.db2.gz KDQRWCYGFSIRBW-NVXWUHKLSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001483705824 1078830842 /nfs/dbraw/zinc/83/08/42/1078830842.db2.gz JIRHOIUUPVMUAC-SJORKVTESA-N 2 0 301.434 2.056 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001267510500 1078939872 /nfs/dbraw/zinc/93/98/72/1078939872.db2.gz SCQUSQTTXVNADS-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001267510503 1078940447 /nfs/dbraw/zinc/94/04/47/1078940447.db2.gz SCQUSQTTXVNADS-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267536378 1078965789 /nfs/dbraw/zinc/96/57/89/1078965789.db2.gz RSECNPJLGSICIQ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267556866 1078989583 /nfs/dbraw/zinc/98/95/83/1078989583.db2.gz VUBBAADFZWYORQ-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001483805699 1079133855 /nfs/dbraw/zinc/13/38/55/1079133855.db2.gz VOGFZWCRVLKNTO-AYHJJNSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001483832697 1079141948 /nfs/dbraw/zinc/14/19/48/1079141948.db2.gz MQUCBTUAHLCYOO-SFHVURJKSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484103509 1079303605 /nfs/dbraw/zinc/30/36/05/1079303605.db2.gz VOPGATMXSYBSPN-GOSISDBHSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484138150 1079318626 /nfs/dbraw/zinc/31/86/26/1079318626.db2.gz QSFDADDCEAYEQJ-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566745689 1075000570 /nfs/dbraw/zinc/00/05/70/1075000570.db2.gz RQCPKVXHYHWZKK-SJORKVTESA-N 2 0 309.498 2.319 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267683642 1079372120 /nfs/dbraw/zinc/37/21/20/1079372120.db2.gz SHCZTCSTLRLCOX-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001566077794 1075225494 /nfs/dbraw/zinc/22/54/94/1075225494.db2.gz OKSBJXWVWCMPNI-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267689273 1079377118 /nfs/dbraw/zinc/37/71/18/1079377118.db2.gz CWCDEWVDNNEQHD-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566668880 1075310512 /nfs/dbraw/zinc/31/05/12/1075310512.db2.gz DONULDRSMZJNJJ-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001566674519 1075312988 /nfs/dbraw/zinc/31/29/88/1075312988.db2.gz SZVGTAMXRXZALJ-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267701015 1079388165 /nfs/dbraw/zinc/38/81/65/1079388165.db2.gz LXQVXJJEVBSNNB-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566740577 1075331879 /nfs/dbraw/zinc/33/18/79/1075331879.db2.gz ZJXNORUZBAZKBI-BRWVUGGUSA-N 2 0 307.482 2.073 20 30 DEEDRP 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 1075404156 /nfs/dbraw/zinc/40/41/56/1075404156.db2.gz XBXIFKZBARJHDJ-HTPGKPQGSA-N 2 0 319.493 2.118 20 30 DEEDRP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001567016209 1075416786 /nfs/dbraw/zinc/41/67/86/1075416786.db2.gz FFGOSPJEJSOQAD-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001329460272 1148897443 /nfs/dbraw/zinc/89/74/43/1148897443.db2.gz PXMCDTBADKYQIE-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]C[C@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001267861052 1079548352 /nfs/dbraw/zinc/54/83/52/1079548352.db2.gz VXQUIRABXPZYCI-LPHOPBHVSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484398340 1079586632 /nfs/dbraw/zinc/58/66/32/1079586632.db2.gz ZSTLVRKAAAGZAN-ULQDDVLXSA-N 2 0 307.482 2.026 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001267926810 1079608291 /nfs/dbraw/zinc/60/82/91/1079608291.db2.gz YIVXYFHDUQRXRK-WKILWMFISA-N 2 0 324.428 2.297 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001481355954 1079752427 /nfs/dbraw/zinc/75/24/27/1079752427.db2.gz FMWVZJPVCNWHON-GOSISDBHSA-N 2 0 321.509 2.491 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001484982735 1079895676 /nfs/dbraw/zinc/89/56/76/1079895676.db2.gz TVNZQWLLKAJMHF-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481493403 1079949610 /nfs/dbraw/zinc/94/96/10/1079949610.db2.gz YDSOXMOPYMTNJL-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001485094981 1079977061 /nfs/dbraw/zinc/97/70/61/1079977061.db2.gz PJUICBREGKVWPU-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001279253866 1080071853 /nfs/dbraw/zinc/07/18/53/1080071853.db2.gz KGRKYDVGYHFPGO-BRSBDYLESA-N 2 0 321.509 2.415 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001656908648 1080137399 /nfs/dbraw/zinc/13/73/99/1080137399.db2.gz JGAYANGRFNGWAR-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001485436982 1080206982 /nfs/dbraw/zinc/20/69/82/1080206982.db2.gz BRBYORBLRJANNH-MSOLQXFVSA-N 2 0 321.509 2.345 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001485455534 1080217691 /nfs/dbraw/zinc/21/76/91/1080217691.db2.gz NWGQXNHBMIISTI-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP 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 1080350225 /nfs/dbraw/zinc/35/02/25/1080350225.db2.gz VGSUCCZDRJIQAE-GVDBMIGSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001660988096 1080423472 /nfs/dbraw/zinc/42/34/72/1080423472.db2.gz FZXXWWBUIOILBB-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001661435340 1080481023 /nfs/dbraw/zinc/48/10/23/1080481023.db2.gz OEZVBORFMLMYRY-ZOBUZTSGSA-N 2 0 305.466 2.206 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001662116795 1080570780 /nfs/dbraw/zinc/57/07/80/1080570780.db2.gz DNHXOFLKZBQXMO-UHFFFAOYSA-N 2 0 324.428 2.297 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001481906744 1080596012 /nfs/dbraw/zinc/59/60/12/1080596012.db2.gz QTVAMBRNSZCZJX-CQSZACIVSA-N 2 0 304.438 2.326 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001662630872 1080624218 /nfs/dbraw/zinc/62/42/18/1080624218.db2.gz PWXXITIEEUIRKI-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001662675918 1080632594 /nfs/dbraw/zinc/63/25/94/1080632594.db2.gz UXQKTMPZUOKZED-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001662796957 1080658097 /nfs/dbraw/zinc/65/80/97/1080658097.db2.gz JNVUGKWCKUIBEI-IRXDYDNUSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001662867038 1080669397 /nfs/dbraw/zinc/66/93/97/1080669397.db2.gz DQFVSWDUQMTRRW-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482049841 1080749557 /nfs/dbraw/zinc/74/95/57/1080749557.db2.gz LEFWVOWUGIYUQV-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C(C)C ZINC001664517064 1080920979 /nfs/dbraw/zinc/92/09/79/1080920979.db2.gz SJRISFDIRKTMJS-SFHVURJKSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCCC)C2)CC1 ZINC001665686280 1081063768 /nfs/dbraw/zinc/06/37/68/1081063768.db2.gz GWEFTCYSUREYMN-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001666134835 1081127369 /nfs/dbraw/zinc/12/73/69/1081127369.db2.gz GZWSSTYUAIAVLW-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001666759824 1081179113 /nfs/dbraw/zinc/17/91/13/1081179113.db2.gz LRFHNGUYGNKMAZ-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001269326914 1081213426 /nfs/dbraw/zinc/21/34/26/1081213426.db2.gz OWBZEHDNOXKCSY-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001482213736 1081217513 /nfs/dbraw/zinc/21/75/13/1081217513.db2.gz XOXHBPJBYZKQFP-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001667353599 1081242244 /nfs/dbraw/zinc/24/22/44/1081242244.db2.gz VHJHNOKGAGHYKO-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001667643841 1081269351 /nfs/dbraw/zinc/26/93/51/1081269351.db2.gz UKVGFKCFNVSXDQ-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269643928 1081319819 /nfs/dbraw/zinc/31/98/19/1081319819.db2.gz AEQTYZPZCSFZME-YJBOKZPZSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269643923 1081319870 /nfs/dbraw/zinc/31/98/70/1081319870.db2.gz AEQTYZPZCSFZME-MAUKXSAKSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001269839371 1081379098 /nfs/dbraw/zinc/37/90/98/1081379098.db2.gz PAYADHKJNUAHTI-PMPSAXMXSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001284718856 1081404573 /nfs/dbraw/zinc/40/45/73/1081404573.db2.gz GRWPJUQHSAATGH-RDJZCZTQSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812365 1081408411 /nfs/dbraw/zinc/40/84/11/1081408411.db2.gz KLKOKCHEMVOVLX-VSZNYVQBSA-N 2 0 317.477 2.158 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001270118630 1081454409 /nfs/dbraw/zinc/45/44/09/1081454409.db2.gz STYZCQPTVJQVTM-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC)CC1 ZINC001270358657 1081508857 /nfs/dbraw/zinc/50/88/57/1081508857.db2.gz LXNIEYRVNAHCDG-SJLPKXTDSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001671599605 1081525138 /nfs/dbraw/zinc/52/51/38/1081525138.db2.gz ZCJVNVNRGFSCHC-GOSISDBHSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001270511370 1081540367 /nfs/dbraw/zinc/54/03/67/1081540367.db2.gz AKJDSPCUYAVQBZ-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC)CC2)CC1 ZINC001672995335 1081731046 /nfs/dbraw/zinc/73/10/46/1081731046.db2.gz YKCXZQHBRNAXJB-SAABIXHNSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674463901 1081875839 /nfs/dbraw/zinc/87/58/39/1081875839.db2.gz VNSZKPUKYIGJCT-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001271021975 1081878648 /nfs/dbraw/zinc/87/86/48/1081878648.db2.gz XJCDXLPCSKPRRE-ZDUSSCGKSA-N 2 0 300.406 2.269 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499220 1081883248 /nfs/dbraw/zinc/88/32/48/1081883248.db2.gz FOICPXIKRUGCHC-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001674611487 1081894694 /nfs/dbraw/zinc/89/46/94/1081894694.db2.gz HMHWHCMEPPNFGL-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001482478535 1081971605 /nfs/dbraw/zinc/97/16/05/1081971605.db2.gz NOFCVZDSMQKCCU-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266333008 1081976767 /nfs/dbraw/zinc/97/67/67/1081976767.db2.gz FFBBFZLOYXXQSV-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001271560824 1082081186 /nfs/dbraw/zinc/08/11/86/1082081186.db2.gz MNYIKOFPHJKBFA-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001271591820 1082088209 /nfs/dbraw/zinc/08/82/09/1082088209.db2.gz NELLOKJYXNRPAV-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001271665160 1082104593 /nfs/dbraw/zinc/10/45/93/1082104593.db2.gz IQFFRMJBOUSVNS-SJORKVTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[NH+](C)CCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001482506595 1082128072 /nfs/dbraw/zinc/12/80/72/1082128072.db2.gz DYHXNSQLCYSKMS-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001271765339 1082149040 /nfs/dbraw/zinc/14/90/40/1082149040.db2.gz XINZQYHXBOZMBO-BQFCYCMXSA-N 2 0 319.493 2.026 20 30 DEEDRP C=CCC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001271790455 1082154691 /nfs/dbraw/zinc/15/46/91/1082154691.db2.gz KWYTXPGUKMMKOF-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001480884349 1082158248 /nfs/dbraw/zinc/15/82/48/1082158248.db2.gz RNHJLQSFVKZSTB-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001271891204 1082182276 /nfs/dbraw/zinc/18/22/76/1082182276.db2.gz IEBLILRXYPWMOX-KURKYZTESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266601766 1082188478 /nfs/dbraw/zinc/18/84/78/1082188478.db2.gz MFCYFTWQNWNVMC-BRWVUGGUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001266884570 1082429693 /nfs/dbraw/zinc/42/96/93/1082429693.db2.gz QJSIFYMSRRUPPC-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266915542 1082450452 /nfs/dbraw/zinc/45/04/52/1082450452.db2.gz JTWNAFSHEIFNOZ-GTPINHCMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482833170 1082524338 /nfs/dbraw/zinc/52/43/38/1082524338.db2.gz ZEMFCLYFZJBLBU-ZIAGYGMSSA-N 2 0 301.862 2.096 20 30 DEEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001505950943 1082546483 /nfs/dbraw/zinc/54/64/83/1082546483.db2.gz OHYVVZDSMYBURB-HNNXBMFYSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483011543 1082623778 /nfs/dbraw/zinc/62/37/78/1082623778.db2.gz QJARARRVBDNMRN-QWPQOLDESA-N 2 0 319.493 2.479 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439056 1083395482 /nfs/dbraw/zinc/39/54/82/1083395482.db2.gz PWNQMYYSHZTTEA-ZHALLVOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609240 1083515611 /nfs/dbraw/zinc/51/56/11/1083515611.db2.gz KFFUHQOIKNTSCA-ZHALLVOQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001276839591 1083639870 /nfs/dbraw/zinc/63/98/70/1083639870.db2.gz KQEMCDAZUDDWKU-BZSNNMDCSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCCC[NH+]1CC2(C[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276885428 1083663405 /nfs/dbraw/zinc/66/34/05/1083663405.db2.gz LLNJAOYUXMIOJL-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001272763882 1083971431 /nfs/dbraw/zinc/97/14/31/1083971431.db2.gz XVXFSLBNFSRGPA-BZSNNMDCSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277473667 1083992659 /nfs/dbraw/zinc/99/26/59/1083992659.db2.gz HTRGUHUXRHVJOY-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001491055424 1084039244 /nfs/dbraw/zinc/03/92/44/1084039244.db2.gz NPBZLYHSMCHYSW-HDICACEKSA-N 2 0 315.461 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001277647597 1084075809 /nfs/dbraw/zinc/07/58/09/1084075809.db2.gz TZBYAKISAUVVSG-GVDBMIGSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281557302 1084087944 /nfs/dbraw/zinc/08/79/44/1084087944.db2.gz OKNFZJMSVOMYBB-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001670940250 1084159345 /nfs/dbraw/zinc/15/93/45/1084159345.db2.gz RXYUXNHTERCBMD-ALOPSCKCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001491356740 1084253637 /nfs/dbraw/zinc/25/36/37/1084253637.db2.gz SSIVCGDJLWZLLF-OFLPRAFFSA-N 2 0 307.482 2.454 20 30 DEEDRP N#CCCCC[N@@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001277948357 1084443966 /nfs/dbraw/zinc/44/39/66/1084443966.db2.gz HUHQRZOIRXUNMY-QGZVFWFLSA-N 2 0 301.438 2.391 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078700092 1084815785 /nfs/dbraw/zinc/81/57/85/1084815785.db2.gz GPCWDLLHUJEFJN-HUUCEWRRSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963946869 1085126878 /nfs/dbraw/zinc/12/68/78/1085126878.db2.gz KEWVQLLDEHWXOB-RFSHTEQGSA-N 2 0 319.493 2.452 20 30 DEEDRP 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 1085184455 /nfs/dbraw/zinc/18/44/55/1085184455.db2.gz VHFAZJCHUUGNKC-IMBTUZDBSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001486412006 1085281413 /nfs/dbraw/zinc/28/14/13/1085281413.db2.gz UIBFVXMZMMGZOK-JKSUJKDBSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC001486488327 1085368200 /nfs/dbraw/zinc/36/82/00/1085368200.db2.gz DPICEVCLWBKZQC-UHFFFAOYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001486489928 1085368779 /nfs/dbraw/zinc/36/87/79/1085368779.db2.gz BKHRHTMAHVWHBJ-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001486516305 1085387207 /nfs/dbraw/zinc/38/72/07/1085387207.db2.gz GPUGKIDLVIFLMY-QGZVFWFLSA-N 2 0 317.477 2.023 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001486524438 1085408447 /nfs/dbraw/zinc/40/84/47/1085408447.db2.gz CODNWGMDIYBBRH-QGZVFWFLSA-N 2 0 319.424 2.202 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114520986 1088307640 /nfs/dbraw/zinc/30/76/40/1088307640.db2.gz FWLVJLMFEVRBFI-VIBAHUMZSA-N 2 0 324.428 2.349 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560360 1088411063 /nfs/dbraw/zinc/41/10/63/1088411063.db2.gz XIXRNLQJYDCZMN-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC000957569198 1088417004 /nfs/dbraw/zinc/41/70/04/1088417004.db2.gz ZOZMZCMAQHXLLA-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949070 1088508187 /nfs/dbraw/zinc/50/81/87/1088508187.db2.gz NQSFALHIXQJMHV-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080190974 1088669506 /nfs/dbraw/zinc/66/95/06/1088669506.db2.gz PZHPAHDOYJTYLJ-CRAIPNDOSA-N 2 0 315.461 2.027 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080624351 1089107449 /nfs/dbraw/zinc/10/74/49/1089107449.db2.gz XAZJODTYKZXLMA-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114848969 1089148751 /nfs/dbraw/zinc/14/87/51/1089148751.db2.gz IWUMUQUNWVOMKG-VVLHAWIVSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082853475 1090090357 /nfs/dbraw/zinc/09/03/57/1090090357.db2.gz BFEXHSZHYAVIGX-SZVBFZGTSA-N 2 0 315.461 2.086 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001084389172 1090286144 /nfs/dbraw/zinc/28/61/44/1090286144.db2.gz VUYLFJBOPSGTDT-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274369467 1091210400 /nfs/dbraw/zinc/21/04/00/1091210400.db2.gz QMNDMMPBUACVBW-QWPQOLDESA-N 2 0 311.445 2.037 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001274955933 1091492684 /nfs/dbraw/zinc/49/26/84/1091492684.db2.gz SXIJQAPKJWIPBP-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP CCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275130873 1091574268 /nfs/dbraw/zinc/57/42/68/1091574268.db2.gz JZNWRRQVGGHJRD-HDICACEKSA-N 2 0 311.514 2.294 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001275150795 1091586848 /nfs/dbraw/zinc/58/68/48/1091586848.db2.gz NTLNZALYEIBQIA-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275161502 1091592986 /nfs/dbraw/zinc/59/29/86/1091592986.db2.gz ZTDVNQMGBKQGNN-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001273459178 1091788566 /nfs/dbraw/zinc/78/85/66/1091788566.db2.gz ZNLUCFSJARJFQG-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001273572193 1091929537 /nfs/dbraw/zinc/92/95/37/1091929537.db2.gz VUBVTSSXTAJMQR-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001275793425 1092135671 /nfs/dbraw/zinc/13/56/71/1092135671.db2.gz OVCWFCVFRSLLOX-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001490347599 1093296366 /nfs/dbraw/zinc/29/63/66/1093296366.db2.gz NKMZDIQIBPFGEP-INIZCTEOSA-N 2 0 318.465 2.158 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001490312371 1093304519 /nfs/dbraw/zinc/30/45/19/1093304519.db2.gz OTTXLRPWCMTOBI-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001490764969 1093515913 /nfs/dbraw/zinc/51/59/13/1093515913.db2.gz IUEOTDMSODYILQ-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001691742585 1138269321 /nfs/dbraw/zinc/26/93/21/1138269321.db2.gz CFSHMUPUACIEIG-IYBDPMFKSA-N 2 0 309.498 2.415 20 30 DEEDRP C#CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1OC ZINC001236314409 1138350375 /nfs/dbraw/zinc/35/03/75/1138350375.db2.gz DEFNKVJKEKETCS-CALCHBBNSA-N 2 0 314.429 2.139 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236438960 1138363517 /nfs/dbraw/zinc/36/35/17/1138363517.db2.gz BTXUGEZLEPVQHY-UHFFFAOYSA-N 2 0 303.450 2.025 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001281940584 1138845101 /nfs/dbraw/zinc/84/51/01/1138845101.db2.gz AIMUVZWRJUIORM-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP N#Cc1cc(-c2ccc3c(c2)CC[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001240455956 1139372716 /nfs/dbraw/zinc/37/27/16/1139372716.db2.gz QSUDTRGQBNZUIK-UHFFFAOYSA-N 2 0 318.424 2.281 20 30 DEEDRP N#Cc1cc(-c2ccc3c(c2)C[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001242675611 1140017273 /nfs/dbraw/zinc/01/72/73/1140017273.db2.gz JFXFRMRXKLJSSX-UHFFFAOYSA-N 2 0 304.397 2.238 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316664269 1140039532 /nfs/dbraw/zinc/03/95/32/1140039532.db2.gz NNUFWTPETSXFDV-BBWFWOEESA-N 2 0 309.498 2.413 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491817772 1140318523 /nfs/dbraw/zinc/31/85/23/1140318523.db2.gz VQVFJNPHVNTOPW-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001318474049 1140343016 /nfs/dbraw/zinc/34/30/16/1140343016.db2.gz RBNXZOLUPNLNIN-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001318528412 1140359664 /nfs/dbraw/zinc/35/96/64/1140359664.db2.gz HASPSFCWNZGCKK-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001319386969 1140560866 /nfs/dbraw/zinc/56/08/66/1140560866.db2.gz UENPSTCNAUCLJB-SFHVURJKSA-N 2 0 319.493 2.457 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319631335 1140628600 /nfs/dbraw/zinc/62/86/00/1140628600.db2.gz NWKQXNUDPDBWLJ-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001319662981 1140649101 /nfs/dbraw/zinc/64/91/01/1140649101.db2.gz KZAZYYUQHJJDIT-QZTJIDSGSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319860782 1140773865 /nfs/dbraw/zinc/77/38/65/1140773865.db2.gz IERBEPYRAVFOGA-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001320007257 1140812368 /nfs/dbraw/zinc/81/23/68/1140812368.db2.gz LJUUKJOSAQNRJM-UHFFFAOYSA-N 2 0 309.479 2.390 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245986079 1140842108 /nfs/dbraw/zinc/84/21/08/1140842108.db2.gz UTBUXKXRFBJQGH-XDNAFOTISA-N 2 0 312.498 2.312 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001278432663 1140865038 /nfs/dbraw/zinc/86/50/38/1140865038.db2.gz GSJLJRIOXITBJO-YOEHRIQHSA-N 2 0 304.438 2.135 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320575138 1140881493 /nfs/dbraw/zinc/88/14/93/1140881493.db2.gz NXEUJFICNYUFRP-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246361469 1140888260 /nfs/dbraw/zinc/88/82/60/1140888260.db2.gz LLPAYMWSCVQWCU-HNAYVOBHSA-N 2 0 312.461 2.253 20 30 DEEDRP C=CCOC(=O)N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246950228 1141170331 /nfs/dbraw/zinc/17/03/31/1141170331.db2.gz WBIVEUSFXQDONB-UHFFFAOYSA-N 2 0 321.465 2.239 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001323636796 1141872380 /nfs/dbraw/zinc/87/23/80/1141872380.db2.gz GYKXEVAFAAWDDF-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323874644 1141895395 /nfs/dbraw/zinc/89/53/95/1141895395.db2.gz VXKBBWLBKHYILF-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C[C@](C)(O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252559299 1142766481 /nfs/dbraw/zinc/76/64/81/1142766481.db2.gz VFBMYSSRKGEMQX-OTWHNJEPSA-N 2 0 300.446 2.377 20 30 DEEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001252620696 1142791852 /nfs/dbraw/zinc/79/18/52/1142791852.db2.gz YLJAVLMQCXKGRF-GOSISDBHSA-N 2 0 303.450 2.210 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254520269 1143179247 /nfs/dbraw/zinc/17/92/47/1143179247.db2.gz XAPMUHYWLHWWKT-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001495963224 1143367406 /nfs/dbraw/zinc/36/74/06/1143367406.db2.gz FYHQNMJOHCUBHP-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCOC[C@H]1CCC[C@@]12CN(C1CC[NH+](C)CC1)CCO2 ZINC001256208052 1143836266 /nfs/dbraw/zinc/83/62/66/1143836266.db2.gz VKSJGTCWHIPSKM-SJLPKXTDSA-N 2 0 308.466 2.154 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCSC)CC1 ZINC001258225195 1143985466 /nfs/dbraw/zinc/98/54/66/1143985466.db2.gz SNTMDLJANZZOFJ-KRWDZBQOSA-N 2 0 311.539 2.420 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001258720622 1144035425 /nfs/dbraw/zinc/03/54/25/1144035425.db2.gz CJQHBOWCEZLVDL-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263849432 1144410755 /nfs/dbraw/zinc/41/07/55/1144410755.db2.gz JJVPFJXNVLJXCQ-TWMKSMIVSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263849433 1144410841 /nfs/dbraw/zinc/41/08/41/1144410841.db2.gz JJVPFJXNVLJXCQ-VQHPVUNQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001263880614 1144419408 /nfs/dbraw/zinc/41/94/08/1144419408.db2.gz UMAHSULSPGUCEM-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001264062687 1144453875 /nfs/dbraw/zinc/45/38/75/1144453875.db2.gz OKRXVXSFHZTVMU-GVDBMIGSSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC001264176553 1144495482 /nfs/dbraw/zinc/49/54/82/1144495482.db2.gz GHYQOILQQKTIOX-NJAFHUGGSA-N 2 0 315.461 2.444 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001264435371 1144538759 /nfs/dbraw/zinc/53/87/59/1144538759.db2.gz HICNWHNEFKCCTM-QBPKDAKJSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001264518029 1144556118 /nfs/dbraw/zinc/55/61/18/1144556118.db2.gz NVTKITACLZXLIW-IRXDYDNUSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001265356927 1144697807 /nfs/dbraw/zinc/69/78/07/1144697807.db2.gz RQFMLCUTJWHJQU-YESZJQIVSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001265508874 1144708242 /nfs/dbraw/zinc/70/82/42/1144708242.db2.gz NXWNYRLIXZTIIX-IYARVYRRSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266068944 1144802386 /nfs/dbraw/zinc/80/23/86/1144802386.db2.gz RWLSBINIAIYKME-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279589714 1144825235 /nfs/dbraw/zinc/82/52/35/1144825235.db2.gz YWRSWFMYEXJBKC-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001281683052 1144907855 /nfs/dbraw/zinc/90/78/55/1144907855.db2.gz MIWPDTXBEBANDB-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001283307345 1145354475 /nfs/dbraw/zinc/35/44/75/1145354475.db2.gz NBRLKRJPQSHZMU-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C[N@@H+]1C[C@]23C[NH+](C[C@@H](O)CC4(C#N)CCC4)C[C@@]2(C1)CCCC3 ZINC001364841894 1145623833 /nfs/dbraw/zinc/62/38/33/1145623833.db2.gz TUPZBNLWGCFFHR-YTQUADARSA-N 2 0 317.477 2.239 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]21 ZINC001284095752 1145796508 /nfs/dbraw/zinc/79/65/08/1145796508.db2.gz JGJOKPMHQZNKIP-USXIJHARSA-N 2 0 316.449 2.135 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001284348044 1145840606 /nfs/dbraw/zinc/84/06/06/1145840606.db2.gz REILPMJBUUDDII-HZPDHXFCSA-N 2 0 309.498 2.365 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001284587845 1145875211 /nfs/dbraw/zinc/87/52/11/1145875211.db2.gz CAEXUPSWFXTHCT-HNNXBMFYSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001316638434 1146078222 /nfs/dbraw/zinc/07/82/22/1146078222.db2.gz VZIDSBKCXOKOIO-TVFCKZIOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316644238 1146757468 /nfs/dbraw/zinc/75/74/68/1146757468.db2.gz LUUWHXXMXIYMAH-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491828515 1146905507 /nfs/dbraw/zinc/90/55/07/1146905507.db2.gz UVPKMDYSGKKHIQ-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001492154733 1147102170 /nfs/dbraw/zinc/10/21/70/1147102170.db2.gz SKJHYUSSQKZYMJ-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001316804323 1147603418 /nfs/dbraw/zinc/60/34/18/1147603418.db2.gz GEKQOMLFYUCWMY-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316877345 1147619273 /nfs/dbraw/zinc/61/92/73/1147619273.db2.gz JXTRXKBDBPNTID-DLBZAZTESA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001316982614 1147643316 /nfs/dbraw/zinc/64/33/16/1147643316.db2.gz NWLFPTAARQUQNE-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001317024051 1147649441 /nfs/dbraw/zinc/64/94/41/1147649441.db2.gz CYGNSUGGWCGNTK-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317046237 1147652567 /nfs/dbraw/zinc/65/25/67/1147652567.db2.gz ZHVIFDNLFNIBJY-DLBZAZTESA-N 2 0 309.498 2.319 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001317722490 1147747429 /nfs/dbraw/zinc/74/74/29/1147747429.db2.gz UYYLLPFQDIZXNA-QGZVFWFLSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318273196 1147806292 /nfs/dbraw/zinc/80/62/92/1147806292.db2.gz OOWNQMCZAMAJBE-QZWWFDLISA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300803 1147808852 /nfs/dbraw/zinc/80/88/52/1147808852.db2.gz AXHNYOQLMYSIRF-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001324978347 1147863584 /nfs/dbraw/zinc/86/35/84/1147863584.db2.gz SKJJOKBUXVMAMM-SFHVURJKSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001324978346 1147863774 /nfs/dbraw/zinc/86/37/74/1147863774.db2.gz SKJJOKBUXVMAMM-GOSISDBHSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001325414112 1147903387 /nfs/dbraw/zinc/90/33/87/1147903387.db2.gz DJHMDEGQIORCCK-GDBMZVCRSA-N 2 0 324.428 2.106 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001325421018 1147905265 /nfs/dbraw/zinc/90/52/65/1147905265.db2.gz YYYPAZQXMABIOU-KGLIPLIRSA-N 2 0 310.401 2.026 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001325664511 1147979784 /nfs/dbraw/zinc/97/97/84/1147979784.db2.gz CDWOQSFDLJLYGK-IYARVYRRSA-N 2 0 321.509 2.417 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001326899382 1148285822 /nfs/dbraw/zinc/28/58/22/1148285822.db2.gz OASHIFZTLVLXRZ-JKSUJKDBSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC001327196579 1148345621 /nfs/dbraw/zinc/34/56/21/1148345621.db2.gz RSNLKTHCMUSISQ-BRWVUGGUSA-N 2 0 307.482 2.319 20 30 DEEDRP CN1CC[NH+]=C1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262689580 529778748 /nfs/dbraw/zinc/77/87/48/529778748.db2.gz ZUNIKGVHJPPTGF-WFASDCNBSA-N 2 0 324.831 2.363 20 30 DEEDRP CC(C)C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000083030693 355461547 /nfs/dbraw/zinc/46/15/47/355461547.db2.gz JQFYNMALBNZCKS-GDBMZVCRSA-N 2 0 318.465 2.391 20 30 DEEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083035490 355462335 /nfs/dbraw/zinc/46/23/35/355462335.db2.gz MENLRYGXEGKXAA-UKRRQHHQSA-N 2 0 304.438 2.145 20 30 DEEDRP Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)c(C#N)cn1 ZINC000581939817 357271355 /nfs/dbraw/zinc/27/13/55/357271355.db2.gz JUYKIJWQCFCFOW-UHFFFAOYSA-N 2 0 307.401 2.155 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000595892634 358573415 /nfs/dbraw/zinc/57/34/15/358573415.db2.gz NUSVHXLANHGCRA-RTBURBONSA-N 2 0 313.445 2.319 20 30 DEEDRP COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1C#N ZINC000442886103 238087045 /nfs/dbraw/zinc/08/70/45/238087045.db2.gz PYOJRJRXIKDVOD-UHFFFAOYSA-N 2 0 317.433 2.109 20 30 DEEDRP COCC#CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000677133361 541545798 /nfs/dbraw/zinc/54/57/98/541545798.db2.gz RZFAPFYDIUVQIV-UHFFFAOYSA-N 2 0 300.446 2.480 20 30 DEEDRP COCC#CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000682533828 542315162 /nfs/dbraw/zinc/31/51/62/542315162.db2.gz LNUMAQMGZRNXDK-IRXDYDNUSA-N 2 0 300.446 2.382 20 30 DEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000537661777 285010352 /nfs/dbraw/zinc/01/03/52/285010352.db2.gz UWFCJGOCWOQQEC-MRXNPFEDSA-N 2 0 318.490 2.220 20 30 DEEDRP C[C@@H](CCC#N)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000411296911 533512518 /nfs/dbraw/zinc/51/25/18/533512518.db2.gz SRZGOCACODCGTA-HNNXBMFYSA-N 2 0 322.497 2.095 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc(C#N)c2)ccn1 ZINC000136220442 401962966 /nfs/dbraw/zinc/96/29/66/401962966.db2.gz YQTSGIAKOLAYHP-UHFFFAOYSA-N 2 0 310.401 2.183 20 30 DEEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000269440593 403139902 /nfs/dbraw/zinc/13/99/02/403139902.db2.gz SKUYOCFNKXODGE-INIZCTEOSA-N 2 0 305.397 2.024 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000276675042 403192671 /nfs/dbraw/zinc/19/26/71/403192671.db2.gz RXRUNPSCYOVPDH-UHFFFAOYSA-N 2 0 318.465 2.222 20 30 DEEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000330607047 403287808 /nfs/dbraw/zinc/28/78/08/403287808.db2.gz LGUMETLTPQNDNC-CQSZACIVSA-N 2 0 319.424 2.222 20 30 DEEDRP C[N@H+](CCOCCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292939109 403384372 /nfs/dbraw/zinc/38/43/72/403384372.db2.gz ZWEXVRFXKXSKGI-GOSISDBHSA-N 2 0 301.434 2.371 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000362857790 403994741 /nfs/dbraw/zinc/99/47/41/403994741.db2.gz YAANRYIJVJLKPX-QGZVFWFLSA-N 2 0 322.497 2.009 20 30 DEEDRP COC1([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)C2(OC)CCC2)CCC1 ZINC000412029593 404067249 /nfs/dbraw/zinc/06/72/49/404067249.db2.gz YNDRQJAZMRDIDZ-HZPDHXFCSA-N 2 0 308.466 2.084 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)CC[NH+](CC)CC)CC1 ZINC000360109080 404819163 /nfs/dbraw/zinc/81/91/63/404819163.db2.gz DEBHBOSKIXFALG-UHFFFAOYSA-N 2 0 324.513 2.400 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000417059223 405022129 /nfs/dbraw/zinc/02/21/29/405022129.db2.gz HUQMNUHRBVFKOU-IXDOHACOSA-N 2 0 322.497 2.112 20 30 DEEDRP C[NH+](C)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424171051 405028577 /nfs/dbraw/zinc/02/85/77/405028577.db2.gz IRQVPSDHTXWELW-HUUCEWRRSA-N 2 0 322.840 2.080 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000424182916 405032132 /nfs/dbraw/zinc/03/21/32/405032132.db2.gz UPTXZVNSIXHMCD-KRWDZBQOSA-N 2 0 314.433 2.285 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000521992981 406381458 /nfs/dbraw/zinc/38/14/58/406381458.db2.gz IJQQDLBNODCPGE-KRWDZBQOSA-N 2 0 312.461 2.112 20 30 DEEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCC1 ZINC000262754612 225283215 /nfs/dbraw/zinc/28/32/15/225283215.db2.gz CWIXQJSNIFTOJQ-UHFFFAOYSA-N 2 0 318.421 2.059 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649323606 424992640 /nfs/dbraw/zinc/99/26/40/424992640.db2.gz GXZNOBNSYQRNPC-HNNXBMFYSA-N 2 0 307.825 2.106 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C(C)C ZINC000653110487 425408237 /nfs/dbraw/zinc/40/82/37/425408237.db2.gz KGXNYFFMOLDUSM-FGTMMUONSA-N 2 0 319.493 2.332 20 30 DEEDRP C=CCC1([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)CCCC1 ZINC000661847635 425513887 /nfs/dbraw/zinc/51/38/87/425513887.db2.gz BJKDTDSMZMVMON-UHFFFAOYSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCn1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nn1 ZINC000662293014 425615750 /nfs/dbraw/zinc/61/57/50/425615750.db2.gz IHLAWXCCUUTWIG-INIZCTEOSA-N 2 0 303.454 2.066 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)C(C)C ZINC000662681613 425711564 /nfs/dbraw/zinc/71/15/64/425711564.db2.gz KEZXHABDHQPMPH-HOTGVXAUSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662682514 425711895 /nfs/dbraw/zinc/71/18/95/425711895.db2.gz INNLBQAWEXXBEA-SJLPKXTDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[C@]1(C(=O)NCCCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662682504 425712263 /nfs/dbraw/zinc/71/22/63/425712263.db2.gz ILJOIBRTTCRTSH-GOSISDBHSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[C@]1(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000662749697 425728736 /nfs/dbraw/zinc/72/87/36/425728736.db2.gz OEQKXLUYZNMPFK-GOSISDBHSA-N 2 0 319.424 2.072 20 30 DEEDRP C#Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377621127 275387193 /nfs/dbraw/zinc/38/71/93/275387193.db2.gz AWLGKHTVHPJKMR-HXUWFJFHSA-N 2 0 311.473 2.268 20 30 DEEDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000246271977 276386522 /nfs/dbraw/zinc/38/65/22/276386522.db2.gz BKNYTWVBMMXLFW-VQIMIIECSA-N 2 0 312.461 2.331 20 30 DEEDRP C=C(C)COCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987867 276863974 /nfs/dbraw/zinc/86/39/74/276863974.db2.gz HOLXUKSFERQLEJ-SJLPKXTDSA-N 2 0 302.418 2.425 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423636117 1173459162 /nfs/dbraw/zinc/45/91/62/1173459162.db2.gz LDWQCAIEUKIYKC-ZBFHGGJFSA-N 2 0 313.873 2.051 20 30 DEEDRP N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)c(F)c1 ZINC000583078911 337236580 /nfs/dbraw/zinc/23/65/80/337236580.db2.gz ZGRZJDIYZVDLOS-HZPDHXFCSA-N 2 0 316.424 2.398 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001376979712 1159862582 /nfs/dbraw/zinc/86/25/82/1159862582.db2.gz KDGHZHMTHANZBZ-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001378419607 1152322881 /nfs/dbraw/zinc/32/28/81/1152322881.db2.gz YJXKKCCHARTXSE-HOCLYGCPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001378889053 1152480076 /nfs/dbraw/zinc/48/00/76/1152480076.db2.gz BXNRLJNAPLQYHH-AJNGGQMLSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001378891925 1152481121 /nfs/dbraw/zinc/48/11/21/1152481121.db2.gz NNSDMMBYOZMKFY-SHTZXODSSA-N 2 0 313.873 2.099 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001327474096 1148564519 /nfs/dbraw/zinc/56/45/19/1148564519.db2.gz GZCCTORWJIODOR-KRWDZBQOSA-N 2 0 321.509 2.491 20 30 DEEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262358832 526394193 /nfs/dbraw/zinc/39/41/93/526394193.db2.gz GKQWDMQVWNFJHD-CEXWTWQISA-N 2 0 324.472 2.139 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417537362 526583586 /nfs/dbraw/zinc/58/35/86/526583586.db2.gz LOWIAFQFJRXGCE-INIZCTEOSA-N 2 0 310.486 2.042 20 30 DEEDRP C=CCOCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000339012028 526767316 /nfs/dbraw/zinc/76/73/16/526767316.db2.gz GBGXKKFBQYSZOJ-UHFFFAOYSA-N 2 0 323.525 2.317 20 30 DEEDRP C=CC[C@H](CO)C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000341296345 527185684 /nfs/dbraw/zinc/18/56/84/527185684.db2.gz JJONVQNHWSTRTR-KRWDZBQOSA-N 2 0 317.477 2.103 20 30 DEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH+]C)N2CCSC(C)(C)C2)C1 ZINC000261755579 528249373 /nfs/dbraw/zinc/24/93/73/528249373.db2.gz CMRWTUHIEAVZDX-AWEZNQCLSA-N 2 0 312.527 2.121 20 30 DEEDRP CCCNc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000193062583 528562399 /nfs/dbraw/zinc/56/23/99/528562399.db2.gz YGEWTLVMKBXCDN-QGZVFWFLSA-N 2 0 317.481 2.397 20 30 DEEDRP CC[NH+]=C(NCC1CCSCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262785450 528805649 /nfs/dbraw/zinc/80/56/49/528805649.db2.gz MLPJEIJJTZBOQF-MRXNPFEDSA-N 2 0 322.522 2.041 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCS[C@@H](CC)C1 ZINC000261805487 528812093 /nfs/dbraw/zinc/81/20/93/528812093.db2.gz HGKLZOIQXXDWMF-GJZGRUSLSA-N 2 0 312.527 2.121 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000267475286 529073872 /nfs/dbraw/zinc/07/38/72/529073872.db2.gz ZECDRWOPJDLHPS-ZACQAIPSSA-N 2 0 300.450 2.006 20 30 DEEDRP CC(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CC[NH+](C)CC1 ZINC000449073955 535191999 /nfs/dbraw/zinc/19/19/99/535191999.db2.gz JXMZXOSHURSXBL-LXPRWKDFSA-N 2 0 306.498 2.320 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001327940767 1148681234 /nfs/dbraw/zinc/68/12/34/1148681234.db2.gz CUILEXXJRAUWAP-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001025253908 625309416 /nfs/dbraw/zinc/30/94/16/625309416.db2.gz YGEXKWPOHQQKBJ-SJORKVTESA-N 2 0 316.449 2.223 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632383 625364580 /nfs/dbraw/zinc/36/45/80/625364580.db2.gz LLHQVZZMZGLQQX-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001026507124 625488808 /nfs/dbraw/zinc/48/88/08/625488808.db2.gz MWDKNQAUVCEDHS-LEOMRAHMSA-N 2 0 317.477 2.044 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000969156362 622596478 /nfs/dbraw/zinc/59/64/78/622596478.db2.gz RBAOHOADVQPCRN-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000969156499 622597201 /nfs/dbraw/zinc/59/72/01/622597201.db2.gz UJJGIYJZRGQLNY-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326401 623402776 /nfs/dbraw/zinc/40/27/76/623402776.db2.gz RMMKRMOEEBJKKU-YJBOKZPZSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326399 623402859 /nfs/dbraw/zinc/40/28/59/623402859.db2.gz RMMKRMOEEBJKKU-MAUKXSAKSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529845 623523450 /nfs/dbraw/zinc/52/34/50/623523450.db2.gz TYUQJLXHPBOUAU-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719961 623641802 /nfs/dbraw/zinc/64/18/02/623641802.db2.gz XNMFBHDLQJMMFN-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605250 623822446 /nfs/dbraw/zinc/82/24/46/623822446.db2.gz LXDSXVIIONAWCT-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239390 625052256 /nfs/dbraw/zinc/05/22/56/625052256.db2.gz YYDITESHPIULKT-BFYDXBDKSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001020336314 625059884 /nfs/dbraw/zinc/05/98/84/625059884.db2.gz XOPYQKILCZAIKF-JOCQHMNTSA-N 2 0 318.808 2.246 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377085 625244125 /nfs/dbraw/zinc/24/41/25/625244125.db2.gz FEYDMKRZWIUVCL-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023410113 625257486 /nfs/dbraw/zinc/25/74/86/625257486.db2.gz ODYSWWLYLRWYEY-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999346312 634567716 /nfs/dbraw/zinc/56/77/16/634567716.db2.gz DEKLDKMVXGDXTN-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999350899 634569823 /nfs/dbraw/zinc/56/98/23/634569823.db2.gz CKHULEDUWXGAOB-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024739037 632958585 /nfs/dbraw/zinc/95/85/85/632958585.db2.gz WULNSXOTXXXTRU-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586855 633165842 /nfs/dbraw/zinc/16/58/42/633165842.db2.gz KQXWDVUGXIUEMJ-SJORKVTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996672824 633346026 /nfs/dbraw/zinc/34/60/26/633346026.db2.gz RBDIBBOOIAFMIK-KRWDZBQOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996692795 633350257 /nfs/dbraw/zinc/35/02/57/633350257.db2.gz YFCUWHDPQPJWLM-OAHLLOKOSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762135 633371580 /nfs/dbraw/zinc/37/15/80/633371580.db2.gz SFIJYRUKYODJJU-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974944136 633375965 /nfs/dbraw/zinc/37/59/65/633375965.db2.gz GBCOGJCZVROTDH-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000997187574 633671375 /nfs/dbraw/zinc/67/13/75/633671375.db2.gz RDRXOMZBYNSLEV-CQSZACIVSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006289 634107321 /nfs/dbraw/zinc/10/73/21/634107321.db2.gz KLEUKFLOEUOJAE-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC000998194228 634165938 /nfs/dbraw/zinc/16/59/38/634165938.db2.gz CQPMOXIHTPKCEO-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980144774 634861949 /nfs/dbraw/zinc/86/19/49/634861949.db2.gz BNEOYZGNCDMGPP-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC000981197805 635357574 /nfs/dbraw/zinc/35/75/74/635357574.db2.gz PIUCNIBMPVKMID-OAHLLOKOSA-N 2 0 304.438 2.117 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001251352 635441591 /nfs/dbraw/zinc/44/15/91/635441591.db2.gz DPIOUVGZZMOYRK-ZWKOTPCHSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028088834 635457486 /nfs/dbraw/zinc/45/74/86/635457486.db2.gz QPWKOBZKWUDONJ-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028088486 635458780 /nfs/dbraw/zinc/45/87/80/635458780.db2.gz JQKVZUFLVWFIPW-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001001478236 635516760 /nfs/dbraw/zinc/51/67/60/635516760.db2.gz ZCZMLZCFYPHUKG-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911953 635574300 /nfs/dbraw/zinc/57/43/00/635574300.db2.gz RMCFHFMPFWVICO-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003243047 635927217 /nfs/dbraw/zinc/92/72/17/635927217.db2.gz QFWVTNJYKBXLLO-UHFFFAOYSA-N 2 0 305.466 2.162 20 30 DEEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925894420 636014480 /nfs/dbraw/zinc/01/44/80/636014480.db2.gz YEVXSYIMSYFQIL-GDBMZVCRSA-N 2 0 301.438 2.266 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003742726 636045252 /nfs/dbraw/zinc/04/52/52/636045252.db2.gz ZSVFTQZTVCGXEY-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003968797 636105794 /nfs/dbraw/zinc/10/57/94/636105794.db2.gz UVOBEMNPCUJFDS-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004476669 636465110 /nfs/dbraw/zinc/46/51/10/636465110.db2.gz ZBXCDCQDDIDOOQ-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678289 636561429 /nfs/dbraw/zinc/56/14/29/636561429.db2.gz YBBKZANTVNAYLC-IYBDPMFKSA-N 2 0 324.428 2.304 20 30 DEEDRP C[NH+]=C(NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)NC1CC1 ZINC000186890361 636587647 /nfs/dbraw/zinc/58/76/47/636587647.db2.gz BKDTYAYHRUSKNE-KRWDZBQOSA-N 2 0 300.450 2.224 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001005388692 636729385 /nfs/dbraw/zinc/72/93/85/636729385.db2.gz AXDWKZOUZLDJAB-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005397353 636733183 /nfs/dbraw/zinc/73/31/83/636733183.db2.gz KBOYNXOXHQIZNL-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005504397 636753874 /nfs/dbraw/zinc/75/38/74/636753874.db2.gz QYFAUZVDJSEKEA-GOSISDBHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001028934378 636870952 /nfs/dbraw/zinc/87/09/52/636870952.db2.gz CZPAUYFJJYISCF-OAHLLOKOSA-N 2 0 316.449 2.166 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923385976 637154368 /nfs/dbraw/zinc/15/43/68/637154368.db2.gz IAGVCFMSQINIRS-RBUKOAKNSA-N 2 0 313.445 2.303 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946901740 637183946 /nfs/dbraw/zinc/18/39/46/637183946.db2.gz DMYIGFFAHRYVAZ-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487090 637201121 /nfs/dbraw/zinc/20/11/21/637201121.db2.gz WSMUAZYVZADKST-HUUCEWRRSA-N 2 0 321.490 2.322 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000764075699 640601151 /nfs/dbraw/zinc/60/11/51/640601151.db2.gz NVJVHLFUQWYKQS-QGZVFWFLSA-N 2 0 303.450 2.304 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]C3CC(CCO)C3)CC2)cc1 ZINC000898010155 640991918 /nfs/dbraw/zinc/99/19/18/640991918.db2.gz DNQMPFXLDIZSLK-UHFFFAOYSA-N 2 0 313.445 2.273 20 30 DEEDRP N#Cc1ccc(C2=CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000767732036 641015743 /nfs/dbraw/zinc/01/57/43/641015743.db2.gz MZZPTGCNASAKFP-IBGZPJMESA-N 2 0 311.429 2.104 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000989634337 641174648 /nfs/dbraw/zinc/17/46/48/641174648.db2.gz BKHYHGHEHNFKHN-GDBMZVCRSA-N 2 0 310.401 2.251 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000990634117 641563982 /nfs/dbraw/zinc/56/39/82/641563982.db2.gz BGYNZYNERVFXPW-SOLBZPMBSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000900106271 642266151 /nfs/dbraw/zinc/26/61/51/642266151.db2.gz GQRRBMYDTFIPIY-GOSISDBHSA-N 2 0 315.461 2.448 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000900414643 642362158 /nfs/dbraw/zinc/36/21/58/642362158.db2.gz IIUIRCKCKHKKKA-UHFFFAOYSA-N 2 0 321.440 2.224 20 30 DEEDRP C[C@@H]1CNC(NN=C2CCCC[C@H]2[N@H+]2C[C@H](C)C[C@H](C)C2)=[NH+]1 ZINC000779797189 642539981 /nfs/dbraw/zinc/53/99/81/642539981.db2.gz BJUCOIRDHKEEBI-HLPPOEQASA-N 2 0 305.470 2.200 20 30 DEEDRP CC1(C)C[NH2+]C[C@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000902448720 643044782 /nfs/dbraw/zinc/04/47/82/643044782.db2.gz HMYWPEDYNKBZEN-GOSISDBHSA-N 2 0 312.461 2.110 20 30 DEEDRP CC(C)([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000903933407 643513940 /nfs/dbraw/zinc/51/39/40/643513940.db2.gz QSSMOOGKTUZDCH-MRXNPFEDSA-N 2 0 324.432 2.099 20 30 DEEDRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(C#N)c2)cnn1C ZINC000903950819 643526873 /nfs/dbraw/zinc/52/68/73/643526873.db2.gz RNFXNHZVCFXXIN-BBRMVZONSA-N 2 0 311.433 2.068 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156728 646877118 /nfs/dbraw/zinc/87/71/18/646877118.db2.gz XBIZWEJKSTVAGY-PKOBYXMFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156720 646877401 /nfs/dbraw/zinc/87/74/01/646877401.db2.gz XBIZWEJKSTVAGY-IEBWSBKVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000913757047 647033192 /nfs/dbraw/zinc/03/31/92/647033192.db2.gz JOECCRQHRLEAEO-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819151980 647595753 /nfs/dbraw/zinc/59/57/53/647595753.db2.gz JPJQVJCYZAKDQC-SJLPKXTDSA-N 2 0 301.434 2.159 20 30 DEEDRP C[C@H]1CCCN(C(=[NH2+])NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179738383 648414015 /nfs/dbraw/zinc/41/40/15/648414015.db2.gz BDGRTJWIEPGAIN-HNNXBMFYSA-N 2 0 315.465 2.345 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745718 648933201 /nfs/dbraw/zinc/93/32/01/648933201.db2.gz SVRRKAOZDCWSPG-IAGOWNOFSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896816 648964796 /nfs/dbraw/zinc/96/47/96/648964796.db2.gz YPPISLDTGWEUDT-KRWDZBQOSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948381019 649114558 /nfs/dbraw/zinc/11/45/58/649114558.db2.gz CAGHIJZEMZYENA-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755480 649422421 /nfs/dbraw/zinc/42/24/21/649422421.db2.gz FERHTXPVXGNSEY-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047661 649475315 /nfs/dbraw/zinc/47/53/15/649475315.db2.gz UYPURBAWDIFDQS-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP CC[NH+](CC)[C@@H](CNC(NC1CC1)=[NH+]C)Cc1ccccc1 ZINC000848986716 651572107 /nfs/dbraw/zinc/57/21/07/651572107.db2.gz WKYFPDXJUOBZGC-QGZVFWFLSA-N 2 0 302.466 2.267 20 30 DEEDRP CC(C)[N@@H+]1CC[C@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000848996189 651575800 /nfs/dbraw/zinc/57/58/00/651575800.db2.gz JGUAMWXTCZMDRD-QGZVFWFLSA-N 2 0 302.466 2.424 20 30 DEEDRP [NH2+]=C(NCC1CCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304762567 685260980 /nfs/dbraw/zinc/26/09/80/685260980.db2.gz VVDVCQRQEPKXEN-QGZVFWFLSA-N 2 0 300.450 2.355 20 30 DEEDRP CCOc1cc(C)ccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000305036510 685265758 /nfs/dbraw/zinc/26/57/58/685265758.db2.gz STHGBIJFOKMBBP-INIZCTEOSA-N 2 0 318.465 2.282 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNc1cccc(F)c1 ZINC000305812757 685301388 /nfs/dbraw/zinc/30/13/88/685301388.db2.gz KILPUTABXWZVHW-MRXNPFEDSA-N 2 0 321.444 2.016 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001394513918 1158602640 /nfs/dbraw/zinc/60/26/40/1158602640.db2.gz BGBGWRITJDEIET-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCSc1ccccc1 ZINC000104156753 684058219 /nfs/dbraw/zinc/05/82/19/684058219.db2.gz LEAVGCIPOSMOAM-AWEZNQCLSA-N 2 0 306.479 2.167 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192386 693876275 /nfs/dbraw/zinc/87/62/75/693876275.db2.gz WNMIUPIWHXHLOX-MJGOQNOKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001054259199 693904961 /nfs/dbraw/zinc/90/49/61/693904961.db2.gz PGCMUQRTPMWUBR-SFHVURJKSA-N 2 0 313.445 2.289 20 30 DEEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303709366 685233211 /nfs/dbraw/zinc/23/32/11/685233211.db2.gz NTUQFTMBBDLISR-UHFFFAOYSA-N 2 0 320.437 2.162 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccc(C)cc1 ZINC000303789650 685235439 /nfs/dbraw/zinc/23/54/39/685235439.db2.gz VLVVSEMCBHCWAC-OAHLLOKOSA-N 2 0 320.506 2.476 20 30 DEEDRP CCC[N@@H+]1CC[C@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303876767 685236254 /nfs/dbraw/zinc/23/62/54/685236254.db2.gz IJBWOYZKRIEGNP-QGZVFWFLSA-N 2 0 302.466 2.426 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(C)cc1 ZINC000303971314 685240913 /nfs/dbraw/zinc/24/09/13/685240913.db2.gz DISWJADKGSMKFU-INIZCTEOSA-N 2 0 318.465 2.153 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000929698855 694008512 /nfs/dbraw/zinc/00/85/12/694008512.db2.gz AWCWTROMOFQYFH-QGZVFWFLSA-N 2 0 313.445 2.270 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865488976 687232081 /nfs/dbraw/zinc/23/20/81/687232081.db2.gz ZXANGGFVKPFOQK-QGZVFWFLSA-N 2 0 318.465 2.071 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016687264 687682296 /nfs/dbraw/zinc/68/22/96/687682296.db2.gz GFRRHPJFZUQSKK-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016689429 687683397 /nfs/dbraw/zinc/68/33/97/687683397.db2.gz ZXHYRHRNGJUCPE-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016700096 687685525 /nfs/dbraw/zinc/68/55/25/687685525.db2.gz BQHNZRGRPIUVJA-DLBZAZTESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016892305 687727973 /nfs/dbraw/zinc/72/79/73/687727973.db2.gz MHRPAPPUMCSHIR-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176364 688071861 /nfs/dbraw/zinc/07/18/61/688071861.db2.gz HVYJAHMYICZMRI-XDNAFOTISA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404609 689142325 /nfs/dbraw/zinc/14/23/25/689142325.db2.gz OQOWBPSMOYETGW-HOTGVXAUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628432 689206655 /nfs/dbraw/zinc/20/66/55/689206655.db2.gz ANSCUBKOERCGIN-MPGHIAIKSA-N 2 0 323.456 2.060 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467943 689510963 /nfs/dbraw/zinc/51/09/63/689510963.db2.gz UVEGRNCBZAIJMZ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577101 689549107 /nfs/dbraw/zinc/54/91/07/689549107.db2.gz ZEAMEPOLQBINOA-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932354 689666316 /nfs/dbraw/zinc/66/63/16/689666316.db2.gz LWFBDMVXRWQMKV-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012403 689693117 /nfs/dbraw/zinc/69/31/17/689693117.db2.gz NJBGAFSRMAFYJX-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238931 689776445 /nfs/dbraw/zinc/77/64/45/689776445.db2.gz OYCSMMFXJOQQBN-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034440029 689851182 /nfs/dbraw/zinc/85/11/82/689851182.db2.gz YMKJUUDKZRXKIW-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034464435 689860231 /nfs/dbraw/zinc/86/02/31/689860231.db2.gz YIAIWYQBZYMXLF-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C(C)C ZINC000876726144 689917459 /nfs/dbraw/zinc/91/74/59/689917459.db2.gz BJLGGWLSHAFYKC-SCTDSRPQSA-N 2 0 319.493 2.333 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001034649039 689918334 /nfs/dbraw/zinc/91/83/34/689918334.db2.gz CQWSBOWHIMHBLD-LUKYLMHMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000876728481 689918355 /nfs/dbraw/zinc/91/83/55/689918355.db2.gz NKYMAEFGPMTLHO-CQSZACIVSA-N 2 0 303.878 2.283 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000876735028 689920660 /nfs/dbraw/zinc/92/06/60/689920660.db2.gz YEXUIRWUKNBZFR-OSAQELSMSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000876766032 689930637 /nfs/dbraw/zinc/93/06/37/689930637.db2.gz ZODAGKOPZUNXFH-PESDSKBTSA-N 2 0 313.873 2.179 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000876773764 689933526 /nfs/dbraw/zinc/93/35/26/689933526.db2.gz DXSVUJUZBDZLHQ-HNNXBMFYSA-N 2 0 313.873 2.370 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccc(CC)cc1 ZINC000876838303 689950620 /nfs/dbraw/zinc/95/06/20/689950620.db2.gz JFTXMMRMHSJNPO-HOTGVXAUSA-N 2 0 321.852 2.192 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000876877078 689961480 /nfs/dbraw/zinc/96/14/80/689961480.db2.gz NCBCHXWXJCCBPF-BARDWOONSA-N 2 0 313.873 2.320 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035187514 690054700 /nfs/dbraw/zinc/05/47/00/690054700.db2.gz YVIHYOSNBHYFNJ-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035194236 690056528 /nfs/dbraw/zinc/05/65/28/690056528.db2.gz WYDAFACYOWXGTJ-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035732568 690163609 /nfs/dbraw/zinc/16/36/09/690163609.db2.gz DZDJDWVYFUWQHA-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035779922 690174758 /nfs/dbraw/zinc/17/47/58/690174758.db2.gz YFRSLFVXQFPNPP-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773142 690468645 /nfs/dbraw/zinc/46/86/45/690468645.db2.gz ITAPTODDNFQPSB-YOEHRIQHSA-N 2 0 310.401 2.057 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793985 690476704 /nfs/dbraw/zinc/47/67/04/690476704.db2.gz NREZCJUGBRZRJC-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001037863347 690626648 /nfs/dbraw/zinc/62/66/48/690626648.db2.gz XUHHGXADARLEHO-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001039297855 691076695 /nfs/dbraw/zinc/07/66/95/691076695.db2.gz BYIMPZIELXZZOF-MGNMYUMUSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001039393825 691096046 /nfs/dbraw/zinc/09/60/46/691096046.db2.gz JRCVJKKEACQYIZ-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040114368 691199784 /nfs/dbraw/zinc/19/97/84/691199784.db2.gz KGXDNCQGYBWPPK-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040240149 691218343 /nfs/dbraw/zinc/21/83/43/691218343.db2.gz CHSYFRPJJNDATP-HKUYNNGSSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845660 691444399 /nfs/dbraw/zinc/44/43/99/691444399.db2.gz MLFLDGZEEBGNCU-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CCCO1 ZINC000883186267 691452238 /nfs/dbraw/zinc/45/22/38/691452238.db2.gz OJHKFOCOQUUIEZ-ROUUACIJSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCO1 ZINC000883186102 691452325 /nfs/dbraw/zinc/45/23/25/691452325.db2.gz LJMNOKUKGGOHLA-RBUKOAKNSA-N 2 0 323.525 2.363 20 30 DEEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCCO1 ZINC000883207622 691457040 /nfs/dbraw/zinc/45/70/40/691457040.db2.gz PVSAYPOCRLIMRM-MANSERQUSA-N 2 0 322.493 2.468 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233040 691542288 /nfs/dbraw/zinc/54/22/88/691542288.db2.gz BXMUSFJHTDJCRD-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042286535 691557472 /nfs/dbraw/zinc/55/74/72/691557472.db2.gz ARJQADBFYOEFLQ-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045529711 691993671 /nfs/dbraw/zinc/99/36/71/691993671.db2.gz VYQHEGXQGDDUMF-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP N#CC1(C[C@@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000886264021 692038569 /nfs/dbraw/zinc/03/85/69/692038569.db2.gz MUFMAQYXNKPSHR-QGZVFWFLSA-N 2 0 314.433 2.039 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436744 692187897 /nfs/dbraw/zinc/18/78/97/692187897.db2.gz RNTFNDAWYZXWKP-SFHVURJKSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046563015 692224685 /nfs/dbraw/zinc/22/46/85/692224685.db2.gz ZHYYIRRUYZAKKI-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046563013 692224862 /nfs/dbraw/zinc/22/48/62/692224862.db2.gz ZHYYIRRUYZAKKI-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001048539826 692642918 /nfs/dbraw/zinc/64/29/18/692642918.db2.gz MGIAVCRBCRTYFY-YYIAUSFCSA-N 2 0 305.466 2.016 20 30 DEEDRP 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 692647987 /nfs/dbraw/zinc/64/79/87/692647987.db2.gz QBFOLAHISXCNDE-JCECYMMASA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910729 692721179 /nfs/dbraw/zinc/72/11/79/692721179.db2.gz GWPRGBRZEQHERK-IYBDPMFKSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095225 692762568 /nfs/dbraw/zinc/76/25/68/692762568.db2.gz VGUQHCZPXVPSLG-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568763 692924273 /nfs/dbraw/zinc/92/42/73/692924273.db2.gz WERSTRCQAFESDE-KURKYZTESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568673 692924645 /nfs/dbraw/zinc/92/46/45/692924645.db2.gz VWTNHEVTNHERPA-DLBZAZTESA-N 2 0 317.477 2.256 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049656482 692955834 /nfs/dbraw/zinc/95/58/34/692955834.db2.gz XONMCMAGCZMLNT-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049693869 692966546 /nfs/dbraw/zinc/96/65/46/692966546.db2.gz PLDFEVMMCDXMEE-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049760994 692991032 /nfs/dbraw/zinc/99/10/32/692991032.db2.gz FAESSFWZRITWIP-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050549536 693205101 /nfs/dbraw/zinc/20/51/01/693205101.db2.gz WYKAVZRCXODUJO-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050635715 693220072 /nfs/dbraw/zinc/22/00/72/693220072.db2.gz QIOUQJTZSBUSNA-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661060 693226938 /nfs/dbraw/zinc/22/69/38/693226938.db2.gz NTUNIJPGAZLVBM-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000925642655 693315246 /nfs/dbraw/zinc/31/52/46/693315246.db2.gz ABUQVXAWYZRNRK-UYSNPLJNSA-N 2 0 314.433 2.373 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925724817 693330304 /nfs/dbraw/zinc/33/03/04/693330304.db2.gz DNFCFYGYDVYTSQ-QZTJIDSGSA-N 2 0 310.445 2.387 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052444612 693536773 /nfs/dbraw/zinc/53/67/73/693536773.db2.gz GSEDQDOISGBPAX-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052528646 693559067 /nfs/dbraw/zinc/55/90/67/693559067.db2.gz NQBCRYDMHGNGNK-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052528649 693559388 /nfs/dbraw/zinc/55/93/88/693559388.db2.gz NQBCRYDMHGNGNK-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052652036 693589584 /nfs/dbraw/zinc/58/95/84/693589584.db2.gz RLAGAKLKNZEJBU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838012 693629636 /nfs/dbraw/zinc/62/96/36/693629636.db2.gz YKBVQLMWAPNIPQ-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001402329193 1162325761 /nfs/dbraw/zinc/32/57/61/1162325761.db2.gz MKUMURLLTNWBSH-CQSZACIVSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(CC(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001346495095 1150996299 /nfs/dbraw/zinc/99/62/99/1150996299.db2.gz KJRWVNWMXDEQFQ-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP O=C(C#CC1CC[NH2+]CC1)Nc1ccnc(N2CCCCC2)c1 ZINC001355426878 1152011140 /nfs/dbraw/zinc/01/11/40/1152011140.db2.gz QKRHPJRFXQTNCJ-UHFFFAOYSA-N 2 0 312.417 2.013 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001357327545 1152289218 /nfs/dbraw/zinc/28/92/18/1152289218.db2.gz XHSRRRAXIRDDMZ-CVEARBPZSA-N 2 0 307.413 2.228 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001382135992 1153373088 /nfs/dbraw/zinc/37/30/88/1153373088.db2.gz QIJPTUWVJGUJDE-GJZGRUSLSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001371633891 1155889296 /nfs/dbraw/zinc/88/92/96/1155889296.db2.gz KNEWNFZTFDAXOK-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001392014098 1156849303 /nfs/dbraw/zinc/84/93/03/1156849303.db2.gz JMNNSURISMUWJM-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)cnc2c1 ZINC001374753935 1158006710 /nfs/dbraw/zinc/00/67/10/1158006710.db2.gz BAOSCZOISOEFLS-LLVKDONJSA-N 2 0 306.797 2.103 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496102922 1158265835 /nfs/dbraw/zinc/26/58/35/1158265835.db2.gz JJFVUKVQCKOJSY-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001375616648 1158830036 /nfs/dbraw/zinc/83/00/36/1158830036.db2.gz SYFIKJUHPBSLDE-RRFJBIMHSA-N 2 0 315.889 2.294 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001376259317 1159299143 /nfs/dbraw/zinc/29/91/43/1159299143.db2.gz UCGKDRIVALFFTK-CQSZACIVSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001417839346 1167248373 /nfs/dbraw/zinc/24/83/73/1167248373.db2.gz KEEZLBCTRAZUTG-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001421432306 1171793744 /nfs/dbraw/zinc/79/37/44/1171793744.db2.gz NRDPCMSEZMCSIG-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001443920162 1183201910 /nfs/dbraw/zinc/20/19/10/1183201910.db2.gz UALKHLOUFTYCOS-ZIAGYGMSSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001443920155 1183202370 /nfs/dbraw/zinc/20/23/70/1183202370.db2.gz UALKHLOUFTYCOS-KBPBESRZSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072827584 790263987 /nfs/dbraw/zinc/26/39/87/790263987.db2.gz PQKQVJGLJHVWAO-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886526 790288506 /nfs/dbraw/zinc/28/85/06/790288506.db2.gz VHYAPEKCYYSVSE-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271951 782600426 /nfs/dbraw/zinc/60/04/26/782600426.db2.gz PZXHJKWFJGUYCL-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106570940 782791251 /nfs/dbraw/zinc/79/12/51/782791251.db2.gz FQTNTDFIPCTRPS-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001073035816 790409014 /nfs/dbraw/zinc/40/90/14/790409014.db2.gz VFAAEOPXSYMSBU-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821112 776652676 /nfs/dbraw/zinc/65/26/76/776652676.db2.gz LFYKPGZZLDMPOF-LPHOPBHVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425508 777018920 /nfs/dbraw/zinc/01/89/20/777018920.db2.gz GYLLULXTHGLRSG-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2c(C)ncc(C[NH3+])c2=N)cc1 ZINC001167677039 777592643 /nfs/dbraw/zinc/59/26/43/777592643.db2.gz GSFQYEVCUWBSER-GOSISDBHSA-N 2 0 323.444 2.442 20 30 DEEDRP C=CCOC(=O)N1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167841067 778700808 /nfs/dbraw/zinc/70/08/08/778700808.db2.gz JXEAIXBFKDHNHQ-INIZCTEOSA-N 2 0 311.470 2.437 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)CCc2cncn2C)CC1 ZINC001167942191 778969407 /nfs/dbraw/zinc/96/94/07/778969407.db2.gz CIBRBQJLGRPAEW-UHFFFAOYSA-N 2 0 318.465 2.195 20 30 DEEDRP C=C(C)C(=O)NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964606 779107931 /nfs/dbraw/zinc/10/79/31/779107931.db2.gz UQBBGNXUOJLHKC-ALOPSCKCSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749501 779437304 /nfs/dbraw/zinc/43/73/04/779437304.db2.gz OAHIHZZXZJMZPR-IXDOHACOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087993095 779619806 /nfs/dbraw/zinc/61/98/06/779619806.db2.gz ZIMIJCAQMFCTRQ-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129583 779718721 /nfs/dbraw/zinc/71/87/21/779718721.db2.gz VGFNVIXLRJRSMN-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311836 779935698 /nfs/dbraw/zinc/93/56/98/779935698.db2.gz IEAMJRKVRIJRHJ-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327231 779958925 /nfs/dbraw/zinc/95/89/25/779958925.db2.gz IKPYCKULHOTTSY-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576650 780772922 /nfs/dbraw/zinc/77/29/22/780772922.db2.gz KAAKYYRRQPLQAC-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCOCc1nn(C2CCC([NH+](C)C)CC2)c2c1C[NH2+]C2 ZINC001168318930 780835505 /nfs/dbraw/zinc/83/55/05/780835505.db2.gz IUJOXBSKSSARLV-UHFFFAOYSA-N 2 0 304.438 2.234 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418668 781257129 /nfs/dbraw/zinc/25/71/29/781257129.db2.gz JLKABCBAEDPTDJ-ZWKOTPCHSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948388427 783448521 /nfs/dbraw/zinc/44/85/21/783448521.db2.gz GAMNICUKLUWQTH-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583547 783512713 /nfs/dbraw/zinc/51/27/13/783512713.db2.gz UJYKAKQOSPYLOI-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594584 783517802 /nfs/dbraw/zinc/51/78/02/783517802.db2.gz OYJDNVRAJUXQID-QGZVFWFLSA-N 2 0 324.428 2.284 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085203580 783578915 /nfs/dbraw/zinc/57/89/15/783578915.db2.gz QTODJUYVTLAJFD-YLFCFFPRSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001085240434 783599837 /nfs/dbraw/zinc/59/98/37/783599837.db2.gz FKSOPGWBSHOHOX-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(C)C)CC1 ZINC001085431743 783680512 /nfs/dbraw/zinc/68/05/12/783680512.db2.gz RLXZOIYSQZZTAR-QZTJIDSGSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639224 783916025 /nfs/dbraw/zinc/91/60/25/783916025.db2.gz KVEIOCANFYTRJC-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724468 784020478 /nfs/dbraw/zinc/02/04/78/784020478.db2.gz WSARGVAFDBHKLQ-QGZVFWFLSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461040 784399368 /nfs/dbraw/zinc/39/93/68/784399368.db2.gz ZIQCFONVNWJTER-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516441 784439738 /nfs/dbraw/zinc/43/97/38/784439738.db2.gz AZAWMPSCSJMXFH-QAPCUYQASA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882155 784635242 /nfs/dbraw/zinc/63/52/42/784635242.db2.gz IPIJGWQFCHTNTO-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882041 784635971 /nfs/dbraw/zinc/63/59/71/784635971.db2.gz FWNWMNIRZFYUHC-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882748 784636277 /nfs/dbraw/zinc/63/62/77/784636277.db2.gz TYSOAXHPPYNLHO-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086502810 784798044 /nfs/dbraw/zinc/79/80/44/784798044.db2.gz PCAMXUOMBQXQDL-QBPKDAKJSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797426 785361876 /nfs/dbraw/zinc/36/18/76/785361876.db2.gz FTLHGQALVREOLU-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821277 785561763 /nfs/dbraw/zinc/56/17/63/785561763.db2.gz GRBDVVWQXXCBLC-BBWFWOEESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001091385747 791127363 /nfs/dbraw/zinc/12/73/63/791127363.db2.gz PUBWRIALGOPOLB-UHFFFAOYSA-N 2 0 319.449 2.405 20 30 DEEDRP 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 785988707 /nfs/dbraw/zinc/98/87/07/785988707.db2.gz WAJXZUMHMMONHK-LTIDMASMSA-N 2 0 307.482 2.260 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109976105 786117081 /nfs/dbraw/zinc/11/70/81/786117081.db2.gz ROXDZDUELCVGCL-YVSFHVDLSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002667 786126193 /nfs/dbraw/zinc/12/61/93/786126193.db2.gz PJJCQMWKCNKLAP-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112865046 786262489 /nfs/dbraw/zinc/26/24/89/786262489.db2.gz QHBHMIZQZMYYPH-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113644485 786742891 /nfs/dbraw/zinc/74/28/91/786742891.db2.gz ZWSIKTVKTFJYKU-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113676557 786756018 /nfs/dbraw/zinc/75/60/18/786756018.db2.gz XCCIUQSXZUPIJM-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001137552891 787536627 /nfs/dbraw/zinc/53/66/27/787536627.db2.gz HPPFKCGDEHKBOM-SJORKVTESA-N 2 0 315.461 2.226 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210876 787967729 /nfs/dbraw/zinc/96/77/29/787967729.db2.gz KMZKNMSBLLPNHE-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP 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 788249492 /nfs/dbraw/zinc/24/94/92/788249492.db2.gz HYUNIYGOBHPSBR-ZXFNITATSA-N 2 0 323.456 2.106 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121960 788287542 /nfs/dbraw/zinc/28/75/42/788287542.db2.gz MUTDIHIDDNYOBF-DLBZAZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133194547 788313377 /nfs/dbraw/zinc/31/33/77/788313377.db2.gz HFXSFOZNTPHHSG-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133250225 788334132 /nfs/dbraw/zinc/33/41/32/788334132.db2.gz RKTGJNJQWNDUEX-GJZGRUSLSA-N 2 0 316.449 2.021 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134892081 789123858 /nfs/dbraw/zinc/12/38/58/789123858.db2.gz JUYSCTYZXGZYHX-KGLIPLIRSA-N 2 0 300.406 2.397 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170789936 789188568 /nfs/dbraw/zinc/18/85/68/789188568.db2.gz RZJFVONNKZCBIE-KBAYOESNSA-N 2 0 301.434 2.002 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675971 789442891 /nfs/dbraw/zinc/44/28/91/789442891.db2.gz OFKCFQQYYTVDOA-JKSUJKDBSA-N 2 0 315.461 2.258 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827435 789514850 /nfs/dbraw/zinc/51/48/50/789514850.db2.gz WOEMURFAFNJTFY-CVEARBPZSA-N 2 0 307.482 2.003 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827438 789515082 /nfs/dbraw/zinc/51/50/82/789515082.db2.gz WOEMURFAFNJTFY-JKSUJKDBSA-N 2 0 307.482 2.003 20 30 DEEDRP N#Cc1c(Cl)cc(Br)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900027 789644562 /nfs/dbraw/zinc/64/45/62/789644562.db2.gz HGNCEDGELTVXTI-NSHDSACASA-N 2 0 317.618 2.410 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071650888 789841666 /nfs/dbraw/zinc/84/16/66/789841666.db2.gz DWJIUIMCUARLJF-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820672 789929406 /nfs/dbraw/zinc/92/94/06/789929406.db2.gz BQTGGVANJHNOMA-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957591 789987369 /nfs/dbraw/zinc/98/73/69/789987369.db2.gz KVFUHWHPLNNBJO-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260853 791179577 /nfs/dbraw/zinc/17/95/77/791179577.db2.gz NHBNUGGGEZRVCM-AWEZNQCLSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584703 791310236 /nfs/dbraw/zinc/31/02/36/791310236.db2.gz UNEGBMSFFITSNI-JKSUJKDBSA-N 2 0 315.461 2.258 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC=C)CC1 ZINC001146614570 791324475 /nfs/dbraw/zinc/32/44/75/791324475.db2.gz YPAJFVVZWMHUDD-DLBZAZTESA-N 2 0 319.493 2.171 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147348926 791512645 /nfs/dbraw/zinc/51/26/45/791512645.db2.gz JZHXKASHOAAHAG-AWEZNQCLSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001147590878 791577712 /nfs/dbraw/zinc/57/77/12/791577712.db2.gz SKLNAYCVMNRKLT-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315549 791736702 /nfs/dbraw/zinc/73/67/02/791736702.db2.gz OKQWVDLDDMJRGR-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527850 792230943 /nfs/dbraw/zinc/23/09/43/792230943.db2.gz DNNPUBAHBAUBCV-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562312 792721392 /nfs/dbraw/zinc/72/13/92/792721392.db2.gz IRIKYTFIFUXGKB-UHFFFAOYSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101285223 793101891 /nfs/dbraw/zinc/10/18/91/793101891.db2.gz TXBPLEXVDZIICU-APWZRJJASA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001101575103 793240336 /nfs/dbraw/zinc/24/03/36/793240336.db2.gz TTZGMLSIWBSJMU-RDJZCZTQSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001101575102 793240376 /nfs/dbraw/zinc/24/03/76/793240376.db2.gz TTZGMLSIWBSJMU-NVXWUHKLSA-N 2 0 321.509 2.225 20 30 DEEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101594470 793258227 /nfs/dbraw/zinc/25/82/27/793258227.db2.gz DKMFUUWQGQISNR-INIZCTEOSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171922673 793261180 /nfs/dbraw/zinc/26/11/80/793261180.db2.gz ANGWZTIPKPPKCT-FUHWJXTLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCOCC)CC1 ZINC001172428200 793420342 /nfs/dbraw/zinc/42/03/42/793420342.db2.gz ZOEDPWUFWRXTJM-GOSISDBHSA-N 2 0 309.498 2.093 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001094986899 793544282 /nfs/dbraw/zinc/54/42/82/793544282.db2.gz RZNQUKXQIHJSSR-BPUTZDHNSA-N 2 0 317.433 2.110 20 30 DEEDRP C[NH+](C)CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968706 793546626 /nfs/dbraw/zinc/54/66/26/793546626.db2.gz SBOVUJZDZMCIPA-GJZGRUSLSA-N 2 0 324.469 2.209 20 30 DEEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)C(C)(C)[NH3+])C[C@H]1C#N ZINC001172973072 793547245 /nfs/dbraw/zinc/54/72/45/793547245.db2.gz ABLIDYLAQXDGIX-OLZOCXBDSA-N 2 0 324.469 2.384 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375608 793593632 /nfs/dbraw/zinc/59/36/32/793593632.db2.gz SUHSCNNRJDCGPE-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141921 793955234 /nfs/dbraw/zinc/95/52/34/793955234.db2.gz ZSFLWNZGJYSTJX-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103150080 793958416 /nfs/dbraw/zinc/95/84/16/793958416.db2.gz WPEWAFHMMTWRDQ-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751663 794212120 /nfs/dbraw/zinc/21/21/20/794212120.db2.gz LMWOAHCZBITEDY-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175581692 794248337 /nfs/dbraw/zinc/24/83/37/794248337.db2.gz RSDGTQZUCZDKNZ-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001115057395 794370339 /nfs/dbraw/zinc/37/03/39/794370339.db2.gz BGHVUUHEVVMPGH-PIIMJCKOSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788658 794481735 /nfs/dbraw/zinc/48/17/35/794481735.db2.gz JAYDCIQFWSDWGP-JZXOWHBKSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111951054 794533532 /nfs/dbraw/zinc/53/35/32/794533532.db2.gz QJCRWMJCHNTIHJ-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396825 794622256 /nfs/dbraw/zinc/62/22/56/794622256.db2.gz GQDKZNYHIQQKIW-WMZOPIPTSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCCC1 ZINC001115538495 794813143 /nfs/dbraw/zinc/81/31/43/794813143.db2.gz LBAGQSJPGHCSOX-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115562640 794822519 /nfs/dbraw/zinc/82/25/19/794822519.db2.gz DIOMJFIIJPDHTI-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573007 794826351 /nfs/dbraw/zinc/82/63/51/794826351.db2.gz CWQUXPBOKFANLC-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCCC1 ZINC001115614473 794842593 /nfs/dbraw/zinc/84/25/93/794842593.db2.gz FTADGFLEACTKLB-UHFFFAOYSA-N 2 0 317.477 2.047 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697912 794884247 /nfs/dbraw/zinc/88/42/47/794884247.db2.gz NFOGSMSHVKSNGC-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730990 794899628 /nfs/dbraw/zinc/89/96/28/794899628.db2.gz XADNGCVSQBQEHY-CVEARBPZSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178688443 794975432 /nfs/dbraw/zinc/97/54/32/794975432.db2.gz CWVZGHNWDLLLIQ-YESZJQIVSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)[C@H]1C ZINC001179516481 795124658 /nfs/dbraw/zinc/12/46/58/795124658.db2.gz CEWJFHHJKGQMOZ-ZNMIVQPWSA-N 2 0 316.449 2.375 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001121798992 795688847 /nfs/dbraw/zinc/68/88/47/795688847.db2.gz VYQDPOWPXMJCAT-HVEGKCCWSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001121922278 795704184 /nfs/dbraw/zinc/70/41/84/795704184.db2.gz YPNVWVRFSYBHPA-KRWDZBQOSA-N 2 0 319.449 2.273 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001122018905 795717097 /nfs/dbraw/zinc/71/70/97/795717097.db2.gz ZLIQBWAKJIZUTF-QGZVFWFLSA-N 2 0 321.440 2.400 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001183076141 795795922 /nfs/dbraw/zinc/79/59/22/795795922.db2.gz ADGXTGNFTJEIGA-VQIMIIECSA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184734882 796117935 /nfs/dbraw/zinc/11/79/35/796117935.db2.gz LWYCTGVLXYZAIV-WBVHZDCISA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185549644 796279725 /nfs/dbraw/zinc/27/97/25/796279725.db2.gz QTLCDHDAYPPEHT-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659735 796301040 /nfs/dbraw/zinc/30/10/40/796301040.db2.gz PSOFTDORFCVUNI-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185680960 796308434 /nfs/dbraw/zinc/30/84/34/796308434.db2.gz HYFNNGKRXDEVGR-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027104 796513054 /nfs/dbraw/zinc/51/30/54/796513054.db2.gz CMYPBGVGHGJGCP-HOTGVXAUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139866 796631839 /nfs/dbraw/zinc/63/18/39/796631839.db2.gz SXRPLFKHPLUZKN-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139865 796631982 /nfs/dbraw/zinc/63/19/82/796631982.db2.gz SXRPLFKHPLUZKN-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203731397 797115856 /nfs/dbraw/zinc/11/58/56/797115856.db2.gz NZAGQTFIXIKVJX-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679895 797430172 /nfs/dbraw/zinc/43/01/72/797430172.db2.gz HSCRXVHDMBPJCD-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001154083282 797457876 /nfs/dbraw/zinc/45/78/76/797457876.db2.gz PBFUCRCSXPRGCN-HZPDHXFCSA-N 2 0 318.465 2.238 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193499691 797576217 /nfs/dbraw/zinc/57/62/17/797576217.db2.gz KXLIINVKSDICCG-HNNXBMFYSA-N 2 0 316.449 2.260 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203781262 797587178 /nfs/dbraw/zinc/58/71/78/797587178.db2.gz JVWMFQBFUKALBK-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194265251 797702669 /nfs/dbraw/zinc/70/26/69/797702669.db2.gz COLPZFQJJBOCAK-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266362 797702828 /nfs/dbraw/zinc/70/28/28/797702828.db2.gz QBTVRENUFYPQFR-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865606 797977924 /nfs/dbraw/zinc/97/79/24/797977924.db2.gz MVIMOYAUEYDRHT-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP N#Cc1c2c(sc1Nc1cccc(OCC[NH3+])c1)C[NH2+]CC2 ZINC001159158191 798530791 /nfs/dbraw/zinc/53/07/91/798530791.db2.gz YGSGCPZQADMMJV-UHFFFAOYSA-N 2 0 314.414 2.347 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200508347 798642540 /nfs/dbraw/zinc/64/25/40/798642540.db2.gz ZZAFCTAYJCNQEP-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119668 798649595 /nfs/dbraw/zinc/64/95/95/798649595.db2.gz FVRCJFBTNMYMRV-SFHVURJKSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160500416 798696001 /nfs/dbraw/zinc/69/60/01/798696001.db2.gz NSKICGSZMTYJFC-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160560085 798705085 /nfs/dbraw/zinc/70/50/85/798705085.db2.gz VWILLOFFMOUWMC-UHFFFAOYSA-N 2 0 322.412 2.028 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201229649 798723096 /nfs/dbraw/zinc/72/30/96/798723096.db2.gz FHVGZRRHCHQXNH-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201240170 798724866 /nfs/dbraw/zinc/72/48/66/798724866.db2.gz PCXPILBMTZMMCH-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP COc1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C#N)c1 ZINC001201658869 798786350 /nfs/dbraw/zinc/78/63/50/798786350.db2.gz LGMMBLTZROICAE-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207431 798810885 /nfs/dbraw/zinc/81/08/85/798810885.db2.gz UDHNQSDUHYOFLH-SJLPKXTDSA-N 2 0 319.493 2.289 20 30 DEEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390845 798845458 /nfs/dbraw/zinc/84/54/58/798845458.db2.gz LVOZSHCULBLCQP-GOSISDBHSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202301615 798860733 /nfs/dbraw/zinc/86/07/33/798860733.db2.gz FHSRSDIENJMVDK-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001114465862 799130605 /nfs/dbraw/zinc/13/06/05/799130605.db2.gz KVWVIPXRIFTMFY-XDNAFOTISA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1 ZINC001163147279 799260999 /nfs/dbraw/zinc/26/09/99/799260999.db2.gz MTVRAWVIDTUQTJ-NCXUSEDFSA-N 2 0 313.445 2.408 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165735466 799766795 /nfs/dbraw/zinc/76/67/95/799766795.db2.gz AHHDGZDVMANXDR-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165976992 799807337 /nfs/dbraw/zinc/80/73/37/799807337.db2.gz XIOWCABHONEIAV-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203632569 800095259 /nfs/dbraw/zinc/09/52/59/800095259.db2.gz UZWAWMLCPYWGCW-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204793844 800257999 /nfs/dbraw/zinc/25/79/99/800257999.db2.gz PHDFAJYUDGWVMW-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP CN(C)c1ccc(CN2CCC[C@](C)([NH3+])CC2)c(F)c1C#N ZINC001205287910 800336218 /nfs/dbraw/zinc/33/62/18/800336218.db2.gz DACYTRYCTJQDHK-KRWDZBQOSA-N 2 0 304.413 2.467 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483423 800362544 /nfs/dbraw/zinc/36/25/44/800362544.db2.gz CYPFJGMRHQJRKI-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628737 800568262 /nfs/dbraw/zinc/56/82/62/800568262.db2.gz SONMAIZSZIIRDM-GOSISDBHSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCOC(=O)N1CCC2(C[NH+](CC3CC[NH+](C)CC3)C2)CC1 ZINC001207392199 800742984 /nfs/dbraw/zinc/74/29/84/800742984.db2.gz WHLFXTBWBAZBRX-UHFFFAOYSA-N 2 0 321.465 2.049 20 30 DEEDRP 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 800856125 /nfs/dbraw/zinc/85/61/25/800856125.db2.gz LMRWYKSIKNYYQM-ZJPYXAASSA-N 2 0 319.493 2.098 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163157 800922522 /nfs/dbraw/zinc/92/25/22/800922522.db2.gz DIFIBKPYEKNNEN-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208473788 800990787 /nfs/dbraw/zinc/99/07/87/800990787.db2.gz DXSGGPCFABECFL-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208757131 801064119 /nfs/dbraw/zinc/06/41/19/801064119.db2.gz BZUIDXDSZBXXEQ-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209250065 801159215 /nfs/dbraw/zinc/15/92/15/801159215.db2.gz ATAZYWNYNJAVHP-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230171826 801367898 /nfs/dbraw/zinc/36/78/98/801367898.db2.gz MKNSQDGWDVHQJR-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210584668 801426143 /nfs/dbraw/zinc/42/61/43/801426143.db2.gz JPNNCPPYMVUDTH-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230628930 801442119 /nfs/dbraw/zinc/44/21/19/801442119.db2.gz LHLVPUTUNLVEKN-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001216413056 801972586 /nfs/dbraw/zinc/97/25/86/801972586.db2.gz CBNKABLFIWEDKR-GDBMZVCRSA-N 2 0 316.449 2.164 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839568 802031875 /nfs/dbraw/zinc/03/18/75/802031875.db2.gz YLBNLPHPKQJDDX-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216845057 802032543 /nfs/dbraw/zinc/03/25/43/802032543.db2.gz VRNOVNCWPMXFNW-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790681 802615538 /nfs/dbraw/zinc/61/55/38/802615538.db2.gz VHLMQGBETFDNRT-CGTJXYLNSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790682 802616054 /nfs/dbraw/zinc/61/60/54/802616054.db2.gz VHLMQGBETFDNRT-KBAYOESNSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489236 802794969 /nfs/dbraw/zinc/79/49/69/802794969.db2.gz KRDIMRBDBNMKPN-KURKYZTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001225277615 802950057 /nfs/dbraw/zinc/95/00/57/802950057.db2.gz CYCIBFYUIQWABS-IBGZPJMESA-N 2 0 319.493 2.267 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001226267288 803081688 /nfs/dbraw/zinc/08/16/88/803081688.db2.gz FPKZSWQLRDWGRZ-IAGOWNOFSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227083287 803196824 /nfs/dbraw/zinc/19/68/24/803196824.db2.gz REMRGUPWVAPZRI-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001227381537 803235465 /nfs/dbraw/zinc/23/54/65/803235465.db2.gz VODPUXDFZJFPJA-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807003 803282570 /nfs/dbraw/zinc/28/25/70/803282570.db2.gz KBXXBOIMQHIIAO-OAHLLOKOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227817922 803284136 /nfs/dbraw/zinc/28/41/36/803284136.db2.gz PDULCHPGRPLUHN-RHSMWYFYSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227868558 803290272 /nfs/dbraw/zinc/29/02/72/803290272.db2.gz VIDCYUNHAMXSSN-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001228924846 803431202 /nfs/dbraw/zinc/43/12/02/803431202.db2.gz KEIWNYYPNBVKBC-KZNAEPCWSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001330668313 1149246358 /nfs/dbraw/zinc/24/63/58/1149246358.db2.gz UDJLVVOXPFUKPU-LUKYLMHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001330822546 1149306794 /nfs/dbraw/zinc/30/67/94/1149306794.db2.gz UCMCLWBBAMTUCB-QLFBSQMISA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001418345553 1167588199 /nfs/dbraw/zinc/58/81/99/1167588199.db2.gz BHPPLFHDQZQXNC-AWEZNQCLSA-N 2 0 315.889 2.155 20 30 DEEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCCCC[NH3+] ZINC001575081394 1069358330 /nfs/dbraw/zinc/35/83/30/1069358330.db2.gz FVBQNCJKZCFTNT-AWEZNQCLSA-N 2 0 302.422 2.336 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001328588967 1148813456 /nfs/dbraw/zinc/81/34/56/1148813456.db2.gz RJMLKFAZMRQZOJ-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)Cc1ccccc1 ZINC001499957691 1058401753 /nfs/dbraw/zinc/40/17/53/1058401753.db2.gz HXRIWSAMZFGKOD-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC(C)C)CC1 ZINC001500048460 1058451795 /nfs/dbraw/zinc/45/17/95/1058451795.db2.gz MDUNNWSVDXGWPE-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001500444766 1058787880 /nfs/dbraw/zinc/78/78/80/1058787880.db2.gz VPNAWTVVYQCQOC-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001501190038 1059361672 /nfs/dbraw/zinc/36/16/72/1059361672.db2.gz MPCOZKFKOPUQCT-BRSBDYLESA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH+]1CCc2c(CNC(=O)CC[N@@H+](C)CC)cccc2C1 ZINC001501857008 1059743015 /nfs/dbraw/zinc/74/30/15/1059743015.db2.gz XKRFUQABGCHZBG-UHFFFAOYSA-N 2 0 315.461 2.189 20 30 DEEDRP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001502532102 1060168101 /nfs/dbraw/zinc/16/81/01/1060168101.db2.gz JZYRNIXBOVTZDD-GOSISDBHSA-N 2 0 315.461 2.057 20 30 DEEDRP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001503677690 1060457914 /nfs/dbraw/zinc/45/79/14/1060457914.db2.gz JBMGRDUFJZJVQM-GOSISDBHSA-N 2 0 315.461 2.230 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001479687532 1061600349 /nfs/dbraw/zinc/60/03/49/1061600349.db2.gz IRZLHRHBZXUPIH-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001479738539 1061664389 /nfs/dbraw/zinc/66/43/89/1061664389.db2.gz FNXZHYRWHVCNHJ-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506679179 1062272048 /nfs/dbraw/zinc/27/20/48/1062272048.db2.gz NGUGTQGEQVDQNZ-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506745391 1062353706 /nfs/dbraw/zinc/35/37/06/1062353706.db2.gz VEIYCAQFGIJBFL-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001506885960 1062470901 /nfs/dbraw/zinc/47/09/01/1062470901.db2.gz XVQCAGATZLQHTD-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001506888240 1062474558 /nfs/dbraw/zinc/47/45/58/1062474558.db2.gz XGTSRXKSQXJZRI-XSLAGTTESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480255376 1062534122 /nfs/dbraw/zinc/53/41/22/1062534122.db2.gz VJXOTFHPKWUCLY-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480282913 1062583684 /nfs/dbraw/zinc/58/36/84/1062583684.db2.gz FRKYMUIAONAKEN-CQSZACIVSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001480288480 1062589944 /nfs/dbraw/zinc/58/99/44/1062589944.db2.gz QEOGHBAIBGYXAP-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480385275 1062769572 /nfs/dbraw/zinc/76/95/72/1062769572.db2.gz ZMCANHLFJYEELH-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480385273 1062771108 /nfs/dbraw/zinc/77/11/08/1062771108.db2.gz ZMCANHLFJYEELH-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493966175 1064047883 /nfs/dbraw/zinc/04/78/83/1064047883.db2.gz BHTJEQYBCKNBBJ-QGZVFWFLSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001494171123 1064153997 /nfs/dbraw/zinc/15/39/97/1064153997.db2.gz GTJMTTLTWMYTGY-KRWDZBQOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001567442892 1064201206 /nfs/dbraw/zinc/20/12/06/1064201206.db2.gz NRWBXYOVYNRZIN-BFYDXBDKSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001494557076 1064316645 /nfs/dbraw/zinc/31/66/45/1064316645.db2.gz DQKSMYATGUYBFW-UHFFFAOYSA-N 2 0 321.490 2.438 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567692555 1064349323 /nfs/dbraw/zinc/34/93/23/1064349323.db2.gz COAGOCAALTYQLB-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567701245 1064357580 /nfs/dbraw/zinc/35/75/80/1064357580.db2.gz FOIGUHIBRHGCIJ-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001567738831 1064394254 /nfs/dbraw/zinc/39/42/54/1064394254.db2.gz SVPCBWYJFMHRAE-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001567740850 1064394800 /nfs/dbraw/zinc/39/48/00/1064394800.db2.gz FXYIMYKCVHZLPH-SFHVURJKSA-N 2 0 315.461 2.085 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001567752389 1064403481 /nfs/dbraw/zinc/40/34/81/1064403481.db2.gz QOKJXBJCJHALFS-WMZOPIPTSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001567751788 1064403984 /nfs/dbraw/zinc/40/39/84/1064403984.db2.gz SNBVWJYNNOLXNY-UHFFFAOYSA-N 2 0 304.438 2.089 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875369 1064536077 /nfs/dbraw/zinc/53/60/77/1064536077.db2.gz HIRZDRKYLMBKML-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001568019740 1064598627 /nfs/dbraw/zinc/59/86/27/1064598627.db2.gz HYVMEKZZNFSBDW-LZLYRXPVSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001568125946 1064659510 /nfs/dbraw/zinc/65/95/10/1064659510.db2.gz JWDXUKCQVLZQQZ-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001495319566 1064828937 /nfs/dbraw/zinc/82/89/37/1064828937.db2.gz HJCYCANFALJWPQ-XJKSGUPXSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001495427341 1064899059 /nfs/dbraw/zinc/89/90/59/1064899059.db2.gz BQHGYEIGMRMXBZ-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001495490704 1064943109 /nfs/dbraw/zinc/94/31/09/1064943109.db2.gz UHDXSVMMTOIDAQ-SFHVURJKSA-N 2 0 315.461 2.453 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001495505822 1064953474 /nfs/dbraw/zinc/95/34/74/1064953474.db2.gz RQBXBAYREOSCPF-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001569400274 1065489174 /nfs/dbraw/zinc/48/91/74/1065489174.db2.gz KQKCEVWLHAZHSY-CVEARBPZSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001569400276 1065489203 /nfs/dbraw/zinc/48/92/03/1065489203.db2.gz KQKCEVWLHAZHSY-HOTGVXAUSA-N 2 0 307.482 2.452 20 30 DEEDRP CC#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001569449860 1065514680 /nfs/dbraw/zinc/51/46/80/1065514680.db2.gz LAGCGGXFYNQCMM-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001569603632 1065617245 /nfs/dbraw/zinc/61/72/45/1065617245.db2.gz CEEFOQZEBAZYAT-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569711530 1065683142 /nfs/dbraw/zinc/68/31/42/1065683142.db2.gz DWLBTAFQQUGJST-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP 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 1065782854 /nfs/dbraw/zinc/78/28/54/1065782854.db2.gz SPPIVVYMMIDXMI-HSFUPAIVSA-N 2 0 319.493 2.072 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001570263183 1065995765 /nfs/dbraw/zinc/99/57/65/1065995765.db2.gz DYJJORFEFZJOIJ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001570374065 1066038204 /nfs/dbraw/zinc/03/82/04/1066038204.db2.gz HJTHCWVACHOBJN-OAHLLOKOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001570387868 1066043440 /nfs/dbraw/zinc/04/34/40/1066043440.db2.gz RZHHDUBGUVRHHQ-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001483445497 1078537850 /nfs/dbraw/zinc/53/78/50/1078537850.db2.gz XVLIYBUKAMIEHO-IAGOWNOFSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001267094885 1078568819 /nfs/dbraw/zinc/56/88/19/1078568819.db2.gz WAHDEGSLQDRAMQ-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001570796622 1068119671 /nfs/dbraw/zinc/11/96/71/1068119671.db2.gz XNBVXNJTAIWIQE-KRWDZBQOSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001570825551 1068130530 /nfs/dbraw/zinc/13/05/30/1068130530.db2.gz UVHLIFKPLYRWTC-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001571017122 1068173937 /nfs/dbraw/zinc/17/39/37/1068173937.db2.gz YFBCZWYXGPRILU-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001571132165 1068184280 /nfs/dbraw/zinc/18/42/80/1068184280.db2.gz IUHLMZWGQQXWPH-WKILWMFISA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001571129404 1068184465 /nfs/dbraw/zinc/18/44/65/1068184465.db2.gz GSHWYBYITJLKIB-QAETUUGQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001329232007 1148876446 /nfs/dbraw/zinc/87/64/46/1148876446.db2.gz ZAHXVEDKWKMGJT-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@H](CCNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001571353029 1068242287 /nfs/dbraw/zinc/24/22/87/1068242287.db2.gz JCPASECEOCQPRE-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001571390576 1068271043 /nfs/dbraw/zinc/27/10/43/1068271043.db2.gz JIUCKHSHGGODHR-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001571557786 1068419036 /nfs/dbraw/zinc/41/90/36/1068419036.db2.gz VRMSESNULUFEAM-DLBZAZTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001571558693 1068420409 /nfs/dbraw/zinc/42/04/09/1068420409.db2.gz OYOUMSFWTOFLNK-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001571648692 1068458294 /nfs/dbraw/zinc/45/82/94/1068458294.db2.gz BEJLUGXCDVNBNU-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267588061 1079095762 /nfs/dbraw/zinc/09/57/62/1079095762.db2.gz FIDBLOQEASZEPJ-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845929 1079148838 /nfs/dbraw/zinc/14/88/38/1079148838.db2.gz SQUJVIZRNKRQRJ-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483918419 1079183914 /nfs/dbraw/zinc/18/39/14/1079183914.db2.gz ZGIHJFRDYKHHMX-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484160002 1079335317 /nfs/dbraw/zinc/33/53/17/1079335317.db2.gz AEAWJNXQCPHUEO-NUJGCVRESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566076315 1075225262 /nfs/dbraw/zinc/22/52/62/1075225262.db2.gz VTHARJOSYWAHIE-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001566709025 1075322841 /nfs/dbraw/zinc/32/28/41/1075322841.db2.gz ONVVCSDVYFVAOQ-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001566748500 1075334355 /nfs/dbraw/zinc/33/43/55/1075334355.db2.gz FIYWTBNFKBIXON-MWDXBVQZSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001566766885 1075339745 /nfs/dbraw/zinc/33/97/45/1075339745.db2.gz XBGDNIWWLMUZED-DOTOQJQBSA-N 2 0 305.466 2.160 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001566800910 1075347919 /nfs/dbraw/zinc/34/79/19/1075347919.db2.gz KOJBJOCGNLAWTR-JFIYKMOQSA-N 2 0 317.477 2.044 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566875512 1075370910 /nfs/dbraw/zinc/37/09/10/1075370910.db2.gz WFLPHWKBBBKPAO-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001567178467 1075454464 /nfs/dbraw/zinc/45/44/64/1075454464.db2.gz OHTYRSUBTNAUBE-MSOLQXFVSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267764743 1079468512 /nfs/dbraw/zinc/46/85/12/1079468512.db2.gz YMDKGQXAZNYKSH-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339100 1079549974 /nfs/dbraw/zinc/54/99/74/1079549974.db2.gz STMRKCXKDWWDGG-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267915291 1079597902 /nfs/dbraw/zinc/59/79/02/1079597902.db2.gz BNOIKBIIHXPCTF-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001484818120 1079812268 /nfs/dbraw/zinc/81/22/68/1079812268.db2.gz WROQHZHKRRHSAL-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001484937545 1079868549 /nfs/dbraw/zinc/86/85/49/1079868549.db2.gz PFOMTHZYMJYORZ-DLBZAZTESA-N 2 0 321.509 2.347 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481451737 1079876077 /nfs/dbraw/zinc/87/60/77/1079876077.db2.gz RRFZLORFVYAAGN-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001485104598 1079983478 /nfs/dbraw/zinc/98/34/78/1079983478.db2.gz ANLCUKHLZPYREV-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268082321 1080036032 /nfs/dbraw/zinc/03/60/32/1080036032.db2.gz VWSPWUUVMQKKHP-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001670783903 1080073253 /nfs/dbraw/zinc/07/32/53/1080073253.db2.gz AZFQQCOJJLQEPZ-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(Br)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657147225 1080158935 /nfs/dbraw/zinc/15/89/35/1080158935.db2.gz RNNNALLIDQZIOR-UHFFFAOYSA-N 2 0 324.266 2.437 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001485524907 1080282327 /nfs/dbraw/zinc/28/23/27/1080282327.db2.gz CAZLQLBUPGPDNX-HNNXBMFYSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001485723657 1080391484 /nfs/dbraw/zinc/39/14/84/1080391484.db2.gz GTVJFBKXQTUUAL-FUHWJXTLSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661598520 1080498640 /nfs/dbraw/zinc/49/86/40/1080498640.db2.gz YCHCOJBQUREPRH-MWDXBVQZSA-N 2 0 307.482 2.451 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481782891 1080501492 /nfs/dbraw/zinc/50/14/92/1080501492.db2.gz SZAAVAUUBUXIBD-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661690234 1080507473 /nfs/dbraw/zinc/50/74/73/1080507473.db2.gz LPTPAGOMPFABNM-IXDOHACOSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001482010891 1080686345 /nfs/dbraw/zinc/68/63/45/1080686345.db2.gz WQUNWQDUGRDOIX-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001482068058 1080774726 /nfs/dbraw/zinc/77/47/26/1080774726.db2.gz AHDBJXCLMCNRNT-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001664687095 1080942159 /nfs/dbraw/zinc/94/21/59/1080942159.db2.gz PEXUMLVKLQTJOD-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001664755814 1080955398 /nfs/dbraw/zinc/95/53/98/1080955398.db2.gz YTNRNLWHXRIHII-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001664760814 1080957152 /nfs/dbraw/zinc/95/71/52/1080957152.db2.gz ZGLHDGHUMRYESH-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001665429027 1081028299 /nfs/dbraw/zinc/02/82/99/1081028299.db2.gz OHDBXVUCMPFAED-IRXDYDNUSA-N 2 0 307.482 2.338 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001665686310 1081062827 /nfs/dbraw/zinc/06/28/27/1081062827.db2.gz HPKPVITUXGDGTC-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001666577467 1081163734 /nfs/dbraw/zinc/16/37/34/1081163734.db2.gz FCTFKSHXPVJMRY-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001666913496 1081192909 /nfs/dbraw/zinc/19/29/09/1081192909.db2.gz CSJQJRNPMWIDJT-ZDUSSCGKSA-N 2 0 309.479 2.436 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001667151054 1081216787 /nfs/dbraw/zinc/21/67/87/1081216787.db2.gz JHOAYDZKKJUFGE-NVXWUHKLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+](C)CCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001667421012 1081250994 /nfs/dbraw/zinc/25/09/94/1081250994.db2.gz JCOSDFOOWARYRJ-MRXNPFEDSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001667668917 1081271154 /nfs/dbraw/zinc/27/11/54/1081271154.db2.gz HKZJJBCRKXZMAH-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001269735698 1081349821 /nfs/dbraw/zinc/34/98/21/1081349821.db2.gz DBIIGPKWCMPZRD-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001673596959 1081361768 /nfs/dbraw/zinc/36/17/68/1081361768.db2.gz AGPBJIVTXBHKAE-OAHLLOKOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668883796 1081407034 /nfs/dbraw/zinc/40/70/34/1081407034.db2.gz SZYDLQGBHBBEIR-RTRPANQVSA-N 2 0 319.493 2.479 20 30 DEEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001270338803 1081504636 /nfs/dbraw/zinc/50/46/36/1081504636.db2.gz REELMMYSGZIUNU-BQYQJAHWSA-N 2 0 319.493 2.221 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC)CC1 ZINC001270358654 1081508366 /nfs/dbraw/zinc/50/83/66/1081508366.db2.gz LXNIEYRVNAHCDG-AEFFLSMTSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001671829623 1081541981 /nfs/dbraw/zinc/54/19/81/1081541981.db2.gz GDZXYSLSDKLMIX-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001270616815 1081564614 /nfs/dbraw/zinc/56/46/14/1081564614.db2.gz YPGBKVDGBDUYRR-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001672234290 1081570500 /nfs/dbraw/zinc/57/05/00/1081570500.db2.gz JQDKGWYZKULNJR-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001673168721 1081743478 /nfs/dbraw/zinc/74/34/78/1081743478.db2.gz SUTXICCGAODIFH-MRXNPFEDSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001673651411 1081788613 /nfs/dbraw/zinc/78/86/13/1081788613.db2.gz VEPOFFVJFAKTGV-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001673993320 1081822435 /nfs/dbraw/zinc/82/24/35/1081822435.db2.gz IWUCYAXPXAAHRU-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001271318868 1082011250 /nfs/dbraw/zinc/01/12/50/1082011250.db2.gz XXDFCNAQNOWQDW-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266472666 1082059216 /nfs/dbraw/zinc/05/92/16/1082059216.db2.gz OPOGWUHZDSATTJ-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271656142 1082101909 /nfs/dbraw/zinc/10/19/09/1082101909.db2.gz PXNSYBZXZMQQQH-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+](C)CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001271790136 1082155227 /nfs/dbraw/zinc/15/52/27/1082155227.db2.gz GHWRCMCVJLYYCM-UHFFFAOYSA-N 2 0 321.509 2.302 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001271907187 1082188868 /nfs/dbraw/zinc/18/88/68/1082188868.db2.gz CBJLGUMJQOLMIW-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001266884572 1082429668 /nfs/dbraw/zinc/42/96/68/1082429668.db2.gz QJSIFYMSRRUPPC-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001272094081 1082465045 /nfs/dbraw/zinc/46/50/45/1082465045.db2.gz ZBVZDLKHTUKOBE-KRWDZBQOSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482864269 1082535083 /nfs/dbraw/zinc/53/50/83/1082535083.db2.gz HZAJIOZKYULMAC-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436781 1083393906 /nfs/dbraw/zinc/39/39/06/1083393906.db2.gz PJQSHQATEBHWSW-NVXWUHKLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001276602547 1083509529 /nfs/dbraw/zinc/50/95/29/1083509529.db2.gz AKFQKQRJGZNLFD-QZTJIDSGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001276718406 1083568257 /nfs/dbraw/zinc/56/82/57/1083568257.db2.gz SVOJETDKBUTTCN-XLAORIBOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCCC[NH+]1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276885329 1083663940 /nfs/dbraw/zinc/66/39/40/1083663940.db2.gz HUODSPDBTLBMFK-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001277647596 1084075714 /nfs/dbraw/zinc/07/57/14/1084075714.db2.gz TZBYAKISAUVVSG-BBWFWOEESA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001491173808 1084129316 /nfs/dbraw/zinc/12/93/16/1084129316.db2.gz UJMZHRUHNVDCPP-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491284284 1084208375 /nfs/dbraw/zinc/20/83/75/1084208375.db2.gz RPDUUUDTNQPKIX-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001491296697 1084217452 /nfs/dbraw/zinc/21/74/52/1084217452.db2.gz OOGQGMHTYUWCHR-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259906 1084364372 /nfs/dbraw/zinc/36/43/72/1084364372.db2.gz DLDAZCVHTZQLPE-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235340326 1084398693 /nfs/dbraw/zinc/39/86/93/1084398693.db2.gz ZKMVBFSBRXERRW-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272871053 1084399086 /nfs/dbraw/zinc/39/90/86/1084399086.db2.gz VGVAJMARAFXPMG-GOSISDBHSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CN1CCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272887712 1084425862 /nfs/dbraw/zinc/42/58/62/1084425862.db2.gz IWBZFCNZNCOVOH-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP N#CCCCC[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001277951334 1084456539 /nfs/dbraw/zinc/45/65/39/1084456539.db2.gz IXGDAPSQWBTADR-HDICACEKSA-N 2 0 315.465 2.221 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078695091 1084828133 /nfs/dbraw/zinc/82/81/33/1084828133.db2.gz HOMGEQPSBUDPSY-HZPDHXFCSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485930186 1085002684 /nfs/dbraw/zinc/00/26/84/1085002684.db2.gz NLLUYOJTGSQLEN-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001486415985 1085302695 /nfs/dbraw/zinc/30/26/95/1085302695.db2.gz HMOKMYVXRXOIKY-SJORKVTESA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961284582 1085670568 /nfs/dbraw/zinc/67/05/68/1085670568.db2.gz NRDCHBITVPLXES-MSOLQXFVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000961559342 1085787422 /nfs/dbraw/zinc/78/74/22/1085787422.db2.gz OXIWSSBVKWRFID-WNRNVDISSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCCN(C)C1 ZINC001273143218 1086664895 /nfs/dbraw/zinc/66/48/95/1086664895.db2.gz DEJXMMURIBEQHY-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740950 1088362674 /nfs/dbraw/zinc/36/26/74/1088362674.db2.gz GAZHDYXGHZZNDV-FVQHAEBGSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562195 1088424556 /nfs/dbraw/zinc/42/45/56/1088424556.db2.gz BGLXSKGTJCUOHM-ZSGPHXLJSA-N 2 0 324.428 2.349 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080191885 1088670277 /nfs/dbraw/zinc/67/02/77/1088670277.db2.gz AEDKHTKTVSPJNC-KBAYOESNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754169 1089170385 /nfs/dbraw/zinc/17/03/85/1089170385.db2.gz BVAIWOZTIXDNPH-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962346 1090547158 /nfs/dbraw/zinc/54/71/58/1090547158.db2.gz IDQBYVBWVQIBCQ-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085025290 1090599424 /nfs/dbraw/zinc/59/94/24/1090599424.db2.gz OYXQSGGZOLDTRQ-IXDOHACOSA-N 2 0 307.482 2.072 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085075319 1090630308 /nfs/dbraw/zinc/63/03/08/1090630308.db2.gz ZXZGVNSHVJAYIQ-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001275150797 1091585880 /nfs/dbraw/zinc/58/58/80/1091585880.db2.gz NTLNZALYEIBQIA-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001275183236 1091604847 /nfs/dbraw/zinc/60/48/47/1091604847.db2.gz DIPCVWYHNYUCPM-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275599709 1091901510 /nfs/dbraw/zinc/90/15/10/1091901510.db2.gz JUDMYFGESWFKAX-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001489035012 1092893522 /nfs/dbraw/zinc/89/35/22/1092893522.db2.gz FNHMOKUHZMCQAD-WCXIOVBPSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001490207984 1093225631 /nfs/dbraw/zinc/22/56/31/1093225631.db2.gz OZQXWLRBMHJAFY-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001490362272 1093355520 /nfs/dbraw/zinc/35/55/20/1093355520.db2.gz SYYWRRKVCJEGPP-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001490618195 1093448596 /nfs/dbraw/zinc/44/85/96/1093448596.db2.gz FLQDNDYFOYETID-SFHVURJKSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CC[NH2+]CCN(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236480249 1138367100 /nfs/dbraw/zinc/36/71/00/1138367100.db2.gz AVKQRKFDFCDGAG-UHFFFAOYSA-N 2 0 305.441 2.464 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001318916552 1140465893 /nfs/dbraw/zinc/46/58/93/1140465893.db2.gz BJXKHMASBWOPFH-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001319378885 1140559468 /nfs/dbraw/zinc/55/94/68/1140559468.db2.gz IHYHODDIXCYPGT-IRXDYDNUSA-N 2 0 317.477 2.045 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2F)C2CC[NH2+]CC2)CCN1 ZINC001246402405 1140894255 /nfs/dbraw/zinc/89/42/55/1140894255.db2.gz YDVYSEJEJMWQOQ-VKJFTORMSA-N 2 0 316.424 2.100 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH2+][C@H](c2cccc(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246403657 1140894893 /nfs/dbraw/zinc/89/48/93/1140894893.db2.gz HXBBUIHNLHLEIQ-SQNIBIBYSA-N 2 0 316.424 2.100 20 30 DEEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246730689 1141046247 /nfs/dbraw/zinc/04/62/47/1141046247.db2.gz AEHLSSKYPSUMFG-SOLBZPMBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858128 1141893625 /nfs/dbraw/zinc/89/36/25/1141893625.db2.gz ANESEHDJCVCSLH-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858123 1141893911 /nfs/dbraw/zinc/89/39/11/1141893911.db2.gz ANESEHDJCVCSLH-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001278656629 1142665656 /nfs/dbraw/zinc/66/56/56/1142665656.db2.gz NTBOQMRRKWZGCF-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCOC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001252470205 1142722434 /nfs/dbraw/zinc/72/24/34/1142722434.db2.gz IWOKXSPABFIJPR-OALUTQOASA-N 2 0 318.461 2.004 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001252499160 1142736528 /nfs/dbraw/zinc/73/65/28/1142736528.db2.gz WXOSXYBOJHPBTO-BHIYHBOVSA-N 2 0 318.461 2.050 20 30 DEEDRP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001253202879 1142853424 /nfs/dbraw/zinc/85/34/24/1142853424.db2.gz AVBBUQRKEALCER-ZDUSSCGKSA-N 2 0 317.355 2.113 20 30 DEEDRP CC(C)(S)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051716 1143032631 /nfs/dbraw/zinc/03/26/31/1143032631.db2.gz WYLQYEZFZMXKAJ-UHFFFAOYSA-N 2 0 308.491 2.312 20 30 DEEDRP N#C[C@@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001254664781 1143306921 /nfs/dbraw/zinc/30/69/21/1143306921.db2.gz XJGXNWFZWOYGCQ-HZPDHXFCSA-N 2 0 313.449 2.029 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC001341664715 1143656464 /nfs/dbraw/zinc/65/64/64/1143656464.db2.gz DMCPEWOWMCFTSR-HZPDHXFCSA-N 2 0 321.852 2.497 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001341716559 1143679029 /nfs/dbraw/zinc/67/90/29/1143679029.db2.gz HXSKQSXGVZABJC-ROUUACIJSA-N 2 0 315.461 2.403 20 30 DEEDRP C=CCOCc1nn([C@@H](C)CC[NH+](CC)CC)c2c1C[NH2+]C2 ZINC001255959696 1143817028 /nfs/dbraw/zinc/81/70/28/1143817028.db2.gz OGJNOSIEODVIOF-AWEZNQCLSA-N 2 0 306.454 2.482 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001278929864 1143842977 /nfs/dbraw/zinc/84/29/77/1143842977.db2.gz NGMYFUANXVNIEF-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256624144 1143858050 /nfs/dbraw/zinc/85/80/50/1143858050.db2.gz RIZUTIXSEIFYGO-SJPCQFCGSA-N 2 0 317.477 2.255 20 30 DEEDRP C#CC[NH+]1CCC(OC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001263621253 1144383917 /nfs/dbraw/zinc/38/39/17/1144383917.db2.gz VWOCBYDYSJOHPM-UHFFFAOYSA-N 2 0 300.402 2.003 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001263997740 1144439665 /nfs/dbraw/zinc/43/96/65/1144439665.db2.gz CJIOFCBZDNAQLR-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001264196791 1144506009 /nfs/dbraw/zinc/50/60/09/1144506009.db2.gz LBLHMRGJMGKLEW-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001264549921 1144563483 /nfs/dbraw/zinc/56/34/83/1144563483.db2.gz WJZFXSVNIYCDIH-IXDOHACOSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001265217519 1144669471 /nfs/dbraw/zinc/66/94/71/1144669471.db2.gz XUOMHIWIWDUHND-HZPDHXFCSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001265235791 1144673984 /nfs/dbraw/zinc/67/39/84/1144673984.db2.gz WDQQXTQQIWKBAW-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265234918 1144674294 /nfs/dbraw/zinc/67/42/94/1144674294.db2.gz DWBRLLALOVCRSH-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001265334202 1144695102 /nfs/dbraw/zinc/69/51/02/1144695102.db2.gz MEOGPONPRAASMZ-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265339132 1144696248 /nfs/dbraw/zinc/69/62/48/1144696248.db2.gz XYKHRNFXIRYDTL-SJLPKXTDSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001265358285 1144698143 /nfs/dbraw/zinc/69/81/43/1144698143.db2.gz GNBNVYDQQHJUSX-CQSZACIVSA-N 2 0 307.463 2.094 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265395261 1144701879 /nfs/dbraw/zinc/70/18/79/1144701879.db2.gz SBMKZPLIYRMWFK-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001265508698 1144708262 /nfs/dbraw/zinc/70/82/62/1144708262.db2.gz JSBUINRHZBWGGV-QAQDUYKDSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001265708367 1144732837 /nfs/dbraw/zinc/73/28/37/1144732837.db2.gz NCDGPWQQPZDKRJ-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265982597 1144776427 /nfs/dbraw/zinc/77/64/27/1144776427.db2.gz IAHXRMHAILNFNI-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266062724 1144801660 /nfs/dbraw/zinc/80/16/60/1144801660.db2.gz CBMNVPFEJPUGBH-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266072538 1144802741 /nfs/dbraw/zinc/80/27/41/1144802741.db2.gz WUAFHIVPQLMEPT-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316599436 1144829039 /nfs/dbraw/zinc/82/90/39/1144829039.db2.gz CQSIRVNRCYDPFF-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001281684657 1144907865 /nfs/dbraw/zinc/90/78/65/1144907865.db2.gz VDELDPLJAUJMPC-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001283509583 1145486422 /nfs/dbraw/zinc/48/64/22/1145486422.db2.gz VLSICXISMROCHO-INMHGKMJSA-N 2 0 316.449 2.306 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001284058067 1145778676 /nfs/dbraw/zinc/77/86/76/1145778676.db2.gz PDJQKCGFMZIZMA-JFIYKMOQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]21 ZINC001284095750 1145796906 /nfs/dbraw/zinc/79/69/06/1145796906.db2.gz JGJOKPMHQZNKIP-DJIMGWMZSA-N 2 0 316.449 2.135 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001492176951 1147118048 /nfs/dbraw/zinc/11/80/48/1147118048.db2.gz BHCGSVSAHXZEDJ-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741974 1147551868 /nfs/dbraw/zinc/55/18/68/1147551868.db2.gz CVEXVDSFLFQBFH-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001316812478 1147583223 /nfs/dbraw/zinc/58/32/23/1147583223.db2.gz WVRGRFPFWBGEBC-IRXDYDNUSA-N 2 0 321.509 2.203 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317045803 1147652778 /nfs/dbraw/zinc/65/27/78/1147652778.db2.gz WXLLVHRKNKTUOD-IRXDYDNUSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317139871 1147665630 /nfs/dbraw/zinc/66/56/30/1147665630.db2.gz LQPKWOVYJDZOSW-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317153684 1147667354 /nfs/dbraw/zinc/66/73/54/1147667354.db2.gz WWZJORJMHDQASO-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317173666 1147670937 /nfs/dbraw/zinc/67/09/37/1147670937.db2.gz PWGNMICSBSGMJY-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001367390042 1147687812 /nfs/dbraw/zinc/68/78/12/1147687812.db2.gz YSWFILVNUQJGLV-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317359758 1147695808 /nfs/dbraw/zinc/69/58/08/1147695808.db2.gz OVVWWUFUSHHFER-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317376515 1147699047 /nfs/dbraw/zinc/69/90/47/1147699047.db2.gz PQFGQMGEKQDLBH-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317502940 1147716573 /nfs/dbraw/zinc/71/65/73/1147716573.db2.gz VJXHBAIVCLRUFD-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317852828 1147757933 /nfs/dbraw/zinc/75/79/33/1147757933.db2.gz INRAPQLFXRALPG-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001317869869 1147759171 /nfs/dbraw/zinc/75/91/71/1147759171.db2.gz ZKHCYQUIRGHKIS-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318292419 1147808125 /nfs/dbraw/zinc/80/81/25/1147808125.db2.gz LIHFKXSLCSAMLQ-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001324656254 1147826595 /nfs/dbraw/zinc/82/65/95/1147826595.db2.gz LXOIQEDGAJYOKJ-RDJZCZTQSA-N 2 0 304.438 2.381 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001324681861 1147830771 /nfs/dbraw/zinc/83/07/71/1147830771.db2.gz XHQVMABHAXAWAK-GOSISDBHSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001325945285 1148023043 /nfs/dbraw/zinc/02/30/43/1148023043.db2.gz AQGANXACDGIDKI-XMTFNYHQSA-N 2 0 319.493 2.358 20 30 DEEDRP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001326469834 1148108768 /nfs/dbraw/zinc/10/87/68/1148108768.db2.gz VZMZOJSSZZGDHN-MAUKXSAKSA-N 2 0 315.461 2.317 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181492147 199306121 /nfs/dbraw/zinc/30/61/21/199306121.db2.gz XPZSBDWQMVMTAU-INIZCTEOSA-N 2 0 300.450 2.236 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000417057732 540164855 /nfs/dbraw/zinc/16/48/55/540164855.db2.gz CRUJRDFOQBPFGR-GVDBMIGSSA-N 2 0 322.497 2.254 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000581240157 357153962 /nfs/dbraw/zinc/15/39/62/357153962.db2.gz ZWHOMICXNUQFGM-UHFFFAOYSA-N 2 0 314.433 2.452 20 30 DEEDRP C=CCC1(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCC1 ZINC000581929409 357269124 /nfs/dbraw/zinc/26/91/24/357269124.db2.gz SMXAHPVBSDDJSZ-UHFFFAOYSA-N 2 0 324.513 2.258 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000593323974 358054397 /nfs/dbraw/zinc/05/43/97/358054397.db2.gz UYYVNCNREGNJNU-YOFSQIOKSA-N 2 0 324.472 2.395 20 30 DEEDRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(C#N)c1 ZINC000602564108 360434186 /nfs/dbraw/zinc/43/41/86/360434186.db2.gz DRSBLGLZTFNPCO-CQSZACIVSA-N 2 0 301.434 2.444 20 30 DEEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C#N)c1 ZINC000538397939 285033877 /nfs/dbraw/zinc/03/38/77/285033877.db2.gz GGAFISHNPNTZGG-INIZCTEOSA-N 2 0 300.450 2.236 20 30 DEEDRP CN(c1cccc(F)c1C#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372605876 133360703 /nfs/dbraw/zinc/36/07/03/133360703.db2.gz LHNKUCHXHZRSEP-OAHLLOKOSA-N 2 0 316.424 2.302 20 30 DEEDRP C=CCNC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154729922 402227940 /nfs/dbraw/zinc/22/79/40/402227940.db2.gz AEQWTNWAKLQNCV-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP Cn1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000190785508 402622454 /nfs/dbraw/zinc/62/24/54/402622454.db2.gz BVOCZTJPQYJIPL-UHFFFAOYSA-N 2 0 312.417 2.127 20 30 DEEDRP Cn1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1C#N ZINC000191075151 402640153 /nfs/dbraw/zinc/64/01/53/402640153.db2.gz CZJZZTHUKANKIW-UHFFFAOYSA-N 2 0 300.381 2.387 20 30 DEEDRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000332030866 403466147 /nfs/dbraw/zinc/46/61/47/403466147.db2.gz SRGABNGWZNVJCX-QGZVFWFLSA-N 2 0 314.433 2.303 20 30 DEEDRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000332348539 403557515 /nfs/dbraw/zinc/55/75/15/403557515.db2.gz ALRPQALHRJNFEZ-RTBURBONSA-N 2 0 313.445 2.334 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000295090399 403757180 /nfs/dbraw/zinc/75/71/80/403757180.db2.gz UVULZCKJHIVWNU-QGZVFWFLSA-N 2 0 317.477 2.233 20 30 DEEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000343941396 403801816 /nfs/dbraw/zinc/80/18/16/403801816.db2.gz SYEXRQCNRHSVFI-HOCLYGCPSA-N 2 0 302.422 2.194 20 30 DEEDRP C=CCOc1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289393964 403942258 /nfs/dbraw/zinc/94/22/58/403942258.db2.gz FMFMWQAJPSJDKQ-UHFFFAOYSA-N 2 0 317.477 2.321 20 30 DEEDRP C[C@H](NC(=O)CCc1ncc[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000329283945 404289123 /nfs/dbraw/zinc/28/91/23/404289123.db2.gz NRZCGQRAMCFUKX-AWEZNQCLSA-N 2 0 320.437 2.332 20 30 DEEDRP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000329529770 404366835 /nfs/dbraw/zinc/36/68/35/404366835.db2.gz VHXUSEOUGPGSMI-CYBMUJFWSA-N 2 0 322.497 2.450 20 30 DEEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000345192273 404604270 /nfs/dbraw/zinc/60/42/70/404604270.db2.gz UUSGVCICHCUDEZ-UHFFFAOYSA-N 2 0 322.497 2.096 20 30 DEEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414791820 404736934 /nfs/dbraw/zinc/73/69/34/404736934.db2.gz RGOXEXGGDJDWHA-QGZVFWFLSA-N 2 0 316.445 2.439 20 30 DEEDRP C=CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414796930 404737568 /nfs/dbraw/zinc/73/75/68/404737568.db2.gz YDCJEPUHTFUOPJ-QGZVFWFLSA-N 2 0 316.445 2.439 20 30 DEEDRP C[C@H](CCNC(=O)[C@H]([NH3+])CCCC#N)[N@H+](C)Cc1ccccc1 ZINC000424155985 405025458 /nfs/dbraw/zinc/02/54/58/405025458.db2.gz OMLRALODKHCEAC-NVXWUHKLSA-N 2 0 316.449 2.034 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C(C)C ZINC000426417745 405358914 /nfs/dbraw/zinc/35/89/14/405358914.db2.gz CCCJILJLKIALAG-ROUUACIJSA-N 2 0 319.493 2.428 20 30 DEEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423156308 405706363 /nfs/dbraw/zinc/70/63/63/405706363.db2.gz RZQIPECNKIBPRZ-CVYDXHPNSA-N 2 0 300.402 2.175 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423386635 405784515 /nfs/dbraw/zinc/78/45/15/405784515.db2.gz MDEHFBHGJKIMBS-MJGOQNOKSA-N 2 0 312.461 2.382 20 30 DEEDRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423461903 405813500 /nfs/dbraw/zinc/81/35/00/405813500.db2.gz TXMNQMZRHFUJGM-HNNXBMFYSA-N 2 0 300.450 2.240 20 30 DEEDRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000561482073 405932352 /nfs/dbraw/zinc/93/23/52/405932352.db2.gz PDKKVYUEVROYCC-QRQLOZEOSA-N 2 0 312.461 2.257 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000134120424 196363081 /nfs/dbraw/zinc/36/30/81/196363081.db2.gz VBFRAOQRJQXBCE-UHFFFAOYSA-N 2 0 305.447 2.164 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCC(C)CC2)N1 ZINC000262669703 225280952 /nfs/dbraw/zinc/28/09/52/225280952.db2.gz QKRKQXROUGMUOC-OAHLLOKOSA-N 2 0 300.450 2.356 20 30 DEEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661117515 425327025 /nfs/dbraw/zinc/32/70/25/425327025.db2.gz REUQHRYCHAHKTG-MAUKXSAKSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000661119996 425328782 /nfs/dbraw/zinc/32/87/82/425328782.db2.gz YMUQGNOJDDQMSJ-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661379145 425394906 /nfs/dbraw/zinc/39/49/06/425394906.db2.gz USNBBHSSGYBYTE-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[C@]1(C(=O)NCCCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662730038 425724303 /nfs/dbraw/zinc/72/43/03/425724303.db2.gz ZEMVQBUBFMIYPC-GOSISDBHSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662739188 425726812 /nfs/dbraw/zinc/72/68/12/425726812.db2.gz DECNKCPQGRJJDC-FUHWJXTLSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)C(C)C ZINC000417072275 277851181 /nfs/dbraw/zinc/85/11/81/277851181.db2.gz XEDYXCFWSJMDJG-GVDBMIGSSA-N 2 0 322.497 2.077 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001479991240 1151274853 /nfs/dbraw/zinc/27/48/53/1151274853.db2.gz CYSBZMXFHHZUMZ-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC001357327550 1152288899 /nfs/dbraw/zinc/28/88/99/1152288899.db2.gz XHSRRRAXIRDDMZ-JKSUJKDBSA-N 2 0 307.413 2.228 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001378444494 1152331410 /nfs/dbraw/zinc/33/14/10/1152331410.db2.gz NADRFJMXKVTGLE-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001329862280 1149004776 /nfs/dbraw/zinc/00/47/76/1149004776.db2.gz ZIZPEPDDGZQGPD-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001330073460 1149044944 /nfs/dbraw/zinc/04/49/44/1149044944.db2.gz CVKQEUIVUGVFSM-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330243203 1149077296 /nfs/dbraw/zinc/07/72/96/1149077296.db2.gz FSXDKNGYKRCWIK-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437383297 1179774649 /nfs/dbraw/zinc/77/46/49/1179774649.db2.gz YHKXTNXSEVXZKT-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000320580321 534297419 /nfs/dbraw/zinc/29/74/19/534297419.db2.gz VGPCSKARMQKLMJ-CQSZACIVSA-N 2 0 314.433 2.159 20 30 DEEDRP N#C[C@H]1CC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442632722 534755640 /nfs/dbraw/zinc/75/56/40/534755640.db2.gz AGSULYLIUTZGKL-RBUKOAKNSA-N 2 0 312.461 2.086 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001327491525 1148567816 /nfs/dbraw/zinc/56/78/16/1148567816.db2.gz DCPWALZYGJCOPN-UHFFFAOYSA-N 2 0 304.438 2.198 20 30 DEEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccon1 ZINC000261795151 526349069 /nfs/dbraw/zinc/34/90/69/526349069.db2.gz QWEZRAZGWFXGTM-CQSZACIVSA-N 2 0 321.469 2.192 20 30 DEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N(C)C[C@H]1CCOC1 ZINC000261640066 526350857 /nfs/dbraw/zinc/35/08/57/526350857.db2.gz KSJGRAJNDXDAKU-MRXNPFEDSA-N 2 0 324.513 2.185 20 30 DEEDRP C[NH+]=C(NCc1sccc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261996002 526393768 /nfs/dbraw/zinc/39/37/68/526393768.db2.gz SLAHEKBOPRNRLR-ZIAGYGMSSA-N 2 0 308.495 2.450 20 30 DEEDRP C=CCC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423400168 527448260 /nfs/dbraw/zinc/44/82/60/527448260.db2.gz WSWWPEWQVQQZAC-ZIAGYGMSSA-N 2 0 305.388 2.157 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264063452 527722032 /nfs/dbraw/zinc/72/20/32/527722032.db2.gz DHMSCEIJQSKXBO-UHFFFAOYSA-N 2 0 306.454 2.077 20 30 DEEDRP CCCNC(=[NH2+])NCc1ccccc1OCC[NH+](CC)CC ZINC000264110448 528161782 /nfs/dbraw/zinc/16/17/82/528161782.db2.gz QPZSMJVZYHHCKL-UHFFFAOYSA-N 2 0 306.454 2.222 20 30 DEEDRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424058606 528242984 /nfs/dbraw/zinc/24/29/84/528242984.db2.gz LREXOQJHIRMVPY-SJORKVTESA-N 2 0 316.449 2.207 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCS[C@H](CC)C1 ZINC000262050321 528809889 /nfs/dbraw/zinc/80/98/89/528809889.db2.gz ZOVJUMSBXFZSMR-GOEBONIOSA-N 2 0 324.538 2.264 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCCCC2)O1 ZINC000262357569 529072999 /nfs/dbraw/zinc/07/29/99/529072999.db2.gz JPIINMWTCYUMGQ-HZPDHXFCSA-N 2 0 322.497 2.257 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000267475284 529073310 /nfs/dbraw/zinc/07/33/10/529073310.db2.gz ZECDRWOPJDLHPS-BRWVUGGUSA-N 2 0 300.450 2.006 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000264095021 529176282 /nfs/dbraw/zinc/17/62/82/529176282.db2.gz LVEQVJUXOFPKRH-GASCZTMLSA-N 2 0 318.465 2.475 20 30 DEEDRP 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 1149184360 /nfs/dbraw/zinc/18/43/60/1149184360.db2.gz ULLATGMEGBPQEZ-HDICACEKSA-N 2 0 307.482 2.073 20 30 DEEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001355067119 1151977814 /nfs/dbraw/zinc/97/78/14/1151977814.db2.gz QJYHJIGNSRANSG-NVXWUHKLSA-N 2 0 320.481 2.026 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969769506 622913992 /nfs/dbraw/zinc/91/39/92/622913992.db2.gz PDXWAJWMSRJOKB-LBPRGKRZSA-N 2 0 307.463 2.046 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970052327 623080500 /nfs/dbraw/zinc/08/05/00/623080500.db2.gz WPHTXFPCWVLCTH-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000892851153 625663907 /nfs/dbraw/zinc/66/39/07/625663907.db2.gz DGEXIMMFCOVFTA-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739094 624022232 /nfs/dbraw/zinc/02/22/32/624022232.db2.gz GKNQYXFVLAJKDJ-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027693686 634448168 /nfs/dbraw/zinc/44/81/68/634448168.db2.gz GKEUVCPEZVKOBZ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448096 625772142 /nfs/dbraw/zinc/77/21/42/625772142.db2.gz BYGBFUGAEJKAEG-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999289315 634550760 /nfs/dbraw/zinc/55/07/60/634550760.db2.gz FKRIOMXGSJRCSS-KLAILNCOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999574266 634634570 /nfs/dbraw/zinc/63/45/70/634634570.db2.gz MRXSLIWGUMFJEI-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1(C)C ZINC000996103992 633185573 /nfs/dbraw/zinc/18/55/73/633185573.db2.gz ZFTAXDDYCCSBCB-IRXDYDNUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677500 633229298 /nfs/dbraw/zinc/22/92/98/633229298.db2.gz DXJQONYGXDYMDY-SJORKVTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974900162 633358508 /nfs/dbraw/zinc/35/85/08/633358508.db2.gz NREMNZKZHYAKFN-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966755 633379699 /nfs/dbraw/zinc/37/96/99/633379699.db2.gz CQMXTZZMAGYTKB-HRCADAONSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975115891 633426167 /nfs/dbraw/zinc/42/61/67/633426167.db2.gz ZTIHJQNPGPAIEW-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050468 633497363 /nfs/dbraw/zinc/49/73/63/633497363.db2.gz LPSBVNFLRRAQAH-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000997165523 633662242 /nfs/dbraw/zinc/66/22/42/633662242.db2.gz BSRJJRXZGMUBAL-LJQANCHMSA-N 2 0 315.461 2.230 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2cccc3nccn32)CC1 ZINC000997218364 633678864 /nfs/dbraw/zinc/67/88/64/633678864.db2.gz ALSIJQZDDGCSKP-OAHLLOKOSA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997420374 633760494 /nfs/dbraw/zinc/76/04/94/633760494.db2.gz HYLGEGWOAKWMNU-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214367 633880550 /nfs/dbraw/zinc/88/05/50/633880550.db2.gz CPFGLKBJILWCGD-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997613759 633900665 /nfs/dbraw/zinc/90/06/65/633900665.db2.gz MQDVKBLJFXHZKJ-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997614017 633901012 /nfs/dbraw/zinc/90/10/12/633901012.db2.gz OHIPRHBISOGUIX-WMZOPIPTSA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998098963 634140079 /nfs/dbraw/zinc/14/00/79/634140079.db2.gz RHPCJSXBFNWHEP-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998102320 634142117 /nfs/dbraw/zinc/14/21/17/634142117.db2.gz LYXBMSVXZYGLRK-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027602063 634255653 /nfs/dbraw/zinc/25/56/53/634255653.db2.gz KQGKXKMRRMCICJ-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027877712 634846344 /nfs/dbraw/zinc/84/63/44/634846344.db2.gz ABTFLZQJRKIDRI-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980186463 634884255 /nfs/dbraw/zinc/88/42/55/634884255.db2.gz DGWRRGQPQIVYEG-KSZLIROESA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000374650 635163002 /nfs/dbraw/zinc/16/30/02/635163002.db2.gz WEKWFGJAIYVKNE-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000981122907 635324314 /nfs/dbraw/zinc/32/43/14/635324314.db2.gz OTJWWARBHJMLBU-GJZGRUSLSA-N 2 0 319.474 2.074 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001006546 635377397 /nfs/dbraw/zinc/37/73/97/635377397.db2.gz IKCSUGBDUQBKRJ-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001000992529 635383577 /nfs/dbraw/zinc/38/35/77/635383577.db2.gz MIBCOTDTOULDRB-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000981461108 635491086 /nfs/dbraw/zinc/49/10/86/635491086.db2.gz ANKGAAZFRBDHML-LSDHHAIUSA-N 2 0 316.449 2.354 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(C)C)C2)CC1 ZINC000981540557 635522908 /nfs/dbraw/zinc/52/29/08/635522908.db2.gz DTZCLGUSKUAGKD-ROUUACIJSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000981801049 635655961 /nfs/dbraw/zinc/65/59/61/635655961.db2.gz NWWXHLVYIKBHJZ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000981806924 635664192 /nfs/dbraw/zinc/66/41/92/635664192.db2.gz QAYODCGRDINQHI-UHFFFAOYSA-N 2 0 316.449 2.233 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982152028 635891030 /nfs/dbraw/zinc/89/10/30/635891030.db2.gz PZOTVUGZFZOTIR-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982160755 635893537 /nfs/dbraw/zinc/89/35/37/635893537.db2.gz CZGYWINTUFPUSO-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537247 636328853 /nfs/dbraw/zinc/32/88/53/636328853.db2.gz KOXMBPNIQGPCOC-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004476673 636465255 /nfs/dbraw/zinc/46/52/55/636465255.db2.gz ZBXCDCQDDIDOOQ-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946620959 636472079 /nfs/dbraw/zinc/47/20/79/636472079.db2.gz DDGVVWCMUHPKPP-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779931 636647484 /nfs/dbraw/zinc/64/74/84/636647484.db2.gz VTRXSRVXCRGIMM-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001005390838 636730370 /nfs/dbraw/zinc/73/03/70/636730370.db2.gz MQCOKXBRKIETFZ-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP Cc1cc(C#N)cc(C)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000894460512 637053119 /nfs/dbraw/zinc/05/31/19/637053119.db2.gz YSZKHEOQPVVWJT-UHFFFAOYSA-N 2 0 302.466 2.100 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000985465833 639446801 /nfs/dbraw/zinc/44/68/01/639446801.db2.gz YHPWTGFFKGFZRI-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000987592113 640230857 /nfs/dbraw/zinc/23/08/57/640230857.db2.gz YKITTWQKOPBZPE-ZBFHGGJFSA-N 2 0 319.449 2.500 20 30 DEEDRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902745850 643130094 /nfs/dbraw/zinc/13/00/94/643130094.db2.gz XJLCBINTFVZXHN-MRXNPFEDSA-N 2 0 315.465 2.022 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992149866 646874850 /nfs/dbraw/zinc/87/48/50/646874850.db2.gz OEIDLEFWLWIASP-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992403099 646971581 /nfs/dbraw/zinc/97/15/81/646971581.db2.gz ADUAJUNDZBXECL-SOLBZPMBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000913648153 646985964 /nfs/dbraw/zinc/98/59/64/646985964.db2.gz SZCHOPVFSXUXHV-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@@H]21 ZINC000992668838 647182404 /nfs/dbraw/zinc/18/24/04/647182404.db2.gz PNPFQYIHVBRWJM-OWCLPIDISA-N 2 0 316.449 2.135 20 30 DEEDRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000818989591 647558663 /nfs/dbraw/zinc/55/86/63/647558663.db2.gz AARXRQNVSCCQCK-SFHVURJKSA-N 2 0 301.434 2.303 20 30 DEEDRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819184570 647602889 /nfs/dbraw/zinc/60/28/89/647602889.db2.gz FEHHFRINISWHKT-VMWRSERWSA-N 2 0 301.434 2.302 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993528253 647690228 /nfs/dbraw/zinc/69/02/28/647690228.db2.gz KBKBXNMBSCBZGS-CRAIPNDOSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761265 647741047 /nfs/dbraw/zinc/74/10/47/647741047.db2.gz OKTJQIIVPFIQTM-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805986 647746859 /nfs/dbraw/zinc/74/68/59/647746859.db2.gz NXQMILFXXUDXDL-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000939505416 648670547 /nfs/dbraw/zinc/67/05/47/648670547.db2.gz FGMSCJZKJXKPKG-YJBOKZPZSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940738039 648935810 /nfs/dbraw/zinc/93/58/10/648935810.db2.gz VFTCBVLAHYKXER-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940801151 648944774 /nfs/dbraw/zinc/94/47/74/648944774.db2.gz ODZPSTYMPVJXGJ-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941237021 649027873 /nfs/dbraw/zinc/02/78/73/649027873.db2.gz GBWLYYFXANOLRD-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCCC)CC1 ZINC000948448952 649229241 /nfs/dbraw/zinc/22/92/41/649229241.db2.gz LZAIBARNKBCJQS-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575173 649650436 /nfs/dbraw/zinc/65/04/36/649650436.db2.gz QTELGCVOYWXCBD-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575170 649650554 /nfs/dbraw/zinc/65/05/54/649650554.db2.gz QTELGCVOYWXCBD-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])NCC2CCC2)cc1 ZINC000104193795 684059027 /nfs/dbraw/zinc/05/90/27/684059027.db2.gz AUUAVEXNYJGKTL-UHFFFAOYSA-N 2 0 318.465 2.222 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148522 693863017 /nfs/dbraw/zinc/86/30/17/693863017.db2.gz PDTRJKYTAOWKLH-HKUYNNGSSA-N 2 0 321.509 2.463 20 30 DEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000865600109 687272975 /nfs/dbraw/zinc/27/29/75/687272975.db2.gz DKOBFJVQUXVKSY-OAHLLOKOSA-N 2 0 300.450 2.446 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016752925 687696144 /nfs/dbraw/zinc/69/61/44/687696144.db2.gz BTRFUKSAWSELBT-SJORKVTESA-N 2 0 317.477 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860957 687720393 /nfs/dbraw/zinc/72/03/93/687720393.db2.gz LHKDQHMREYLXFX-DLBZAZTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862122 687720495 /nfs/dbraw/zinc/72/04/95/687720495.db2.gz RUKXVHQORSYBJZ-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016907648 687731569 /nfs/dbraw/zinc/73/15/69/687731569.db2.gz SZGUJOJDBMPVHS-QGZVFWFLSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001019076214 688281061 /nfs/dbraw/zinc/28/10/61/688281061.db2.gz QVWZGBYJQSEEQL-GJZGRUSLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918366 689020477 /nfs/dbraw/zinc/02/04/77/689020477.db2.gz IJLGAHWPEDHIGU-KRWDZBQOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043141 689048495 /nfs/dbraw/zinc/04/84/95/689048495.db2.gz VWTMJTXTFHOVRD-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001032493340 689166548 /nfs/dbraw/zinc/16/65/48/689166548.db2.gz QRVAUOYZSLVMCH-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033077998 689378733 /nfs/dbraw/zinc/37/87/33/689378733.db2.gz VDWHDGNRNFXDNM-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145577 689403962 /nfs/dbraw/zinc/40/39/62/689403962.db2.gz IGFHBOBGHLOKIE-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684940 689583612 /nfs/dbraw/zinc/58/36/12/689583612.db2.gz JHSYKDRFHFTJPA-QGZVFWFLSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877595 689647788 /nfs/dbraw/zinc/64/77/88/689647788.db2.gz KJALIUFFIVVGDG-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238933 689777131 /nfs/dbraw/zinc/77/71/31/689777131.db2.gz OYCSMMFXJOQQBN-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034240959 689777850 /nfs/dbraw/zinc/77/78/50/689777850.db2.gz VHEULQUQZWAHCO-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034240953 689778119 /nfs/dbraw/zinc/77/81/19/689778119.db2.gz VHEULQUQZWAHCO-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001034511889 689880824 /nfs/dbraw/zinc/88/08/24/689880824.db2.gz SDKYCUVJOGPHRK-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709384 689911402 /nfs/dbraw/zinc/91/14/02/689911402.db2.gz QIZAQZVKAACQHG-HZPDHXFCSA-N 2 0 321.852 2.410 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000876717500 689913715 /nfs/dbraw/zinc/91/37/15/689913715.db2.gz GPIIUOQZYAQHGT-ZIAGYGMSSA-N 2 0 303.878 2.329 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000876725808 689916816 /nfs/dbraw/zinc/91/68/16/689916816.db2.gz XXGOSJXVBXROOE-TZMCWYRMSA-N 2 0 301.862 2.085 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001034698538 689928802 /nfs/dbraw/zinc/92/88/02/689928802.db2.gz OCLGINLRGZYGMJ-BRWVUGGUSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000876763170 689929127 /nfs/dbraw/zinc/92/91/27/689929127.db2.gz IOMISWWRTXLYKX-HIFRSBDPSA-N 2 0 309.841 2.093 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876875740 689960837 /nfs/dbraw/zinc/96/08/37/689960837.db2.gz YYHWHJIBADKTSB-CVEARBPZSA-N 2 0 321.852 2.189 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035733306 690163448 /nfs/dbraw/zinc/16/34/48/690163448.db2.gz YIMMNYNFQXTPLO-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035772669 690172627 /nfs/dbraw/zinc/17/26/27/690172627.db2.gz IHZWQEYEGFBLMQ-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035837519 690189280 /nfs/dbraw/zinc/18/92/80/690189280.db2.gz XQDMDGPECSOKGX-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001036269191 690306377 /nfs/dbraw/zinc/30/63/77/690306377.db2.gz ZUIQWFSMMRSPEK-YJBOKZPZSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755302 690460004 /nfs/dbraw/zinc/46/00/04/690460004.db2.gz UEJPCLLRLOGEIJ-YJBOKZPZSA-N 2 0 324.428 2.365 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810151 690481222 /nfs/dbraw/zinc/48/12/22/690481222.db2.gz WPVTVSPMVBWZNO-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596458 690683738 /nfs/dbraw/zinc/68/37/38/690683738.db2.gz LZTNYHZRRLFJKB-UHFFFAOYSA-N 2 0 312.461 2.079 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038355443 690792637 /nfs/dbraw/zinc/79/26/37/690792637.db2.gz ZWQZAAPMXNIRAN-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038443123 690824906 /nfs/dbraw/zinc/82/49/06/690824906.db2.gz GEILTDUDIMYRIB-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038908877 690963071 /nfs/dbraw/zinc/96/30/71/690963071.db2.gz NVXZQGLGBTYUCL-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039049239 691003220 /nfs/dbraw/zinc/00/32/20/691003220.db2.gz JWGOWNIZNBBDOR-INIZCTEOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174424 691040216 /nfs/dbraw/zinc/04/02/16/691040216.db2.gz VKVZXVHJTXXJQU-SJLPKXTDSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041342120 691363109 /nfs/dbraw/zinc/36/31/09/691363109.db2.gz COWCVYCYCHITOE-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041340761 691363821 /nfs/dbraw/zinc/36/38/21/691363821.db2.gz YMVCEUBOSAEFKC-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041380556 691369966 /nfs/dbraw/zinc/36/99/66/691369966.db2.gz ZUARFIPDHLYSRN-WMZOPIPTSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041670423 691407764 /nfs/dbraw/zinc/40/77/64/691407764.db2.gz HUQLNCJEZROBDJ-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001042095920 691507071 /nfs/dbraw/zinc/50/70/71/691507071.db2.gz RPDCRLDVUGKEIS-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042132745 691517537 /nfs/dbraw/zinc/51/75/37/691517537.db2.gz HUYGMEIJHJKDTJ-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045966269 692064353 /nfs/dbraw/zinc/06/43/53/692064353.db2.gz SMKHZXBJXOTLKB-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP 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 692639739 /nfs/dbraw/zinc/63/97/39/692639739.db2.gz PFDRNLAIEAFSAN-FLXSYLCISA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049482251 692896351 /nfs/dbraw/zinc/89/63/51/692896351.db2.gz LMYPYNVWFDTQRV-BSDSXHPESA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049525439 692912574 /nfs/dbraw/zinc/91/25/74/692912574.db2.gz QOMJHTMNRNHCIP-KSZLIROESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535236 692915172 /nfs/dbraw/zinc/91/51/72/692915172.db2.gz ZGXFRJNHUXBAJC-ULQDDVLXSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049763775 692992143 /nfs/dbraw/zinc/99/21/43/692992143.db2.gz YOSAUIULJFYFFY-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]cnc1C ZINC001049867818 693030731 /nfs/dbraw/zinc/03/07/31/693030731.db2.gz PRKIDJKEIMJUMS-IAGOWNOFSA-N 2 0 316.449 2.292 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050156581 693124401 /nfs/dbraw/zinc/12/44/01/693124401.db2.gz QUVGLTNYPIVTQD-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001050580536 693210338 /nfs/dbraw/zinc/21/03/38/693210338.db2.gz RHTFQQBBPCPUPA-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050660995 693226812 /nfs/dbraw/zinc/22/68/12/693226812.db2.gz LNHQNAWZGCAEDR-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052956280 693656656 /nfs/dbraw/zinc/65/66/56/693656656.db2.gz RGUUWOSDMNFVEX-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001343665765 1150761234 /nfs/dbraw/zinc/76/12/34/1150761234.db2.gz NZQUSCSPUPALLS-GFCCVEGCSA-N 2 0 308.451 2.232 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001479893860 1151113292 /nfs/dbraw/zinc/11/32/92/1151113292.db2.gz YWMDVDDRBOSZKX-CQSZACIVSA-N 2 0 304.438 2.087 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001380077553 1152746712 /nfs/dbraw/zinc/74/67/12/1152746712.db2.gz QLEWMNVXURKMKL-UONOGXRCSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001380841424 1152864100 /nfs/dbraw/zinc/86/41/00/1152864100.db2.gz ZJJSSVYXKAHMMY-DZGCQCFKSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001382135994 1153373470 /nfs/dbraw/zinc/37/34/70/1153373470.db2.gz QIJPTUWVJGUJDE-HUUCEWRRSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001382543919 1153467627 /nfs/dbraw/zinc/46/76/27/1153467627.db2.gz XOBFYVOEUYCPIH-KGLIPLIRSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001389329289 1155311122 /nfs/dbraw/zinc/31/11/22/1155311122.db2.gz VVRXFGQHDRZYIN-HUUCEWRRSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001394205929 1158368441 /nfs/dbraw/zinc/36/84/41/1158368441.db2.gz PSHIEWDBKGMHIN-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001405969812 1164362926 /nfs/dbraw/zinc/36/29/26/1164362926.db2.gz MIWFHAGTTJKWJU-UKRRQHHQSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001406176912 1164493623 /nfs/dbraw/zinc/49/36/23/1164493623.db2.gz FNMSPAAVPRNGCW-LSDHHAIUSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001418345556 1167587738 /nfs/dbraw/zinc/58/77/38/1167587738.db2.gz BHPPLFHDQZQXNC-CQSZACIVSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001422919492 1172932466 /nfs/dbraw/zinc/93/24/66/1172932466.db2.gz PSEKFROQVGVZOT-GDBMZVCRSA-N 2 0 323.868 2.478 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850504 790273293 /nfs/dbraw/zinc/27/32/93/790273293.db2.gz ZWRGCEQQFYWAAJ-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001332218711 1149837004 /nfs/dbraw/zinc/83/70/04/1149837004.db2.gz LRTHLIYYKBKGLY-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408303161 1165574641 /nfs/dbraw/zinc/57/46/41/1165574641.db2.gz ZJJSSVYXKAHMMY-ZFWWWQNUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964047 779576028 /nfs/dbraw/zinc/57/60/28/779576028.db2.gz UJIWYMLPCVKRTI-SQNIBIBYSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947473855 783146304 /nfs/dbraw/zinc/14/63/04/783146304.db2.gz OUPFYFIKJWCXBW-GDBMZVCRSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726284 783214145 /nfs/dbraw/zinc/21/41/45/783214145.db2.gz LPZCQKZAUNNFDV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001073033730 790406846 /nfs/dbraw/zinc/40/68/46/790406846.db2.gz SULUYXCMXYFZKK-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP 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 777258986 /nfs/dbraw/zinc/25/89/86/777258986.db2.gz VYLQLVRGYCWZJD-VSZNYVQBSA-N 2 0 321.509 2.365 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104874092 778225590 /nfs/dbraw/zinc/22/55/90/778225590.db2.gz ONTXEOVJYAMGRW-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742422 778313966 /nfs/dbraw/zinc/31/39/66/778313966.db2.gz JFSOTHJWPURDRB-DLBZAZTESA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058500 778317968 /nfs/dbraw/zinc/31/79/68/778317968.db2.gz JJYOLWIUFDIWKT-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000981382079 778701660 /nfs/dbraw/zinc/70/16/60/778701660.db2.gz MDXZUIWRHJHZAH-MSOLQXFVSA-N 2 0 313.445 2.012 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454388 790665597 /nfs/dbraw/zinc/66/55/97/790665597.db2.gz LMBOESUBOCKEGU-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)[C@H]1CC ZINC001087720326 779423081 /nfs/dbraw/zinc/42/30/81/779423081.db2.gz OSWPEOZJOXUZLY-IJEWVQPXSA-N 2 0 316.449 2.375 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985495805 779866562 /nfs/dbraw/zinc/86/65/62/779866562.db2.gz KNYPOJQVNRUCDV-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335873 780851159 /nfs/dbraw/zinc/85/11/59/780851159.db2.gz YJEXLLMDWOZFLC-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168335639 780851837 /nfs/dbraw/zinc/85/18/37/780851837.db2.gz NKDQAIZDLZGHDW-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641335 783311186 /nfs/dbraw/zinc/31/11/86/783311186.db2.gz KVDIUJYOXUPOAW-SJORKVTESA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966099099 783560497 /nfs/dbraw/zinc/56/04/97/783560497.db2.gz CHCZHANTOVLMDV-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639041 783915384 /nfs/dbraw/zinc/91/53/84/783915384.db2.gz GVXAQWPPHWBXAV-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374415 783968565 /nfs/dbraw/zinc/96/85/65/783968565.db2.gz BPMPOCJYWKMMKO-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378113 784339012 /nfs/dbraw/zinc/33/90/12/784339012.db2.gz NTOWEZJNUAOCIV-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086180632 784470847 /nfs/dbraw/zinc/47/08/47/784470847.db2.gz XHNKXGVLCMEFFW-OTVXOJSOSA-N 2 0 305.422 2.015 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086199568 784481987 /nfs/dbraw/zinc/48/19/87/784481987.db2.gz HXPIOAXSNHNZFK-MAEOIBBWSA-N 2 0 315.461 2.075 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001114920990 784488638 /nfs/dbraw/zinc/48/86/38/784488638.db2.gz DYQSLFSGAYTINV-WNRNVDISSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086225611 784501333 /nfs/dbraw/zinc/50/13/33/784501333.db2.gz BGRYXWQQEXNSBX-WOVMCDHWSA-N 2 0 301.434 2.032 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327834 784508534 /nfs/dbraw/zinc/50/85/34/784508534.db2.gz JUVZKEPKTSGGQU-QGZVFWFLSA-N 2 0 309.498 2.417 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681595 784539161 /nfs/dbraw/zinc/53/91/61/784539161.db2.gz KJFYIVPTHISITG-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(=C)C ZINC000968892894 784639478 /nfs/dbraw/zinc/63/94/78/784639478.db2.gz DPPBOGPTXAZBJI-ROUUACIJSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933959 784658697 /nfs/dbraw/zinc/65/86/97/784658697.db2.gz ISCZOVMDLOMXOO-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171235084 791078566 /nfs/dbraw/zinc/07/85/66/791078566.db2.gz DMAAQHBBLKKYON-ROUUACIJSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009146019 785395851 /nfs/dbraw/zinc/39/58/51/785395851.db2.gz QCXXMFPWLWMKSF-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108703783 785494186 /nfs/dbraw/zinc/49/41/86/785494186.db2.gz VKSPBYKKCHYODV-XHSDSOJGSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001112586347 786165304 /nfs/dbraw/zinc/16/53/04/786165304.db2.gz VIOIESTUGQEYRC-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112837807 786249914 /nfs/dbraw/zinc/24/99/14/786249914.db2.gz WGPSEJNBOWZHLH-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112960493 786328762 /nfs/dbraw/zinc/32/87/62/786328762.db2.gz MGXHTZWYINFRKT-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015060039 786880614 /nfs/dbraw/zinc/88/06/14/786880614.db2.gz RMFQHMGBEQIZTM-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713272 787196284 /nfs/dbraw/zinc/19/62/84/787196284.db2.gz LVRHDSBSYMJGBQ-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095962917 787425873 /nfs/dbraw/zinc/42/58/73/787425873.db2.gz MDSLQYZYMHSPOI-IKGGRYGDSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580775 788139665 /nfs/dbraw/zinc/13/96/65/788139665.db2.gz KLKOKCHEMVOVLX-BDXSIMOUSA-N 2 0 317.477 2.158 20 30 DEEDRP 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 788182933 /nfs/dbraw/zinc/18/29/33/788182933.db2.gz KGJLUIYWXATARA-TVFCKZIOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790976 788194721 /nfs/dbraw/zinc/19/47/21/788194721.db2.gz OOCGVAKWNJQEFT-HNNXBMFYSA-N 2 0 313.873 2.242 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132894063 788220853 /nfs/dbraw/zinc/22/08/53/788220853.db2.gz WMXXPJJOOZXYMT-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133229327 788324987 /nfs/dbraw/zinc/32/49/87/788324987.db2.gz IRBGPAJPADDLHW-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133245656 788331596 /nfs/dbraw/zinc/33/15/96/788331596.db2.gz IMDRWDVFVXXDQA-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275143 788346621 /nfs/dbraw/zinc/34/66/21/788346621.db2.gz PYDFZMGELREGFD-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086716683 788734880 /nfs/dbraw/zinc/73/48/80/788734880.db2.gz MMEHJBSAWVALNZ-YESZJQIVSA-N 2 0 307.482 2.025 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134518096 788960567 /nfs/dbraw/zinc/96/05/67/788960567.db2.gz BBFJYQDXWZTCQH-ZIAGYGMSSA-N 2 0 321.490 2.320 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858250 789116833 /nfs/dbraw/zinc/11/68/33/789116833.db2.gz QCTADJUMZPVYPR-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135080891 789191397 /nfs/dbraw/zinc/19/13/97/789191397.db2.gz CZLBSPYXRUWSIP-HOTGVXAUSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081968 789193262 /nfs/dbraw/zinc/19/32/62/789193262.db2.gz VXFNMIMRSQDUSN-HZPDHXFCSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135102369 789199269 /nfs/dbraw/zinc/19/92/69/789199269.db2.gz ZENBQSJDEIRVKI-IAGOWNOFSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675982 789443152 /nfs/dbraw/zinc/44/31/52/789443152.db2.gz OGVCQUORHMSOLK-HZPDHXFCSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071599824 789804024 /nfs/dbraw/zinc/80/40/24/789804024.db2.gz AXHXOCPFVGXJTP-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072813563 790256549 /nfs/dbraw/zinc/25/65/49/790256549.db2.gz WNZLKEAQXBQPNZ-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146536525 791307598 /nfs/dbraw/zinc/30/75/98/791307598.db2.gz RTNLDLAFZLURAI-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146584695 791309230 /nfs/dbraw/zinc/30/92/30/791309230.db2.gz UMHKARHWOLRVOH-JKSUJKDBSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146582402 791316228 /nfs/dbraw/zinc/31/62/28/791316228.db2.gz HCMXWVOZFJWWMP-CABCVRRESA-N 2 0 303.450 2.421 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147772773 791612347 /nfs/dbraw/zinc/61/23/47/791612347.db2.gz CKRVGZLGTLPRBE-JKSUJKDBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148641326 791780475 /nfs/dbraw/zinc/78/04/75/791780475.db2.gz ZNRGWTCIYSLZMA-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748379 791799783 /nfs/dbraw/zinc/79/97/83/791799783.db2.gz QKXUBBZWLREXCS-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754102 791815123 /nfs/dbraw/zinc/81/51/23/791815123.db2.gz DCMXJSYYRXSWRC-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001092302245 791973241 /nfs/dbraw/zinc/97/32/41/791973241.db2.gz VBYQCHAVVLJUIX-AOIWGVFYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650900 792095995 /nfs/dbraw/zinc/09/59/95/792095995.db2.gz WRZSHHTYDOEQSS-UKRRQHHQSA-N 2 0 321.490 2.293 20 30 DEEDRP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548301 792238259 /nfs/dbraw/zinc/23/82/59/792238259.db2.gz SRLFQNSAKPCLQL-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001100344803 792602964 /nfs/dbraw/zinc/60/29/64/792602964.db2.gz GFFVKEPGMMLUPX-SJJHQCBESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403405 792631891 /nfs/dbraw/zinc/63/18/91/792631891.db2.gz MSSDGSMXIBYGCE-AQFXKWCLSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001100606718 792747844 /nfs/dbraw/zinc/74/78/44/792747844.db2.gz UAQDWUKPXFEKDQ-SOEBMCCKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380534 792898198 /nfs/dbraw/zinc/89/81/98/792898198.db2.gz SBLISAAARVFDHD-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094449347 792929016 /nfs/dbraw/zinc/92/90/16/792929016.db2.gz MYUNLBPWSSZRMP-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477515 793174204 /nfs/dbraw/zinc/17/42/04/793174204.db2.gz YDBLZIKRLKSFQF-AEFFLSMTSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCOCC)CC1 ZINC001172428201 793420109 /nfs/dbraw/zinc/42/01/09/793420109.db2.gz ZOEDPWUFWRXTJM-SFHVURJKSA-N 2 0 309.498 2.093 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375747 793594734 /nfs/dbraw/zinc/59/47/34/793594734.db2.gz ZQSGBVWFWLCQQJ-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434022 793613813 /nfs/dbraw/zinc/61/38/13/793613813.db2.gz LLKFIAILJCGDDB-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583074 793663955 /nfs/dbraw/zinc/66/39/55/793663955.db2.gz PGSBYWWEHQINNE-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCOC1CCC([NH2+]CCN2CC[NH+](C(C)C)CC2)CC1 ZINC001173315996 793688863 /nfs/dbraw/zinc/68/88/63/793688863.db2.gz VAKAOYGWDWUVFG-UHFFFAOYSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232591 793993774 /nfs/dbraw/zinc/99/37/74/793993774.db2.gz XAYNDJPAUHCSPK-HUUCEWRRSA-N 2 0 312.417 2.208 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001174882791 794082455 /nfs/dbraw/zinc/08/24/55/794082455.db2.gz XHTLQFHYWDXFAB-SJORKVTESA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438422 794091275 /nfs/dbraw/zinc/09/12/75/794091275.db2.gz HXBVGLFXTDKALT-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497731 794118943 /nfs/dbraw/zinc/11/89/43/794118943.db2.gz VVZLOICLHDRTFX-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192595 794370961 /nfs/dbraw/zinc/37/09/61/794370961.db2.gz NBQIAZPWUDIOMB-OAHLLOKOSA-N 2 0 316.449 2.049 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728939 794482372 /nfs/dbraw/zinc/48/23/72/794482372.db2.gz RUBQIXLTGSMJCB-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC/C=C/CCC)CC1 ZINC001176925863 794529943 /nfs/dbraw/zinc/52/99/43/794529943.db2.gz CUWQIVPXIBEBHU-VOTSOKGWSA-N 2 0 319.493 2.174 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCC[NH+](C)C ZINC001177467201 794673218 /nfs/dbraw/zinc/67/32/18/794673218.db2.gz VSHGIMZMFREOHL-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596599 794833826 /nfs/dbraw/zinc/83/38/26/794833826.db2.gz OAPLQQDICKIWMK-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708259 794888718 /nfs/dbraw/zinc/88/87/18/794888718.db2.gz XANDYCLVTKTXJP-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730909 794898946 /nfs/dbraw/zinc/89/89/46/794898946.db2.gz ULGNRRGXNRKSJF-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178484366 794936001 /nfs/dbraw/zinc/93/60/01/794936001.db2.gz UCNQWHUSXGVUHC-IAGOWNOFSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178612222 794958735 /nfs/dbraw/zinc/95/87/35/794958735.db2.gz MYHDOBUFIRUKPX-OAHLLOKOSA-N 2 0 301.450 2.119 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001178811121 795002815 /nfs/dbraw/zinc/00/28/15/795002815.db2.gz RILQKCYOLCMCML-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179593013 795140048 /nfs/dbraw/zinc/14/00/48/795140048.db2.gz UTZVBONRQBIPRT-UHFFFAOYSA-N 2 0 309.498 2.254 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179656677 795148326 /nfs/dbraw/zinc/14/83/26/795148326.db2.gz NVBVPYRCKNJKOG-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068906 795235544 /nfs/dbraw/zinc/23/55/44/795235544.db2.gz PRPCSVWULAFDGB-UHFFFAOYSA-N 2 0 313.873 2.101 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204399 795256171 /nfs/dbraw/zinc/25/61/71/795256171.db2.gz PLFHPTIHLKRIIA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001180294467 795276550 /nfs/dbraw/zinc/27/65/50/795276550.db2.gz IHIJVDGFLAPPHY-UHFFFAOYSA-N 2 0 307.482 2.152 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)c2c[nH+]ccc2N(C)C)CCCCC1 ZINC001120020376 795392882 /nfs/dbraw/zinc/39/28/82/795392882.db2.gz BWFLCICINVGDEE-UHFFFAOYSA-N 2 0 316.449 2.356 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001181780870 795538701 /nfs/dbraw/zinc/53/87/01/795538701.db2.gz CHVZXUUCIVSDCZ-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001181884119 795556056 /nfs/dbraw/zinc/55/60/56/795556056.db2.gz BUQFPJYQIMVCEU-XNRPHZJLSA-N 2 0 315.889 2.153 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182125099 795607319 /nfs/dbraw/zinc/60/73/19/795607319.db2.gz NZMJSMVRUWYQCS-DNVCBOLYSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001121687700 795673591 /nfs/dbraw/zinc/67/35/91/795673591.db2.gz UACYUNNFUNFDHU-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121772897 795685942 /nfs/dbraw/zinc/68/59/42/795685942.db2.gz JYUKRBNOGWPBGS-NYXDSXFPSA-N 2 0 319.493 2.167 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121773115 795685987 /nfs/dbraw/zinc/68/59/87/795685987.db2.gz OIQVORMCZBIGDE-FIXVGMIGSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182479469 795689254 /nfs/dbraw/zinc/68/92/54/795689254.db2.gz DABWWSWCSXOLDA-JFIYKMOQSA-N 2 0 309.498 2.367 20 30 DEEDRP 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 795715079 /nfs/dbraw/zinc/71/50/79/795715079.db2.gz YAIYMWSDEASSOZ-ZHALLVOQSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122080381 795724172 /nfs/dbraw/zinc/72/41/72/795724172.db2.gz CYANZYVUZTUUTB-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547114 795782127 /nfs/dbraw/zinc/78/21/27/795782127.db2.gz CZXVUQIOGSGIEB-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183254795 795838627 /nfs/dbraw/zinc/83/86/27/795838627.db2.gz GBPUVUINDYWKJH-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183268295 795843197 /nfs/dbraw/zinc/84/31/97/795843197.db2.gz SOEJIGASHFUNHB-IAGOWNOFSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267811 795843466 /nfs/dbraw/zinc/84/34/66/795843466.db2.gz NTPPRMHEOLUZQG-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001183496971 795881591 /nfs/dbraw/zinc/88/15/91/795881591.db2.gz RSTDEQAPDWIBSB-CVEARBPZSA-N 2 0 304.438 2.237 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001183495621 795881706 /nfs/dbraw/zinc/88/17/06/795881706.db2.gz BIBWTQZWYOXKLT-HZPDHXFCSA-N 2 0 304.438 2.237 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184584684 796088108 /nfs/dbraw/zinc/08/81/08/796088108.db2.gz GJTKHJHOYCBECC-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001138121861 796166037 /nfs/dbraw/zinc/16/60/37/796166037.db2.gz OEJHWMZUCFQYDY-GOSISDBHSA-N 2 0 315.461 2.227 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185167187 796199781 /nfs/dbraw/zinc/19/97/81/796199781.db2.gz CXDHBPMOASZHFW-IRXDYDNUSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185447296 796269739 /nfs/dbraw/zinc/26/97/39/796269739.db2.gz RGOMWCIGDLFZCS-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185447301 796270145 /nfs/dbraw/zinc/27/01/45/796270145.db2.gz RGOMWCIGDLFZCS-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185551324 796279921 /nfs/dbraw/zinc/27/99/21/796279921.db2.gz ZDBGCFFAHCQXLN-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001202872477 796293703 /nfs/dbraw/zinc/29/37/03/796293703.db2.gz GPUVIZBYMPJUNV-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186083128 796356192 /nfs/dbraw/zinc/35/61/92/796356192.db2.gz RWZXJIOGYSRMDM-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001187091650 796487099 /nfs/dbraw/zinc/48/70/99/796487099.db2.gz JTFFUGUKXAELCN-ZIAGYGMSSA-N 2 0 304.438 2.233 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203043782 796533411 /nfs/dbraw/zinc/53/34/11/796533411.db2.gz FGORXZBKRXRUCE-IRXDYDNUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001141544315 796675903 /nfs/dbraw/zinc/67/59/03/796675903.db2.gz MVXHBWFYBFQOAN-UHFFFAOYSA-N 2 0 315.461 2.147 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212862 796963918 /nfs/dbraw/zinc/96/39/18/796963918.db2.gz LXAUTMRQBGVWIK-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190363586 796988888 /nfs/dbraw/zinc/98/88/88/796988888.db2.gz RWEISPNOQVTMJX-YESZJQIVSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654191 797050219 /nfs/dbraw/zinc/05/02/19/797050219.db2.gz IABYZIXDXQNOEX-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163257 797149623 /nfs/dbraw/zinc/14/96/23/797149623.db2.gz UYGNJHOTWLLKHZ-INIZCTEOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551361 797225470 /nfs/dbraw/zinc/22/54/70/797225470.db2.gz KJOOQKZPGBDQHW-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378052 797376562 /nfs/dbraw/zinc/37/65/62/797376562.db2.gz RHPWOZOLBKGKIK-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990988 797438645 /nfs/dbraw/zinc/43/86/45/797438645.db2.gz ZRQYGTOTQYSBGK-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001154083179 797458621 /nfs/dbraw/zinc/45/86/21/797458621.db2.gz LDSAHLXJTYDSOK-HZPDHXFCSA-N 2 0 318.465 2.238 20 30 DEEDRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155020898 797662026 /nfs/dbraw/zinc/66/20/26/797662026.db2.gz QGQHEWCCCJMVHS-KGLIPLIRSA-N 2 0 313.449 2.037 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238012 797715417 /nfs/dbraw/zinc/71/54/17/797715417.db2.gz UPVHQUGPXVVUFY-PBHICJAKSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430518 797731367 /nfs/dbraw/zinc/73/13/67/797731367.db2.gz VXRZYKOZEQCRLT-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001196163016 798013901 /nfs/dbraw/zinc/01/39/01/798013901.db2.gz FBVLDSLWBIMQGN-RDJZCZTQSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158108 798156582 /nfs/dbraw/zinc/15/65/82/798156582.db2.gz HLYMJQVYNJTZDQ-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978358 798319736 /nfs/dbraw/zinc/31/97/36/798319736.db2.gz SJNPHLNQBUTPHQ-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159155382 798530028 /nfs/dbraw/zinc/53/00/28/798530028.db2.gz NXVREXJTLFUTCI-LSDHHAIUSA-N 2 0 301.450 2.117 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159915224 798624545 /nfs/dbraw/zinc/62/45/45/798624545.db2.gz HTYQNLXAAOEDMJ-KRWDZBQOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155361 798656027 /nfs/dbraw/zinc/65/60/27/798656027.db2.gz CHYFLUIGPMPSRZ-SFHVURJKSA-N 2 0 317.477 2.043 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360311 798679513 /nfs/dbraw/zinc/67/95/13/798679513.db2.gz ONHHKXABRMPDMD-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160367995 798680026 /nfs/dbraw/zinc/68/00/26/798680026.db2.gz YAYNXEHKCUUNOZ-KRWDZBQOSA-N 2 0 305.466 2.041 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160367996 798680380 /nfs/dbraw/zinc/68/03/80/798680380.db2.gz YAYNXEHKCUUNOZ-QGZVFWFLSA-N 2 0 305.466 2.041 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160518908 798698989 /nfs/dbraw/zinc/69/89/89/798698989.db2.gz SUFJYRQMYRARNV-UHFFFAOYSA-N 2 0 307.482 2.431 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3cc(C#N)ccc3O)cc[nH+]2)CC1 ZINC001201667647 798780898 /nfs/dbraw/zinc/78/08/98/798780898.db2.gz XQAQABKULDMVTH-UHFFFAOYSA-N 2 0 309.373 2.154 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368764 799018040 /nfs/dbraw/zinc/01/80/40/799018040.db2.gz XKISKIWVNOMPGS-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP 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 799597238 /nfs/dbraw/zinc/59/72/38/799597238.db2.gz RIXITVGELXEKFV-HMDCTGQHSA-N 2 0 305.466 2.014 20 30 DEEDRP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc(CC#N)ccn2)CC1 ZINC001165109094 799652327 /nfs/dbraw/zinc/65/23/27/799652327.db2.gz NAEGHMBYAOEIMH-QGZVFWFLSA-N 2 0 314.433 2.227 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111021548 799834164 /nfs/dbraw/zinc/83/41/64/799834164.db2.gz YFNDRUGEMQPEQM-HZMVEIRTSA-N 2 0 305.466 2.158 20 30 DEEDRP 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 799837589 /nfs/dbraw/zinc/83/75/89/799837589.db2.gz CPOAPSQTYYPASB-OAGGEKHMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203324260 800037708 /nfs/dbraw/zinc/03/77/08/800037708.db2.gz GOHJDTJEUFKSHV-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203578224 800084428 /nfs/dbraw/zinc/08/44/28/800084428.db2.gz VSBGYCBLABGBDI-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203739578 800115440 /nfs/dbraw/zinc/11/54/40/800115440.db2.gz JSUURGJMSREGMU-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772404 800120576 /nfs/dbraw/zinc/12/05/76/800120576.db2.gz SHOUPXXSGTYIJF-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP N#Cc1ccccc1N1CC[NH+](CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001204622120 800241461 /nfs/dbraw/zinc/24/14/61/800241461.db2.gz ZMOYHJISTIKFAG-UHFFFAOYSA-N 2 0 324.472 2.460 20 30 DEEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221878 800321898 /nfs/dbraw/zinc/32/18/98/800321898.db2.gz XPKIDASEILJAFM-GOSISDBHSA-N 2 0 304.434 2.317 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469657 800361619 /nfs/dbraw/zinc/36/16/19/800361619.db2.gz QURSHPUFNPOIAF-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205768215 800417006 /nfs/dbraw/zinc/41/70/06/800417006.db2.gz NUOOVAZHABGELG-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP N#Cc1ccc2c(CN3CCC(F)(F)[C@H](C[NH3+])C3)c[nH]c2c1 ZINC001205781308 800418593 /nfs/dbraw/zinc/41/85/93/800418593.db2.gz VWDDORRSUCLQRZ-CYBMUJFWSA-N 2 0 304.344 2.455 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208358783 800965881 /nfs/dbraw/zinc/96/58/81/800965881.db2.gz NFZHCQQOFNOJBD-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208747527 801061651 /nfs/dbraw/zinc/06/16/51/801061651.db2.gz CHWLDMATDCPQAL-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304874 801168164 /nfs/dbraw/zinc/16/81/64/801168164.db2.gz VGKQRJUSDKBPKT-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP COc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccc1C#N ZINC001210265174 801363965 /nfs/dbraw/zinc/36/39/65/801363965.db2.gz AGTRWSATGOQFFM-UHFFFAOYSA-N 2 0 309.373 2.115 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334039 801389458 /nfs/dbraw/zinc/38/94/58/801389458.db2.gz DJIWPMGRLCSHDF-IYBDPMFKSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210584671 801426159 /nfs/dbraw/zinc/42/61/59/801426159.db2.gz JPNNCPPYMVUDTH-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845476 801765479 /nfs/dbraw/zinc/76/54/79/801765479.db2.gz VWHUXMRBNKKCOW-FGTMMUONSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214856144 801767399 /nfs/dbraw/zinc/76/73/99/801767399.db2.gz XGVZZVXAJOVZDI-KBAYOESNSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224344 801823647 /nfs/dbraw/zinc/82/36/47/801823647.db2.gz OKIFMAZUFOLVAX-KBAYOESNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215519114 801869860 /nfs/dbraw/zinc/86/98/60/801869860.db2.gz YGSNESMYXFSLBT-BPLDGKMQSA-N 2 0 315.889 2.296 20 30 DEEDRP COC(=O)CCN(CCC[NH+](C)C)Cc1ccc(C#N)cc1C ZINC001233080830 802023263 /nfs/dbraw/zinc/02/32/63/802023263.db2.gz DMWBEIYOZKVOSU-UHFFFAOYSA-N 2 0 317.433 2.184 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234265713 802336963 /nfs/dbraw/zinc/33/69/63/802336963.db2.gz KYYUBBWSWZHPPQ-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823260 802381037 /nfs/dbraw/zinc/38/10/37/802381037.db2.gz OAVBBJQPLMNDGM-UONOGXRCSA-N 2 0 307.463 2.472 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159085 802418988 /nfs/dbraw/zinc/41/89/88/802418988.db2.gz MEDXCHNRRDSSCK-XYJFISCASA-N 2 0 307.482 2.489 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500930 802796482 /nfs/dbraw/zinc/79/64/82/802796482.db2.gz ZIAKJRBCTUWZRV-KSZLIROESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522017 802796859 /nfs/dbraw/zinc/79/68/59/802796859.db2.gz LKEYXBHFEBRAIW-SJORKVTESA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001224023552 802830439 /nfs/dbraw/zinc/83/04/39/802830439.db2.gz DTHYHNYSFBQFIL-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228647541 803386963 /nfs/dbraw/zinc/38/69/63/803386963.db2.gz VTPFQDQLCZTARR-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368335762 1148417330 /nfs/dbraw/zinc/41/73/30/1148417330.db2.gz JDLQDSKBMYKAQT-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500162771 1058535447 /nfs/dbraw/zinc/53/54/47/1058535447.db2.gz RDPHZAGTNXVQCT-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001500163264 1058536324 /nfs/dbraw/zinc/53/63/24/1058536324.db2.gz UOFXGAUVXHCHPQ-IBGZPJMESA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001500197023 1058578204 /nfs/dbraw/zinc/57/82/04/1058578204.db2.gz FWBFNSPMCXCXCW-WMZOPIPTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001500466006 1058809193 /nfs/dbraw/zinc/80/91/93/1058809193.db2.gz PDABGOCZZRAZCZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001467728271 1059694353 /nfs/dbraw/zinc/69/43/53/1059694353.db2.gz CNDOIZIWVZKOQG-KRWDZBQOSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001467728272 1059694994 /nfs/dbraw/zinc/69/49/94/1059694994.db2.gz CNDOIZIWVZKOQG-QGZVFWFLSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001502532103 1060166634 /nfs/dbraw/zinc/16/66/34/1060166634.db2.gz JZYRNIXBOVTZDD-SFHVURJKSA-N 2 0 315.461 2.057 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001505399386 1060531573 /nfs/dbraw/zinc/53/15/73/1060531573.db2.gz JZOTVORXVAHFRR-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001505411271 1060546742 /nfs/dbraw/zinc/54/67/42/1060546742.db2.gz JDRCIMYAMQGQSL-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001505786296 1060963341 /nfs/dbraw/zinc/96/33/41/1060963341.db2.gz RPZHRFNEQVZXOY-ABHNRTSZSA-N 2 0 321.509 2.489 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001479486865 1061473921 /nfs/dbraw/zinc/47/39/21/1061473921.db2.gz LZVASKBAVLOSIM-GVDBMIGSSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCC ZINC001479579105 1061509565 /nfs/dbraw/zinc/50/95/65/1061509565.db2.gz SRPQKGXAPRDLOG-HIFRSBDPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001479642037 1061554490 /nfs/dbraw/zinc/55/44/90/1061554490.db2.gz YDBAUZFJNPXEKO-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001479688055 1061603385 /nfs/dbraw/zinc/60/33/85/1061603385.db2.gz OMKOBBGPRGUHGA-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479690296 1061603437 /nfs/dbraw/zinc/60/34/37/1061603437.db2.gz ZWLKVGBOOUKCKI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001479778302 1061739791 /nfs/dbraw/zinc/73/97/91/1061739791.db2.gz SAXNIWMMRWPIJY-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001480051604 1062245192 /nfs/dbraw/zinc/24/51/92/1062245192.db2.gz SQYWTLLMTWMZBP-IRXDYDNUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480144372 1062384610 /nfs/dbraw/zinc/38/46/10/1062384610.db2.gz HLYZRXNSMMRWBZ-WKILWMFISA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480333086 1062669029 /nfs/dbraw/zinc/66/90/29/1062669029.db2.gz QMOKPBNLSCTXKD-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507016322 1062678861 /nfs/dbraw/zinc/67/88/61/1062678861.db2.gz WQXOJOJSVCDMOS-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001507326538 1063099972 /nfs/dbraw/zinc/09/99/72/1063099972.db2.gz VDYKPEXRQBPZOA-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480621899 1063114544 /nfs/dbraw/zinc/11/45/44/1063114544.db2.gz CLQBFJPOIOZIOC-IRXDYDNUSA-N 2 0 309.498 2.489 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001507969311 1063483400 /nfs/dbraw/zinc/48/34/00/1063483400.db2.gz GIZQGDFPWMNOHV-IAGOWNOFSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001508151686 1063581679 /nfs/dbraw/zinc/58/16/79/1063581679.db2.gz UPQIDPXSWVAZDT-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001493858259 1063996286 /nfs/dbraw/zinc/99/62/86/1063996286.db2.gz BAULZUHUDKHYHQ-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001494178233 1064160052 /nfs/dbraw/zinc/16/00/52/1064160052.db2.gz HSSGBWGRSJEBRI-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001494210226 1064174811 /nfs/dbraw/zinc/17/48/11/1064174811.db2.gz DJLFJDNVOQAYFD-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567406030 1064185802 /nfs/dbraw/zinc/18/58/02/1064185802.db2.gz NCBMDBADIBLSFQ-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001568208673 1064701610 /nfs/dbraw/zinc/70/16/10/1064701610.db2.gz PBGCAPPFXYTNTB-OAHLLOKOSA-N 2 0 303.450 2.280 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001568337069 1064787650 /nfs/dbraw/zinc/78/76/50/1064787650.db2.gz CXONQFYSDMNALQ-SFHVURJKSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568387353 1064829440 /nfs/dbraw/zinc/82/94/40/1064829440.db2.gz VBWNNFBYKRFQSC-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568697882 1065057869 /nfs/dbraw/zinc/05/78/69/1065057869.db2.gz UEEWFOLPOZDYBI-HNNXBMFYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001569217876 1065373462 /nfs/dbraw/zinc/37/34/62/1065373462.db2.gz ACZVRFZESHVLIY-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001496443827 1065473577 /nfs/dbraw/zinc/47/35/77/1065473577.db2.gz IOLSVTJFJIUHFP-GDBMZVCRSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001496465602 1065487983 /nfs/dbraw/zinc/48/79/83/1065487983.db2.gz YOVNFKSIXXVUKL-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569672286 1065663768 /nfs/dbraw/zinc/66/37/68/1065663768.db2.gz FOQIPYBLEPNVMP-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001570449584 1066076665 /nfs/dbraw/zinc/07/66/65/1066076665.db2.gz RNAWFJCAOLMOJT-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001570448644 1066076901 /nfs/dbraw/zinc/07/69/01/1066076901.db2.gz GKLGKIZKEWZJGZ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001498284007 1066614208 /nfs/dbraw/zinc/61/42/08/1066614208.db2.gz RMNYWHICCCYCFM-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001498301466 1066623761 /nfs/dbraw/zinc/62/37/61/1066623761.db2.gz NSSVBCCNQIXOSM-CYBMUJFWSA-N 2 0 309.479 2.436 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001266984129 1078481033 /nfs/dbraw/zinc/48/10/33/1078481033.db2.gz VPDSRYHKSDISLF-RDJZCZTQSA-N 2 0 303.450 2.350 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499573402 1067263692 /nfs/dbraw/zinc/26/36/92/1067263692.db2.gz DEJZDGPDMJJJJG-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499614818 1067279916 /nfs/dbraw/zinc/27/99/16/1067279916.db2.gz TXJKBKPBRIUKBT-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267175904 1078640765 /nfs/dbraw/zinc/64/07/65/1078640765.db2.gz VQLIEJSOCGHQQF-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001570822423 1068128850 /nfs/dbraw/zinc/12/88/50/1068128850.db2.gz CWFUGPUBHHZWBC-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267200501 1078660172 /nfs/dbraw/zinc/66/01/72/1078660172.db2.gz CSAOXTRZSYYHCD-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267293330 1078739478 /nfs/dbraw/zinc/73/94/78/1078739478.db2.gz QKIMOHASDFMUPK-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC=C(C)C)CCC)CC1 ZINC001267320508 1078763304 /nfs/dbraw/zinc/76/33/04/1078763304.db2.gz MPMUBMQYJVDCPU-UHFFFAOYSA-N 2 0 319.493 2.126 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566534197 1072618748 /nfs/dbraw/zinc/61/87/48/1072618748.db2.gz JMAAHWJCDZLQOH-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267568716 1079004235 /nfs/dbraw/zinc/00/42/35/1079004235.db2.gz XDAKXXYUEONHPT-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001483935515 1079195543 /nfs/dbraw/zinc/19/55/43/1079195543.db2.gz XNBBXHJJKYLAGQ-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001484009218 1079239869 /nfs/dbraw/zinc/23/98/69/1079239869.db2.gz ZIUNNLDVZMWPME-QGZVFWFLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072408 1079286367 /nfs/dbraw/zinc/28/63/67/1079286367.db2.gz UZNBOMYGMZRCEU-GOSISDBHSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001565828254 1075191232 /nfs/dbraw/zinc/19/12/32/1075191232.db2.gz LNTRPBKKRKAVQW-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267690168 1079376381 /nfs/dbraw/zinc/37/63/81/1079376381.db2.gz XXTAUBBSAQCLPW-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267695478 1079383470 /nfs/dbraw/zinc/38/34/70/1079383470.db2.gz XQJKGNVUMSPAJC-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001566732281 1075328412 /nfs/dbraw/zinc/32/84/12/1075328412.db2.gz AFDONSHUZFBIEN-ROUUACIJSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001566903391 1075379699 /nfs/dbraw/zinc/37/96/99/1075379699.db2.gz NLIRVYPRRSVWBF-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001566985779 1075408159 /nfs/dbraw/zinc/40/81/59/1075408159.db2.gz RXAKGYFCRBRGKL-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567155918 1075448094 /nfs/dbraw/zinc/44/80/94/1075448094.db2.gz ZZWNRNRDPUIEQY-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267790348 1079496612 /nfs/dbraw/zinc/49/66/12/1079496612.db2.gz MGPPYERITHVLCY-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267932944 1079614500 /nfs/dbraw/zinc/61/45/00/1079614500.db2.gz XHCVSUWHFOGKQQ-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001481340384 1079734651 /nfs/dbraw/zinc/73/46/51/1079734651.db2.gz QLVYUSWLUJPIDJ-DOTOQJQBSA-N 2 0 309.498 2.365 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481492857 1079950911 /nfs/dbraw/zinc/95/09/11/1079950911.db2.gz YYIMKIALFXHAEU-INIZCTEOSA-N 2 0 324.428 2.060 20 30 DEEDRP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001481520493 1079992432 /nfs/dbraw/zinc/99/24/32/1079992432.db2.gz SAQIHVGOFMHBCN-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481535582 1080018804 /nfs/dbraw/zinc/01/88/04/1080018804.db2.gz ZQENCVSUPAOJRY-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211958 1080072450 /nfs/dbraw/zinc/07/24/50/1080072450.db2.gz MGNQLYFWUZMWBX-CABCVRRESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268154794 1080128408 /nfs/dbraw/zinc/12/84/08/1080128408.db2.gz DMZFMKNHGRRRRY-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656909919 1080137984 /nfs/dbraw/zinc/13/79/84/1080137984.db2.gz SOIHSQYVGVFMFQ-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268164636 1080146723 /nfs/dbraw/zinc/14/67/23/1080146723.db2.gz YBSNAZCBMFTLPF-BZSNNMDCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001268252117 1080232718 /nfs/dbraw/zinc/23/27/18/1080232718.db2.gz PAEOEHLOBYMGRG-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001485524908 1080282260 /nfs/dbraw/zinc/28/22/60/1080282260.db2.gz CAZLQLBUPGPDNX-OAHLLOKOSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001660475383 1080336687 /nfs/dbraw/zinc/33/66/87/1080336687.db2.gz MMSLNRRLWQUTES-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547761 1080483069 /nfs/dbraw/zinc/48/30/69/1080483069.db2.gz KSKWGVDPSIDTMB-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980800 1080490336 /nfs/dbraw/zinc/49/03/36/1080490336.db2.gz BEMYXHPWAOBMTE-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001662113455 1080570116 /nfs/dbraw/zinc/57/01/16/1080570116.db2.gz OPSKTJGTTOKTHN-JCYILVPMSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001662219144 1080585516 /nfs/dbraw/zinc/58/55/16/1080585516.db2.gz CADUXNOVERIFPI-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001662690650 1080634477 /nfs/dbraw/zinc/63/44/77/1080634477.db2.gz JDBGCINLUQAZSI-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107329008 1080731745 /nfs/dbraw/zinc/73/17/45/1080731745.db2.gz FBHQZFWLYQEJKD-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268539425 1080733872 /nfs/dbraw/zinc/73/38/72/1080733872.db2.gz SYGNTUBBZMPJQS-MWWKQMNYSA-N 2 0 305.466 2.089 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001666828891 1081183758 /nfs/dbraw/zinc/18/37/58/1081183758.db2.gz CPFCCLFUJRLNIB-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001667151837 1081216384 /nfs/dbraw/zinc/21/63/84/1081216384.db2.gz VJDRYGINSUOXEJ-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001667279090 1081232974 /nfs/dbraw/zinc/23/29/74/1081232974.db2.gz KWEHMTFSCYFUJY-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001667426012 1081250316 /nfs/dbraw/zinc/25/03/16/1081250316.db2.gz FNAGZJVUPWXWKA-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001269744372 1081352844 /nfs/dbraw/zinc/35/28/44/1081352844.db2.gz CHMOYOFPTAHPPQ-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000950518765 1081358352 /nfs/dbraw/zinc/35/83/52/1081358352.db2.gz OIAMANCHQBOXRP-UHFFFAOYSA-N 2 0 315.461 2.125 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669336230 1081445798 /nfs/dbraw/zinc/44/57/98/1081445798.db2.gz GASBLOKPYUTFGN-CYBMUJFWSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001270293098 1081495368 /nfs/dbraw/zinc/49/53/68/1081495368.db2.gz GFRQJQOIUVEBDU-MSOLQXFVSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001671530186 1081521565 /nfs/dbraw/zinc/52/15/65/1081521565.db2.gz HFXFUBRGLHJZTA-OIISXLGYSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000951781928 1081584607 /nfs/dbraw/zinc/58/46/07/1081584607.db2.gz QBZFAROOTWXNRS-HZPDHXFCSA-N 2 0 316.449 2.023 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)CC1 ZINC001672380964 1081590799 /nfs/dbraw/zinc/59/07/99/1081590799.db2.gz HGVQLWRBCDOPFO-QAQDUYKDSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001673496167 1081776766 /nfs/dbraw/zinc/77/67/66/1081776766.db2.gz HXHOKUJMRFQWGS-DLBZAZTESA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001673650998 1081789226 /nfs/dbraw/zinc/78/92/26/1081789226.db2.gz QAUYBUMWFWCWND-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001673878145 1081807139 /nfs/dbraw/zinc/80/71/39/1081807139.db2.gz NIWQNMGNYFCNDH-WBVHZDCISA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001270991915 1081866547 /nfs/dbraw/zinc/86/65/47/1081866547.db2.gz QWOVWKWLSNRIDS-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001270991914 1081867291 /nfs/dbraw/zinc/86/72/91/1081867291.db2.gz QWOVWKWLSNRIDS-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001482469421 1081941715 /nfs/dbraw/zinc/94/17/15/1081941715.db2.gz DIQNDLUQDHZKDE-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC/C=C/CC)CC1 ZINC001271217828 1081993054 /nfs/dbraw/zinc/99/30/54/1081993054.db2.gz VNTMQGDYDVBTEY-IWAYRVGRSA-N 2 0 319.493 2.124 20 30 DEEDRP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001271270020 1082003439 /nfs/dbraw/zinc/00/34/39/1082003439.db2.gz QACNOQAEBCJLNL-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001266377030 1082007950 /nfs/dbraw/zinc/00/79/50/1082007950.db2.gz NHINCXISLBGFKE-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271541766 1082077299 /nfs/dbraw/zinc/07/72/99/1082077299.db2.gz YVGPXEIRWOZUBN-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001271560814 1082081551 /nfs/dbraw/zinc/08/15/51/1082081551.db2.gz MKFHPFCPPYLUKV-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001648839000 1082102953 /nfs/dbraw/zinc/10/29/53/1082102953.db2.gz LKEPWUFZNJDPNQ-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001271717915 1082118455 /nfs/dbraw/zinc/11/84/55/1082118455.db2.gz YAYOTEAQWGSENJ-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266573345 1082167203 /nfs/dbraw/zinc/16/72/03/1082167203.db2.gz QPGHOQSWAILBQM-QGZVFWFLSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001482533673 1082169342 /nfs/dbraw/zinc/16/93/42/1082169342.db2.gz ZRFYSCWURXHDIP-IAGOWNOFSA-N 2 0 307.482 2.025 20 30 DEEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001671599516 1082248905 /nfs/dbraw/zinc/24/89/05/1082248905.db2.gz XTKRVYRGKHUXQB-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266795646 1082349439 /nfs/dbraw/zinc/34/94/39/1082349439.db2.gz OGVZXGSDVFXCBI-MRXNPFEDSA-N 2 0 324.428 2.108 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482678800 1082469726 /nfs/dbraw/zinc/46/97/26/1082469726.db2.gz SWDAZZDTYJWQMH-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482680970 1082473296 /nfs/dbraw/zinc/47/32/96/1082473296.db2.gz GGDCHZMBMXGARP-RHSMWYFYSA-N 2 0 312.417 2.317 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482681579 1082475740 /nfs/dbraw/zinc/47/57/40/1082475740.db2.gz JWTHMDTXFQTTOB-RDJZCZTQSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001482954844 1082576424 /nfs/dbraw/zinc/57/64/24/1082576424.db2.gz QMBHMWOTAQTLRI-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001276741240 1083582435 /nfs/dbraw/zinc/58/24/35/1083582435.db2.gz RUROXKFZKJRTRV-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1 ZINC001276906284 1083673113 /nfs/dbraw/zinc/67/31/13/1083673113.db2.gz NXLKZECKGKCIGY-KDURUIRLSA-N 2 0 321.509 2.465 20 30 DEEDRP Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(C#N)n(C)c2)cc[nH+]1 ZINC001277064900 1083757460 /nfs/dbraw/zinc/75/74/60/1083757460.db2.gz QZVAYZAZGZOAAD-OALUTQOASA-N 2 0 321.428 2.453 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001277200397 1083844185 /nfs/dbraw/zinc/84/41/85/1083844185.db2.gz IAWYXXLDPZXGLO-CQSZACIVSA-N 2 0 321.490 2.321 20 30 DEEDRP CCCCCCC[NH+]1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277225325 1083854797 /nfs/dbraw/zinc/85/47/97/1083854797.db2.gz SUZBTYRNTALNOP-QGZVFWFLSA-N 2 0 321.509 2.489 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001277447806 1083975444 /nfs/dbraw/zinc/97/54/44/1083975444.db2.gz QZEMNJHPVNCYJI-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP Cn1cc(C[N@@H+]2C[C@@H]3CCN(c4cc[nH+]cc4)[C@@H]3C2)cc1C#N ZINC001277693962 1084097950 /nfs/dbraw/zinc/09/79/50/1084097950.db2.gz NTJAGVDVOTXBSY-MAUKXSAKSA-N 2 0 307.401 2.002 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491189308 1084136602 /nfs/dbraw/zinc/13/66/02/1084136602.db2.gz AVDSWESRMNGEFA-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237192 1084174804 /nfs/dbraw/zinc/17/48/04/1084174804.db2.gz RIGCUBIPMUYMCB-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001491503869 1084353978 /nfs/dbraw/zinc/35/39/78/1084353978.db2.gz LKLNDZRLAMTHKW-CYBMUJFWSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CCN(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C(=O)OCC ZINC001235425463 1084426656 /nfs/dbraw/zinc/42/66/56/1084426656.db2.gz LHQGLVJNHZQJPV-DLBZAZTESA-N 2 0 323.481 2.343 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512791 1084452143 /nfs/dbraw/zinc/45/21/43/1084452143.db2.gz KMJKZZPCDQZXKO-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCCCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236023449 1084591915 /nfs/dbraw/zinc/59/19/15/1084591915.db2.gz QFGNUEMYJBTFPF-HPFXQQBRSA-N 2 0 306.450 2.063 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001078657395 1084785289 /nfs/dbraw/zinc/78/52/89/1084785289.db2.gz WEFOSIYOVORZPW-HOTGVXAUSA-N 2 0 317.477 2.065 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001486175676 1085105719 /nfs/dbraw/zinc/10/57/19/1085105719.db2.gz GDRDXKXDAYCQJG-SJLPKXTDSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC001486233228 1085155234 /nfs/dbraw/zinc/15/52/34/1085155234.db2.gz HGPIIRIBEBELOD-ARFHVFGLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000964034595 1085155296 /nfs/dbraw/zinc/15/52/96/1085155296.db2.gz KSXOYAFVPKLRRI-HVEGKCCWSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000960255521 1085166359 /nfs/dbraw/zinc/16/63/59/1085166359.db2.gz PYBIPLCUSONTIN-KZNAEPCWSA-N 2 0 313.445 2.029 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000964437232 1085227452 /nfs/dbraw/zinc/22/74/52/1085227452.db2.gz NVSAPWIKOUDJIF-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486409479 1085280356 /nfs/dbraw/zinc/28/03/56/1085280356.db2.gz HQKBPKIUFUTPTO-HNNXBMFYSA-N 2 0 309.498 2.108 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001486489930 1085369600 /nfs/dbraw/zinc/36/96/00/1085369600.db2.gz BKHRHTMAHVWHBJ-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001486520240 1085402590 /nfs/dbraw/zinc/40/25/90/1085402590.db2.gz IVSQNRGLCBIPIR-NVXWUHKLSA-N 2 0 305.466 2.041 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCC1 ZINC001273130095 1086296853 /nfs/dbraw/zinc/29/68/53/1086296853.db2.gz YYMZOIAESIAKTA-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001671060167 1086361694 /nfs/dbraw/zinc/36/16/94/1086361694.db2.gz XDZZTFUEJBDCSG-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000963927310 1086600004 /nfs/dbraw/zinc/60/00/04/1086600004.db2.gz RFLQSEQYGNWWTK-LMBQMVEXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619483 1089336201 /nfs/dbraw/zinc/33/62/01/1089336201.db2.gz XDUXMLWPRDRQRS-FVQHAEBGSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476379 1090308688 /nfs/dbraw/zinc/30/86/88/1090308688.db2.gz WAORNWKAMTXAKG-KZNAEPCWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853235 1090476789 /nfs/dbraw/zinc/47/67/89/1090476789.db2.gz YBRVBNYZNRJRIG-KZNAEPCWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084957969 1090546600 /nfs/dbraw/zinc/54/66/00/1090546600.db2.gz HDLAKLGSWLQYFQ-SQNIBIBYSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084963442 1090547223 /nfs/dbraw/zinc/54/72/23/1090547223.db2.gz VHHUBUDXRHUVEP-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276032892 1091130718 /nfs/dbraw/zinc/13/07/18/1091130718.db2.gz QGZCUMNQPWRBCW-NVXWUHKLSA-N 2 0 312.461 2.451 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001274344981 1091195365 /nfs/dbraw/zinc/19/53/65/1091195365.db2.gz KKPNFCCSGYDEMI-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276042035 1091472203 /nfs/dbraw/zinc/47/22/03/1091472203.db2.gz UWANFXHKOICPRS-MSOLQXFVSA-N 2 0 309.498 2.070 20 30 DEEDRP C#Cc1cccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c1 ZINC001276096058 1091545652 /nfs/dbraw/zinc/54/56/52/1091545652.db2.gz BQKHJCUXAMNNSE-UHFFFAOYSA-N 2 0 311.473 2.127 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001276146728 1091597310 /nfs/dbraw/zinc/59/73/10/1091597310.db2.gz JAWABXBEIYLURJ-QZTJIDSGSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775637 1091929086 /nfs/dbraw/zinc/92/90/86/1091929086.db2.gz NOTPFKBURTZYLV-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833293 1091962794 /nfs/dbraw/zinc/96/27/94/1091962794.db2.gz PBQGUEXXDGUEFV-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001275804614 1092160090 /nfs/dbraw/zinc/16/00/90/1092160090.db2.gz GHMBVSBOIBNTLL-SJORKVTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001488689263 1092688517 /nfs/dbraw/zinc/68/85/17/1092688517.db2.gz KVZZWQBIVMJJDT-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001488993087 1092871607 /nfs/dbraw/zinc/87/16/07/1092871607.db2.gz VXVXOPSTKMTYJP-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001495320218 1093159649 /nfs/dbraw/zinc/15/96/49/1093159649.db2.gz JOSUHCSDIJESOL-APWZRJJASA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001490803299 1093610027 /nfs/dbraw/zinc/61/00/27/1093610027.db2.gz DCTSLPBAFTWQRZ-YESZJQIVSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CCN(Cc2oc(C)nc2C)CC1 ZINC001236593232 1138379326 /nfs/dbraw/zinc/37/93/26/1138379326.db2.gz ADRCMHXORVYJAO-UHFFFAOYSA-N 2 0 318.465 2.083 20 30 DEEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236934663 1138461887 /nfs/dbraw/zinc/46/18/87/1138461887.db2.gz XXPXKZCXIZMJRU-MRXNPFEDSA-N 2 0 320.868 2.327 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)c(C#N)c1 ZINC001238194439 1138834125 /nfs/dbraw/zinc/83/41/25/1138834125.db2.gz NKGYYHMUNZFVQN-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP N#Cc1cc(-c2ccc(N3CC[NH2+]CC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240350533 1139343868 /nfs/dbraw/zinc/34/38/68/1139343868.db2.gz DVLRDZYPYCHFEW-UHFFFAOYSA-N 2 0 318.424 2.322 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001297373532 1139864326 /nfs/dbraw/zinc/86/43/26/1139864326.db2.gz XFIHGFUYYBDDKB-UHFFFAOYSA-N 2 0 317.477 2.371 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001318483668 1140345577 /nfs/dbraw/zinc/34/55/77/1140345577.db2.gz GPGUFQVRBQJNKB-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001319617420 1140625710 /nfs/dbraw/zinc/62/57/10/1140625710.db2.gz BLSSTUGLASPNIF-FUHWJXTLSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001319661590 1140648322 /nfs/dbraw/zinc/64/83/22/1140648322.db2.gz CQLTYAHDHSFUEB-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001319693332 1140665444 /nfs/dbraw/zinc/66/54/44/1140665444.db2.gz BPQFVBIJBXWIGP-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001319918472 1140803522 /nfs/dbraw/zinc/80/35/22/1140803522.db2.gz PJPKSAXGSQYFPK-SJORKVTESA-N 2 0 307.482 2.310 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCN1CC[NH2+]CC1 ZINC001245983282 1140841399 /nfs/dbraw/zinc/84/13/99/1140841399.db2.gz UWYUAIRDTZNRLP-GOSISDBHSA-N 2 0 313.530 2.373 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@H]1O ZINC001245990662 1140842944 /nfs/dbraw/zinc/84/29/44/1140842944.db2.gz BNPBYRXTGGSWDP-RCCFBDPRSA-N 2 0 314.514 2.438 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001278432662 1140864638 /nfs/dbraw/zinc/86/46/38/1140864638.db2.gz GSJLJRIOXITBJO-WMLDXEAASA-N 2 0 304.438 2.135 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246304702 1140882779 /nfs/dbraw/zinc/88/27/79/1140882779.db2.gz LBHDQJFERQULHO-HUUCEWRRSA-N 2 0 317.433 2.345 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278449692 1140915497 /nfs/dbraw/zinc/91/54/97/1140915497.db2.gz HAZSONCIHCYFSA-GOSISDBHSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246719894 1141043777 /nfs/dbraw/zinc/04/37/77/1141043777.db2.gz HMXUCLXOFYRCTE-WNRNVDISSA-N 2 0 308.466 2.201 20 30 DEEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)c1sccc1C[NH+](C)C ZINC001321085596 1141049984 /nfs/dbraw/zinc/04/99/84/1141049984.db2.gz YJZIJJWIHUFBBM-AATRIKPKSA-N 2 0 307.463 2.261 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001321652278 1141322211 /nfs/dbraw/zinc/32/22/11/1141322211.db2.gz GKMYCUWHIGJBIV-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001322368355 1141542893 /nfs/dbraw/zinc/54/28/93/1141542893.db2.gz BCQRYBVDHDIVCR-IRXDYDNUSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001322662321 1141671123 /nfs/dbraw/zinc/67/11/23/1141671123.db2.gz OCVHFHZKSGOYRD-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001323114723 1141814079 /nfs/dbraw/zinc/81/40/79/1141814079.db2.gz UPWSFDDYODIOBT-IRXDYDNUSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC)CC1 ZINC001324397177 1142068835 /nfs/dbraw/zinc/06/88/35/1142068835.db2.gz VPLXPZHMZDFPFN-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001324397729 1142070684 /nfs/dbraw/zinc/07/06/84/1142070684.db2.gz YFKRLNPKQTWVMF-FUHWJXTLSA-N 2 0 321.509 2.299 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]([NH3+])C(C)(C)C1)C(C)C ZINC001336755951 1142560549 /nfs/dbraw/zinc/56/05/49/1142560549.db2.gz KSYDAVHBBDMPDO-CVEARBPZSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC001252496200 1142735233 /nfs/dbraw/zinc/73/52/33/1142735233.db2.gz ZCXVJXJPESYNFS-IBGZPJMESA-N 2 0 324.509 2.432 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001340882342 1143480994 /nfs/dbraw/zinc/48/09/94/1143480994.db2.gz XTAYWBDDYOJBGR-SZMVWBNQSA-N 2 0 315.461 2.449 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001263933459 1144426162 /nfs/dbraw/zinc/42/61/62/1144426162.db2.gz ZQFSBZHSNXOZEO-RCCFBDPRSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264446595 1144541791 /nfs/dbraw/zinc/54/17/91/1144541791.db2.gz DSZNKGGEMNVZLA-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001264464282 1144543839 /nfs/dbraw/zinc/54/38/39/1144543839.db2.gz KPJYVTPVGUUDMM-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265306750 1144689346 /nfs/dbraw/zinc/68/93/46/1144689346.db2.gz WSFYHHDQBUVQAP-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001265338791 1144695635 /nfs/dbraw/zinc/69/56/35/1144695635.db2.gz LHGHSMCCUHPGNV-QGZVFWFLSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001265358284 1144698040 /nfs/dbraw/zinc/69/80/40/1144698040.db2.gz GNBNVYDQQHJUSX-AWEZNQCLSA-N 2 0 307.463 2.094 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001265390808 1144701711 /nfs/dbraw/zinc/70/17/11/1144701711.db2.gz OBBONSHDBHECMF-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001265396923 1144702027 /nfs/dbraw/zinc/70/20/27/1144702027.db2.gz NUWXQXGCNBUXMH-OAHLLOKOSA-N 2 0 304.438 2.089 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265629891 1144719612 /nfs/dbraw/zinc/71/96/12/1144719612.db2.gz GYFIILSQPWYNKR-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266010440 1144785010 /nfs/dbraw/zinc/78/50/10/1144785010.db2.gz ISYSMUHFQXZCNQ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+](CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001266145550 1144809555 /nfs/dbraw/zinc/80/95/55/1144809555.db2.gz WZOYTOZYPSNPGB-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001266219085 1144815496 /nfs/dbraw/zinc/81/54/96/1144815496.db2.gz VTWJBFVAYIWNLA-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001266219138 1144815574 /nfs/dbraw/zinc/81/55/74/1144815574.db2.gz WEFHKVKMOPMVFZ-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001266240795 1144818216 /nfs/dbraw/zinc/81/82/16/1144818216.db2.gz CSOSVFIHKJQQAZ-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001279265580 1144820009 /nfs/dbraw/zinc/82/00/09/1144820009.db2.gz WSOBWZYQHGSXMV-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001279368520 1144821399 /nfs/dbraw/zinc/82/13/99/1144821399.db2.gz VTVKRUUEFSTNAU-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001279564741 1144824664 /nfs/dbraw/zinc/82/46/64/1144824664.db2.gz IHMXTDYGGUMIIS-GOSISDBHSA-N 2 0 317.477 2.043 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279567202 1144824700 /nfs/dbraw/zinc/82/47/00/1144824700.db2.gz WMLZZGJEIBRZHA-BRWVUGGUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001280427197 1144839112 /nfs/dbraw/zinc/83/91/12/1144839112.db2.gz VXFKDMXOBKDVKO-GOSISDBHSA-N 2 0 315.461 2.187 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001281684656 1144907410 /nfs/dbraw/zinc/90/74/10/1144907410.db2.gz VDELDPLJAUJMPC-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001282810511 1145168607 /nfs/dbraw/zinc/16/86/07/1145168607.db2.gz JQZFBCXYFAQSFG-GJZGRUSLSA-N 2 0 313.461 2.069 20 30 DEEDRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001364384008 1145211139 /nfs/dbraw/zinc/21/11/39/1145211139.db2.gz LSPYQWLHGNYOSU-GOSISDBHSA-N 2 0 301.434 2.255 20 30 DEEDRP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001283307344 1145354878 /nfs/dbraw/zinc/35/48/78/1145354878.db2.gz NBRLKRJPQSHZMU-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+][C@H](CCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001283463054 1145446016 /nfs/dbraw/zinc/44/60/16/1145446016.db2.gz MRTDANITRKXZSU-GOSISDBHSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001283999037 1145743396 /nfs/dbraw/zinc/74/33/96/1145743396.db2.gz YZUDMCXVXBDUAS-UKRRQHHQSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]21 ZINC001284095751 1145796614 /nfs/dbraw/zinc/79/66/14/1145796614.db2.gz JGJOKPMHQZNKIP-HYVNUMGLSA-N 2 0 316.449 2.135 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001284104938 1145800098 /nfs/dbraw/zinc/80/00/98/1145800098.db2.gz ZXIRSEKEZLFZOL-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H]1C ZINC001284130213 1145804697 /nfs/dbraw/zinc/80/46/97/1145804697.db2.gz GUCRGMQPMLTMDS-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001284699330 1145892074 /nfs/dbraw/zinc/89/20/74/1145892074.db2.gz DOPUKCLQJHEALP-MRXNPFEDSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001284722990 1145895393 /nfs/dbraw/zinc/89/53/93/1145895393.db2.gz GRWPJUQHSAATGH-DOTOQJQBSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491809701 1146928975 /nfs/dbraw/zinc/92/89/75/1146928975.db2.gz ZCSITBXBTQJYNG-AWEZNQCLSA-N 2 0 321.490 2.438 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001492165542 1147108856 /nfs/dbraw/zinc/10/88/56/1147108856.db2.gz XAOGUOIOZSIFQW-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001316910526 1147572388 /nfs/dbraw/zinc/57/23/88/1147572388.db2.gz AACZAUWSQLPEPT-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001316935265 1147573647 /nfs/dbraw/zinc/57/36/47/1147573647.db2.gz GTLCNTWPVJNJPG-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994389 1147645679 /nfs/dbraw/zinc/64/56/79/1147645679.db2.gz HXZBBHKOQPIFEO-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001316998235 1147646721 /nfs/dbraw/zinc/64/67/21/1147646721.db2.gz KLINSAUDLNSJFL-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001317022978 1147649341 /nfs/dbraw/zinc/64/93/41/1147649341.db2.gz WGIPIXBJGSIJES-KRWDZBQOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317149502 1147666850 /nfs/dbraw/zinc/66/68/50/1147666850.db2.gz IYOUIPVOUKUZJU-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317159511 1147668239 /nfs/dbraw/zinc/66/82/39/1147668239.db2.gz HGHSLOXTRAVQDF-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001317171430 1147670478 /nfs/dbraw/zinc/67/04/78/1147670478.db2.gz AVHNEQTYBRWIFP-CVEARBPZSA-N 2 0 313.461 2.213 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204299 1147676059 /nfs/dbraw/zinc/67/60/59/1147676059.db2.gz MGFLFQWUKNYBHP-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001317218487 1147678912 /nfs/dbraw/zinc/67/89/12/1147678912.db2.gz SVXNGRZCAVGZCP-UHFFFAOYSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317383911 1147700042 /nfs/dbraw/zinc/70/00/42/1147700042.db2.gz IPMIJACBIQZHFA-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)C(C)C ZINC001317701567 1147745464 /nfs/dbraw/zinc/74/54/64/1147745464.db2.gz CXNCNSKZORGZAV-UHFFFAOYSA-N 2 0 309.498 2.204 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001318077122 1147768074 /nfs/dbraw/zinc/76/80/74/1147768074.db2.gz HVNVRUIFSVSVAK-OAHLLOKOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001325418792 1147905537 /nfs/dbraw/zinc/90/55/37/1147905537.db2.gz SCYNBNWVJQWHQU-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001325437465 1147909467 /nfs/dbraw/zinc/90/94/67/1147909467.db2.gz LPACNZMCGWXVON-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001325945284 1148022568 /nfs/dbraw/zinc/02/25/68/1148022568.db2.gz AQGANXACDGIDKI-WNRNVDISSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001326271757 1148066718 /nfs/dbraw/zinc/06/67/18/1148066718.db2.gz CDKQCJGXQJRWCG-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001326566253 1148147466 /nfs/dbraw/zinc/14/74/66/1148147466.db2.gz HXIYHGLXWPGVEF-IYARVYRRSA-N 2 0 319.493 2.150 20 30 DEEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859274 191241528 /nfs/dbraw/zinc/24/15/28/191241528.db2.gz OTJOAHIFQXQDHO-INIZCTEOSA-N 2 0 314.433 2.160 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000068084844 354795355 /nfs/dbraw/zinc/79/53/55/354795355.db2.gz IRKRZRIJYUVEHY-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687376 355444140 /nfs/dbraw/zinc/44/41/40/355444140.db2.gz WDNMEJZHHHJJGL-DOTOQJQBSA-N 2 0 305.466 2.018 20 30 DEEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)N[C@H]1CCOc2ccccc21 ZINC000083031560 355462513 /nfs/dbraw/zinc/46/25/13/355462513.db2.gz VEWWQSXYJXTPRU-INIZCTEOSA-N 2 0 316.449 2.291 20 30 DEEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423195220 283192388 /nfs/dbraw/zinc/19/23/88/283192388.db2.gz YXMGDLJWCUKJQM-LJQANCHMSA-N 2 0 312.461 2.211 20 30 DEEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000598597677 359255153 /nfs/dbraw/zinc/25/51/53/359255153.db2.gz SURCOLRBPSJTRF-PVAVHDDUSA-N 2 0 305.466 2.236 20 30 DEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598724294 359306179 /nfs/dbraw/zinc/30/61/79/359306179.db2.gz NTXDSYJMGBDXAA-QZTJIDSGSA-N 2 0 315.461 2.399 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000601317370 360005407 /nfs/dbraw/zinc/00/54/07/360005407.db2.gz BHSOSMDWCKDVHD-KRWDZBQOSA-N 2 0 322.497 2.199 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602588002 360446469 /nfs/dbraw/zinc/44/64/69/360446469.db2.gz KZKSYJGUMLQPSR-HZPDHXFCSA-N 2 0 311.470 2.032 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](C)CCC#N)CC2)CC1 ZINC000602486059 360402717 /nfs/dbraw/zinc/40/27/17/360402717.db2.gz UUBIRZBOJBRJSL-QGZVFWFLSA-N 2 0 306.498 2.417 20 30 DEEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000262007234 533634235 /nfs/dbraw/zinc/63/42/35/533634235.db2.gz RXGWIRCRDGZELA-OAHLLOKOSA-N 2 0 324.538 2.395 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000349038486 146343228 /nfs/dbraw/zinc/34/32/28/146343228.db2.gz SFKGZIZCGYKBBB-LJQANCHMSA-N 2 0 314.477 2.406 20 30 DEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCSCC#N)CC1 ZINC000074989810 401746411 /nfs/dbraw/zinc/74/64/11/401746411.db2.gz OLCWJQVOGHVQGP-CALCHBBNSA-N 2 0 324.538 2.124 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000112914940 401761693 /nfs/dbraw/zinc/76/16/93/401761693.db2.gz UHSQEGUEJLLVML-GOSISDBHSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000106290802 402212403 /nfs/dbraw/zinc/21/24/03/402212403.db2.gz XZQBENAMJQMORU-XHSDSOJGSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158720022 402310768 /nfs/dbraw/zinc/31/07/68/402310768.db2.gz CVPUBASYSCRNPF-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000189405532 402536153 /nfs/dbraw/zinc/53/61/53/402536153.db2.gz GSMIIAIOPXFURV-UHFFFAOYSA-N 2 0 310.486 2.010 20 30 DEEDRP Cn1cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1C#N ZINC000190790311 402623368 /nfs/dbraw/zinc/62/33/68/402623368.db2.gz CFPMTVBLSYWDIQ-UHFFFAOYSA-N 2 0 324.428 2.019 20 30 DEEDRP C[NH+]=C(NCc1cccn1C)NC1CC[NH+](C2CCCC2)CC1 ZINC000262815896 402733747 /nfs/dbraw/zinc/73/37/47/402733747.db2.gz WMNYMFCSRYHQGZ-UHFFFAOYSA-N 2 0 317.481 2.097 20 30 DEEDRP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)CN1CC[NH+](C)CC1 ZINC000271952623 402887416 /nfs/dbraw/zinc/88/74/16/402887416.db2.gz OVXNMWLVNWXACM-HUUCEWRRSA-N 2 0 318.440 2.231 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000342766489 403341786 /nfs/dbraw/zinc/34/17/86/403341786.db2.gz VLMBJAUKKFIHEB-BRWVUGGUSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000417059880 405023476 /nfs/dbraw/zinc/02/34/76/405023476.db2.gz IXWMQLVAMBWAQW-BRWVUGGUSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361226921 404982921 /nfs/dbraw/zinc/98/29/21/404982921.db2.gz DFQCPNHLSDAQFU-PKOBYXMFSA-N 2 0 323.525 2.363 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CCC)CC[NH+]2CCCCC2)CC1 ZINC000491095962 406527608 /nfs/dbraw/zinc/52/76/08/406527608.db2.gz OBLIHPNJMHWNIQ-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH+]2CCCCCC2)CC1 ZINC000491142886 406532452 /nfs/dbraw/zinc/53/24/52/406532452.db2.gz DKIYLZJUWUQWQL-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000491523826 406610578 /nfs/dbraw/zinc/61/05/78/406610578.db2.gz HNQYFCLTPQPZKP-CVEARBPZSA-N 2 0 302.397 2.098 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000193059031 225149581 /nfs/dbraw/zinc/14/95/81/225149581.db2.gz ZHHXUHYIFQROEB-ZBFHGGJFSA-N 2 0 302.422 2.194 20 30 DEEDRP CN(C)C(=[NH+]CC1([NH+]2CCSCC2)CCCCC1)N(C)C ZINC000262516764 225276002 /nfs/dbraw/zinc/27/60/02/225276002.db2.gz GQIAQERWSGFMOC-UHFFFAOYSA-N 2 0 312.527 2.217 20 30 DEEDRP C=CC[C@]1(C(=O)NCC2([NH+](C)C)CCCCCC2)CCC[NH2+]1 ZINC000662667384 425707740 /nfs/dbraw/zinc/70/77/40/425707740.db2.gz ZBJRBVCSNCTYRS-GOSISDBHSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662680851 425710208 /nfs/dbraw/zinc/71/02/08/425710208.db2.gz MFOXLTUHICKJGP-SFHVURJKSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCC[NH2+]1 ZINC000662678860 425710821 /nfs/dbraw/zinc/71/08/21/425710821.db2.gz JBIJJQWIDFNHDQ-GDBMZVCRSA-N 2 0 307.463 2.165 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353391861 276199593 /nfs/dbraw/zinc/19/95/93/276199593.db2.gz YQWZLQNNEJHPKJ-BEFAXECRSA-N 2 0 312.461 2.161 20 30 DEEDRP C=C(C)COCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987865 276864049 /nfs/dbraw/zinc/86/40/49/276864049.db2.gz HOLXUKSFERQLEJ-AEFFLSMTSA-N 2 0 302.418 2.425 20 30 DEEDRP C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000329160742 289232147 /nfs/dbraw/zinc/23/21/47/289232147.db2.gz FJBWVTMDQMHUPV-CVEARBPZSA-N 2 0 311.470 2.054 20 30 DEEDRP C#CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330245866 1149079632 /nfs/dbraw/zinc/07/96/32/1149079632.db2.gz YKIGQRIKKSGJCA-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001378930296 1152495025 /nfs/dbraw/zinc/49/50/25/1152495025.db2.gz WJOGQRZEQUFGJD-HIFRSBDPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001327491517 1148567741 /nfs/dbraw/zinc/56/77/41/1148567741.db2.gz CUYKJXIRAOIRHI-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001327491518 1148568006 /nfs/dbraw/zinc/56/80/06/1148568006.db2.gz CUYKJXIRAOIRHI-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261762525 526371171 /nfs/dbraw/zinc/37/11/71/526371171.db2.gz NEMMHPAJDAMXMA-GOEBONIOSA-N 2 0 324.538 2.120 20 30 DEEDRP C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@H]1CC[N@H+](C)C1 ZINC000262490469 526380760 /nfs/dbraw/zinc/38/07/60/526380760.db2.gz UQULVGDQPBRXQR-GFCCVEGCSA-N 2 0 324.469 2.164 20 30 DEEDRP C[NH+]=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC1CC1 ZINC000264039206 526382417 /nfs/dbraw/zinc/38/24/17/526382417.db2.gz HWQUZWPRXVNFLZ-UHFFFAOYSA-N 2 0 300.450 2.500 20 30 DEEDRP C=CC[NH+]1CCC(NC(N[C@@H]2C[C@](C)(OC)C2(C)C)=[NH+]C)CC1 ZINC000262452885 526414999 /nfs/dbraw/zinc/41/49/99/526414999.db2.gz WHGDDLIULJJCBY-QAPCUYQASA-N 2 0 322.497 2.005 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000267849491 527713314 /nfs/dbraw/zinc/71/33/14/527713314.db2.gz KWFGXMMHFVPEFB-KRWDZBQOSA-N 2 0 318.465 2.259 20 30 DEEDRP CC[NH+]=C(NC[C@@H](C)[N@H+](C)C1CC1)N1CCc2ccccc21 ZINC000263241335 528809496 /nfs/dbraw/zinc/80/94/96/528809496.db2.gz LHFSHIPHOSYMJP-CQSZACIVSA-N 2 0 300.450 2.497 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261899602 529073512 /nfs/dbraw/zinc/07/35/12/529073512.db2.gz WJQPGYYNJKUZII-QWHCGFSZSA-N 2 0 302.413 2.201 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C(C)(C)C)cs1 ZINC000267393857 529073573 /nfs/dbraw/zinc/07/35/73/529073573.db2.gz DNLHJWSNWFHZGB-GFCCVEGCSA-N 2 0 323.510 2.329 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCC1(F)F ZINC000263025731 529100498 /nfs/dbraw/zinc/10/04/98/529100498.db2.gz AORJJXLOLYARNL-STQMWFEESA-N 2 0 302.413 2.201 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)c1 ZINC000267277060 529176445 /nfs/dbraw/zinc/17/64/45/529176445.db2.gz GBRNCTKCOBYEOO-UHFFFAOYSA-N 2 0 317.481 2.002 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]12 ZINC001026304919 625282836 /nfs/dbraw/zinc/28/28/36/625282836.db2.gz RUYQATNNHSGHAT-BPQIPLTHSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023467918 625284066 /nfs/dbraw/zinc/28/40/66/625284066.db2.gz DVWWLPACLWGMIF-HNNXBMFYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]12 ZINC001026391103 625401016 /nfs/dbraw/zinc/40/10/16/625401016.db2.gz BRVBETZBSUAIJR-FGTMMUONSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008280147 625420207 /nfs/dbraw/zinc/42/02/07/625420207.db2.gz RURVPSANTWIUCT-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486949 625478499 /nfs/dbraw/zinc/47/84/99/625478499.db2.gz YOFLHRCVBGMBPU-CVEARBPZSA-N 2 0 324.428 2.188 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486834 625478683 /nfs/dbraw/zinc/47/86/83/625478683.db2.gz XOUMGKLIJKURNF-HOTGVXAUSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001026518945 625495503 /nfs/dbraw/zinc/49/55/03/625495503.db2.gz RHOPXXISXJONSI-UHFFFAOYSA-N 2 0 312.417 2.459 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969832321 622942427 /nfs/dbraw/zinc/94/24/27/622942427.db2.gz GKIPBJXHQLXQDB-YOEHRIQHSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970028726 623063429 /nfs/dbraw/zinc/06/34/29/623063429.db2.gz WKOZVMRMKVWIQJ-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020927285 623191821 /nfs/dbraw/zinc/19/18/21/623191821.db2.gz KWBCOUCJIPSCFL-ZQDZILKHSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970384329 623433043 /nfs/dbraw/zinc/43/30/43/623433043.db2.gz CZLXZORSPQQIOJ-OAHLLOKOSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971683051 624505005 /nfs/dbraw/zinc/50/50/05/624505005.db2.gz SCFIMMKSOCNGDM-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763162 634398849 /nfs/dbraw/zinc/39/88/49/634398849.db2.gz LUQDQBPMTJXSPF-YMAMQOFZSA-N 2 0 313.873 2.191 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972551429 625231010 /nfs/dbraw/zinc/23/10/10/625231010.db2.gz JSXURQNNKCCZFW-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142531 634492685 /nfs/dbraw/zinc/49/26/85/634492685.db2.gz AWXLNQUXOOCVBD-GJZGRUSLSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999972526 634711844 /nfs/dbraw/zinc/71/18/44/634711844.db2.gz GHLJGOQWKBCBIL-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000260185 634829158 /nfs/dbraw/zinc/82/91/58/634829158.db2.gz KWGCFTZYHAXPAQ-DOTOQJQBSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000995919503 633139215 /nfs/dbraw/zinc/13/92/15/633139215.db2.gz RMLARZWKCVKETQ-DLBZAZTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C ZINC000996042795 633175391 /nfs/dbraw/zinc/17/53/91/633175391.db2.gz MTUMTIKQEPRVHP-INIZCTEOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000996474655 633264938 /nfs/dbraw/zinc/26/49/38/633264938.db2.gz DFJFMCUOSGGIOK-MRXNPFEDSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974769677 633295436 /nfs/dbraw/zinc/29/54/36/633295436.db2.gz AKMKUZWXJWKZCC-INIZCTEOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009049183 633496986 /nfs/dbraw/zinc/49/69/86/633496986.db2.gz HHRUVRCULJGBPE-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997204137 633674904 /nfs/dbraw/zinc/67/49/04/633674904.db2.gz WLQHDFUYXYOEJK-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000997366887 633717597 /nfs/dbraw/zinc/71/75/97/633717597.db2.gz OZMJAWSSESFYLY-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027436755 633783588 /nfs/dbraw/zinc/78/35/88/633783588.db2.gz FIIRJNIWDIJUGM-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980083307 634845245 /nfs/dbraw/zinc/84/52/45/634845245.db2.gz IAKNKFHORXOGHA-YESZJQIVSA-N 2 0 317.477 2.018 20 30 DEEDRP CC#CCN1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913947 634956010 /nfs/dbraw/zinc/95/60/10/634956010.db2.gz QBLPMCBPLPLOPY-HNNXBMFYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001027929284 634990747 /nfs/dbraw/zinc/99/07/47/634990747.db2.gz DCOXINGHTQFHJA-HOTGVXAUSA-N 2 0 316.449 2.307 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000981091785 635304648 /nfs/dbraw/zinc/30/46/48/635304648.db2.gz QSKOFJBDIJSVPS-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001000851852 635328533 /nfs/dbraw/zinc/32/85/33/635328533.db2.gz PEROKGVMOCYOLQ-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981153414 635334204 /nfs/dbraw/zinc/33/42/04/635334204.db2.gz ZRYVJMVLFMCRIY-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000981283571 635421666 /nfs/dbraw/zinc/42/16/66/635421666.db2.gz XVADCYHEKWYBBC-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981325048 635440029 /nfs/dbraw/zinc/44/00/29/635440029.db2.gz ZNLGSEUIOLYNSO-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098618 635514235 /nfs/dbraw/zinc/51/42/35/635514235.db2.gz SWAYQYVKWPKNAC-KKUMJFAQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981821833 635667573 /nfs/dbraw/zinc/66/75/73/635667573.db2.gz DMJHTSDJSGZISF-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002813018 635804626 /nfs/dbraw/zinc/80/46/26/635804626.db2.gz VWUWNYMBZGBOQZ-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162281 635889498 /nfs/dbraw/zinc/88/94/98/635889498.db2.gz LXOWNRHYULADCA-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028252131 635960808 /nfs/dbraw/zinc/96/08/08/635960808.db2.gz QWAHIEWPCJRSDC-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028253775 635964164 /nfs/dbraw/zinc/96/41/64/635964164.db2.gz GQELXILDLQMQRW-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003424587 635965463 /nfs/dbraw/zinc/96/54/63/635965463.db2.gz TUTWDPBEMQGLDJ-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003941431 636090018 /nfs/dbraw/zinc/09/00/18/636090018.db2.gz ZUXZGMBSHNLTHY-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000922389641 636146962 /nfs/dbraw/zinc/14/69/62/636146962.db2.gz VHSGNCRGIACEQZ-MKXGPGLRSA-N 2 0 313.445 2.128 20 30 DEEDRP 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 636623679 /nfs/dbraw/zinc/62/36/79/636623679.db2.gz XPDQYLQKRAJMAD-FGTMMUONSA-N 2 0 321.509 2.319 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]C(C)C)CC1 ZINC001005006836 636632602 /nfs/dbraw/zinc/63/26/02/636632602.db2.gz ZTEZZRRCJMBKDM-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C#Cc1ccc(C[NH2+]C2CCN(CCCC(=O)OC)CC2)cc1 ZINC000894874319 637280993 /nfs/dbraw/zinc/28/09/93/637280993.db2.gz UGJUJJZVDMUEAH-UHFFFAOYSA-N 2 0 314.429 2.175 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006232998 637289279 /nfs/dbraw/zinc/28/92/79/637289279.db2.gz SMNLROCCQQYFQM-UHFFFAOYSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000985538979 639474915 /nfs/dbraw/zinc/47/49/15/639474915.db2.gz YTNIKIICPIHBQP-UHFFFAOYSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000986954853 640024829 /nfs/dbraw/zinc/02/48/29/640024829.db2.gz DYBSPJIALHSTTN-CRAIPNDOSA-N 2 0 315.461 2.169 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000987592111 640230763 /nfs/dbraw/zinc/23/07/63/640230763.db2.gz YKITTWQKOPBZPE-HOCLYGCPSA-N 2 0 319.449 2.500 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000763970956 640591225 /nfs/dbraw/zinc/59/12/25/640591225.db2.gz JRYKDCYATDYLOS-QGZVFWFLSA-N 2 0 303.450 2.086 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000764439333 640635731 /nfs/dbraw/zinc/63/57/31/640635731.db2.gz VASJIZNPQFRYPE-UHFFFAOYSA-N 2 0 301.434 2.381 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000764470622 640641195 /nfs/dbraw/zinc/64/11/95/640641195.db2.gz JIKVUBASLGQVCJ-UHFFFAOYSA-N 2 0 316.449 2.249 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990683077 641600177 /nfs/dbraw/zinc/60/01/77/641600177.db2.gz IVEQVLQAJWDPAL-JENIJYKNSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767723 641985431 /nfs/dbraw/zinc/98/54/31/641985431.db2.gz YOKTUTODHXFHPN-FAJBIJEISA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990767763 641986503 /nfs/dbraw/zinc/98/65/03/641986503.db2.gz YRSXSSAAQXMOLQ-KONPQCLYSA-N 2 0 305.466 2.016 20 30 DEEDRP N#Cc1ccc(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903505827 643367001 /nfs/dbraw/zinc/36/70/01/643367001.db2.gz IJLYAGVQIZRZQK-BGYRXZFFSA-N 2 0 324.472 2.001 20 30 DEEDRP C=CC[N@H+](CCc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725863 643440938 /nfs/dbraw/zinc/44/09/38/643440938.db2.gz INAATVUHDVCHIO-MOPGFXCFSA-N 2 0 300.446 2.486 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992189915 646894992 /nfs/dbraw/zinc/89/49/92/646894992.db2.gz OASKIXOGXLOGQU-LZLYRXPVSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC000992779700 647243299 /nfs/dbraw/zinc/24/32/99/647243299.db2.gz RKJXSHVIQAAFGV-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000732136543 647544701 /nfs/dbraw/zinc/54/47/01/647544701.db2.gz PWZXTDLKBZRGEN-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000818981707 647556928 /nfs/dbraw/zinc/55/69/28/647556928.db2.gz XCYGPCWATKQFRY-GOSISDBHSA-N 2 0 301.434 2.302 20 30 DEEDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819107574 647584767 /nfs/dbraw/zinc/58/47/67/647584767.db2.gz ZWSMCWXMNUHWSH-SFHVURJKSA-N 2 0 301.434 2.303 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994134662 647791756 /nfs/dbraw/zinc/79/17/56/647791756.db2.gz PORDLELOVZQWKD-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994253236 647861691 /nfs/dbraw/zinc/86/16/91/647861691.db2.gz NDXHQIWMRPITEM-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167360 649013964 /nfs/dbraw/zinc/01/39/64/649013964.db2.gz VAHMJCNBQRUPIM-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941237024 649029243 /nfs/dbraw/zinc/02/92/43/649029243.db2.gz GBWLYYFXANOLRD-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372257 649097085 /nfs/dbraw/zinc/09/70/85/649097085.db2.gz AMYYYNQNGGFRAV-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942054567 649145763 /nfs/dbraw/zinc/14/57/63/649145763.db2.gz XLVZUMUUJQXHJT-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C[NH+]=C(NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)NC1CC1 ZINC000848998755 651576539 /nfs/dbraw/zinc/57/65/39/651576539.db2.gz RBPWLWFNKRDAGZ-KRWDZBQOSA-N 2 0 300.450 2.459 20 30 DEEDRP C[N@@H+]1CC[C@@](O)(C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849019098 651584911 /nfs/dbraw/zinc/58/49/11/651584911.db2.gz IGYXXOCZGKFYLB-GOSISDBHSA-N 2 0 316.449 2.007 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C=C1CC[NH2+]CC1)C(C)C ZINC000852859228 652471386 /nfs/dbraw/zinc/47/13/86/652471386.db2.gz PSHNBUXRBJYOEB-KRWDZBQOSA-N 2 0 305.466 2.111 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCCCSC ZINC000305841234 685302811 /nfs/dbraw/zinc/30/28/11/685302811.db2.gz ZGIULIWNBLULEO-CQSZACIVSA-N 2 0 300.516 2.298 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054135302 693858709 /nfs/dbraw/zinc/85/87/09/693858709.db2.gz ZAFGTHCJUJVKQP-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054145002 693862537 /nfs/dbraw/zinc/86/25/37/693862537.db2.gz HIPHICCYRSNQEX-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054184836 693874086 /nfs/dbraw/zinc/87/40/86/693874086.db2.gz MTAPRZDHGCFRDS-JENIJYKNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054198529 693879312 /nfs/dbraw/zinc/87/93/12/693879312.db2.gz ZEDIIAHDFVRSTN-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054227127 693891645 /nfs/dbraw/zinc/89/16/45/693891645.db2.gz DTGDTKDKWYUESX-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291988 693917000 /nfs/dbraw/zinc/91/70/00/693917000.db2.gz NVNQCRYLFFCPMJ-QGZVFWFLSA-N 2 0 313.445 2.146 20 30 DEEDRP CCC[N@@H+]1CC[C@@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303876766 685236960 /nfs/dbraw/zinc/23/69/60/685236960.db2.gz IJBWOYZKRIEGNP-KRWDZBQOSA-N 2 0 302.466 2.426 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001054863711 694061533 /nfs/dbraw/zinc/06/15/33/694061533.db2.gz VXESHKOJUQOOGR-NHYWBVRUSA-N 2 0 318.808 2.137 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001054929410 694074058 /nfs/dbraw/zinc/07/40/58/694074058.db2.gz FZUJYWBACPODNJ-QAPCUYQASA-N 2 0 315.461 2.027 20 30 DEEDRP CCCCCCCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710269 687661608 /nfs/dbraw/zinc/66/16/08/687661608.db2.gz XCOYVMYFJWBFFC-XHSDSOJGSA-N 2 0 309.454 2.214 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016830544 687713086 /nfs/dbraw/zinc/71/30/86/687713086.db2.gz SCNNKNKXECMQNS-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017790567 687962442 /nfs/dbraw/zinc/96/24/42/687962442.db2.gz HQRAMMCUXAYFSY-IYBDPMFKSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541658 688541221 /nfs/dbraw/zinc/54/12/21/688541221.db2.gz CWLHTHYFXVUKMF-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032095011 689061929 /nfs/dbraw/zinc/06/19/29/689061929.db2.gz RWJMURQHNLHEIF-UHFFFAOYSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033878429 689647848 /nfs/dbraw/zinc/64/78/48/689647848.db2.gz KULOYWPSTVUIJQ-KRWDZBQOSA-N 2 0 324.428 2.202 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001034427478 689846183 /nfs/dbraw/zinc/84/61/83/689846183.db2.gz YIUYRCXLFAJXDH-MRXNPFEDSA-N 2 0 316.449 2.001 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034475901 689865332 /nfs/dbraw/zinc/86/53/32/689865332.db2.gz XWFGAXUCQQXTDW-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001034670935 689923580 /nfs/dbraw/zinc/92/35/80/689923580.db2.gz FUGZBBXOZVKKIV-WKILWMFISA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001034748782 689939714 /nfs/dbraw/zinc/93/97/14/689939714.db2.gz CPUZJUNYDDWYMY-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCC2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000877200916 690043602 /nfs/dbraw/zinc/04/36/02/690043602.db2.gz RPROYZMLKAFQKN-SFHVURJKSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000877221488 690049226 /nfs/dbraw/zinc/04/92/26/690049226.db2.gz PUCNOKGUDUIUDJ-HOTGVXAUSA-N 2 0 321.852 2.155 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035742513 690165941 /nfs/dbraw/zinc/16/59/41/690165941.db2.gz ZIDDGGIHRMVJAN-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035778221 690173568 /nfs/dbraw/zinc/17/35/68/690173568.db2.gz HLTLNHXIBJKSLB-UHFFFAOYSA-N 2 0 317.433 2.065 20 30 DEEDRP COCC[N@@H+](Cc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC000877664635 690182783 /nfs/dbraw/zinc/18/27/83/690182783.db2.gz SHHVTNUVGBUFPO-UHFFFAOYSA-N 2 0 301.434 2.348 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001036027445 690238935 /nfs/dbraw/zinc/23/89/35/690238935.db2.gz BGFSJSRNSGZHIV-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001036300194 690314947 /nfs/dbraw/zinc/31/49/47/690314947.db2.gz AFFDDOWIKLDUMA-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759753 690461789 /nfs/dbraw/zinc/46/17/89/690461789.db2.gz QBUUGULORGKCKH-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C#CC[C@@H]1CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878762015 690493943 /nfs/dbraw/zinc/49/39/43/690493943.db2.gz VRNFNWZVKZBONS-UYAOXDASSA-N 2 0 312.457 2.359 20 30 DEEDRP COCCN(Cc1ccc(F)cc1C#N)CC1CC[NH+](C)CC1 ZINC000879125154 690573106 /nfs/dbraw/zinc/57/31/06/690573106.db2.gz RFCIUTRXKFJOOY-UHFFFAOYSA-N 2 0 319.424 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001037973499 690654203 /nfs/dbraw/zinc/65/42/03/690654203.db2.gz ASSFSAURWRPFHC-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039244339 691066738 /nfs/dbraw/zinc/06/67/38/691066738.db2.gz XRBCWVHIWYIBNH-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039388127 691095354 /nfs/dbraw/zinc/09/53/54/691095354.db2.gz BNJNTCHLBNUCGO-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327433 691230969 /nfs/dbraw/zinc/23/09/69/691230969.db2.gz FQYZQZOHDATSHC-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040542933 691263245 /nfs/dbraw/zinc/26/32/45/691263245.db2.gz GRAFEUBGJMFHBH-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358907 691366465 /nfs/dbraw/zinc/36/64/65/691366465.db2.gz RGHINESMZAACDA-PKOBYXMFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041374294 691368842 /nfs/dbraw/zinc/36/88/42/691368842.db2.gz DOAAOCHQKFOLLO-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041692808 691410652 /nfs/dbraw/zinc/41/06/52/691410652.db2.gz OFHOHJKSVQOSKG-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041844628 691443953 /nfs/dbraw/zinc/44/39/53/691443953.db2.gz BIQHNEFQGFVNGE-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000883186595 691452241 /nfs/dbraw/zinc/45/22/41/691452241.db2.gz VHZSQMIKDHNJIB-CEXWTWQISA-N 2 0 323.525 2.363 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042122414 691514224 /nfs/dbraw/zinc/51/42/24/691514224.db2.gz NHRUOOCBUAHJEX-MAUKXSAKSA-N 2 0 324.428 2.365 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186617 691532091 /nfs/dbraw/zinc/53/20/91/691532091.db2.gz IPQCRJUECCLWAJ-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438923 691981306 /nfs/dbraw/zinc/98/13/06/691981306.db2.gz WZZMULRJCXIRHC-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027095 691986677 /nfs/dbraw/zinc/98/66/77/691986677.db2.gz CBVLCTSWUAOURW-SJORKVTESA-N 2 0 305.466 2.095 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045482594 691987046 /nfs/dbraw/zinc/98/70/46/691987046.db2.gz OMUPZIWZFVWONT-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046315230 692149559 /nfs/dbraw/zinc/14/95/59/692149559.db2.gz IJIOZXWHHJNBDN-AEFFLSMTSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319950 692152245 /nfs/dbraw/zinc/15/22/45/692152245.db2.gz YXKXWIUANBGSMO-VQIMIIECSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046851814 692316798 /nfs/dbraw/zinc/31/67/98/692316798.db2.gz IZHIHHVEOYSHQB-SFHVURJKSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514816 692906816 /nfs/dbraw/zinc/90/68/16/692906816.db2.gz JHCVNUGXQWGHHR-RCCFBDPRSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049523439 692911316 /nfs/dbraw/zinc/91/13/16/692911316.db2.gz XWGNMEZTGBXWRW-IAGOWNOFSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001049560335 692921851 /nfs/dbraw/zinc/92/18/51/692921851.db2.gz XONMCMAGCZMLNT-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566932 692923250 /nfs/dbraw/zinc/92/32/50/692923250.db2.gz HFBNGPJGLFLYLH-IAGOWNOFSA-N 2 0 317.477 2.256 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572761 692926303 /nfs/dbraw/zinc/92/63/03/692926303.db2.gz OFDZTRLFHHZDDU-QZTJIDSGSA-N 2 0 322.412 2.037 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615452 692940514 /nfs/dbraw/zinc/94/05/14/692940514.db2.gz KCSJPADCBROVDI-KSZLIROESA-N 2 0 317.477 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049805365 693006186 /nfs/dbraw/zinc/00/61/86/693006186.db2.gz JNUSHDWLULJUBH-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001050068876 693099037 /nfs/dbraw/zinc/09/90/37/693099037.db2.gz MYUZDSFXLHRQJF-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001050669177 693228272 /nfs/dbraw/zinc/22/82/72/693228272.db2.gz UEBZAXVKBNOCQV-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446939 693537416 /nfs/dbraw/zinc/53/74/16/693537416.db2.gz UCOXSEMWXQWNAV-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052499342 693550080 /nfs/dbraw/zinc/55/00/80/693550080.db2.gz UBABXUXEUZVPGE-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562440 693568981 /nfs/dbraw/zinc/56/89/81/693568981.db2.gz RLMBVFSGIQYSMX-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001479910607 1151166870 /nfs/dbraw/zinc/16/68/70/1151166870.db2.gz DPRNYXYVRHEXAR-HOTGVXAUSA-N 2 0 304.438 2.381 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001357845450 1152343449 /nfs/dbraw/zinc/34/34/49/1152343449.db2.gz DPETZVNADCPHKD-IXDOHACOSA-N 2 0 319.424 2.071 20 30 DEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200611 1153264934 /nfs/dbraw/zinc/26/49/34/1153264934.db2.gz XMDOESCLKZTDMR-JLSDUUJJSA-N 2 0 301.434 2.254 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001394830864 1158806445 /nfs/dbraw/zinc/80/64/45/1158806445.db2.gz DNAKZSBZHKYLJN-CYBMUJFWSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001376936409 1159850568 /nfs/dbraw/zinc/85/05/68/1159850568.db2.gz OUMDSZKRLNQUDU-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001377124780 1159928614 /nfs/dbraw/zinc/92/86/14/1159928614.db2.gz WHROYRPLWHNRLE-UHFFFAOYSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001377524527 1160490011 /nfs/dbraw/zinc/49/00/11/1160490011.db2.gz GNUIYKUCSMOLST-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001398838203 1161118324 /nfs/dbraw/zinc/11/83/24/1161118324.db2.gz GOHLWNSHGFOWSJ-YMAMQOFZSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001401973718 1162203462 /nfs/dbraw/zinc/20/34/62/1162203462.db2.gz LUVVUFQKVUJEFL-UHFFFAOYSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001405969824 1164363222 /nfs/dbraw/zinc/36/32/22/1164363222.db2.gz MIWFHAGTTJKWJU-ZFWWWQNUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001408095814 1165474976 /nfs/dbraw/zinc/47/49/76/1165474976.db2.gz NRBJSONMLJQUND-AWEZNQCLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001418136457 1167433939 /nfs/dbraw/zinc/43/39/39/1167433939.db2.gz FIOYCCIUZNNQDV-HUUCEWRRSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001421765709 1171978779 /nfs/dbraw/zinc/97/87/79/1171978779.db2.gz DZTIJBPDSCADKD-DZGCQCFKSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001422294925 1172462783 /nfs/dbraw/zinc/46/27/83/1172462783.db2.gz XLTWITRZKNSXTE-NRXISQOPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001442138621 1182341471 /nfs/dbraw/zinc/34/14/71/1182341471.db2.gz BAVJVVNOOBLDTD-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001444825517 1183575891 /nfs/dbraw/zinc/57/58/91/1183575891.db2.gz JRKGMNBIGQMPIT-UKRRQHHQSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)CN1CCC[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001446704586 1184516614 /nfs/dbraw/zinc/51/66/14/1184516614.db2.gz ZCXJHMKONNTXGY-GOEBONIOSA-N 2 0 315.889 2.297 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001332321206 1149848968 /nfs/dbraw/zinc/84/89/68/1149848968.db2.gz HXYNNWFJGXDXNL-FUHWJXTLSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001332414519 1149857998 /nfs/dbraw/zinc/85/79/98/1149857998.db2.gz ZQCUOAHCKUOIOO-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106885164 783025735 /nfs/dbraw/zinc/02/57/35/783025735.db2.gz VEOCEQRPUYDZGC-HUUCEWRRSA-N 2 0 316.449 2.021 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179667 776751402 /nfs/dbraw/zinc/75/14/02/776751402.db2.gz OIPLXJISLWSVKS-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466245 777114794 /nfs/dbraw/zinc/11/47/94/777114794.db2.gz IIRCPNNXVSSAIU-QGZVFWFLSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001167700685 777897944 /nfs/dbraw/zinc/89/79/44/777897944.db2.gz SRJZWEKWHJJLEP-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001167705423 777912472 /nfs/dbraw/zinc/91/24/72/777912472.db2.gz KFGJEWYODNWIJT-UHFFFAOYSA-N 2 0 321.509 2.398 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100731935 777973439 /nfs/dbraw/zinc/97/34/39/777973439.db2.gz MFJWENRLRCOYCC-GTPINHCMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104667623 778009091 /nfs/dbraw/zinc/00/90/91/778009091.db2.gz SWDMGZJRARUULV-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682517 778021141 /nfs/dbraw/zinc/02/11/41/778021141.db2.gz UCYOKBAPISLXCG-IAGOWNOFSA-N 2 0 321.509 2.062 20 30 DEEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112522498 778045903 /nfs/dbraw/zinc/04/59/03/778045903.db2.gz BATFZCHMDYKZOR-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686888 778463397 /nfs/dbraw/zinc/46/33/97/778463397.db2.gz YJRKMNUVAXDHDJ-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601521 779373396 /nfs/dbraw/zinc/37/33/96/779373396.db2.gz VZAPGLGLUWNANW-YESZJQIVSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671954 779406219 /nfs/dbraw/zinc/40/62/19/779406219.db2.gz XBOWXIONXVCYKZ-KSZLIROESA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088014144 779635067 /nfs/dbraw/zinc/63/50/67/779635067.db2.gz HSCPLQHBYZMDOX-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001088316581 779939921 /nfs/dbraw/zinc/93/99/21/779939921.db2.gz DLJQLPQHGCGKPH-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336821 779988318 /nfs/dbraw/zinc/98/83/18/779988318.db2.gz NLDUXPFSYSHAHO-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001088340978 779993926 /nfs/dbraw/zinc/99/39/26/779993926.db2.gz UAHZRMPSEMIAAR-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426392 780108893 /nfs/dbraw/zinc/10/88/93/780108893.db2.gz TYYHJTFYUAYCGN-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076161880 781152550 /nfs/dbraw/zinc/15/25/50/781152550.db2.gz VCSYFHPXSBAPKD-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP C#Cc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001144578765 790954534 /nfs/dbraw/zinc/95/45/34/790954534.db2.gz NQCYNFPDBOWNPA-UHFFFAOYSA-N 2 0 311.473 2.127 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904968 783812050 /nfs/dbraw/zinc/81/20/50/783812050.db2.gz WELFRONIBHKHHV-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904967 783812106 /nfs/dbraw/zinc/81/21/06/783812106.db2.gz WELFRONIBHKHHV-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205356 783906008 /nfs/dbraw/zinc/90/60/08/783906008.db2.gz KTKZGLCYBRUNMB-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264157 783914359 /nfs/dbraw/zinc/91/43/59/783914359.db2.gz HHKDFWWRNKQRRI-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688587 783967787 /nfs/dbraw/zinc/96/77/87/783967787.db2.gz NQCXXYIYUUVTER-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374412 783969078 /nfs/dbraw/zinc/96/90/78/783969078.db2.gz BPMPOCJYWKMMKO-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778818 784067369 /nfs/dbraw/zinc/06/73/69/784067369.db2.gz IEXYDOOGEDZXGL-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778639 784067915 /nfs/dbraw/zinc/06/79/15/784067915.db2.gz CZSSHRHYKACQBA-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086377942 784632721 /nfs/dbraw/zinc/63/27/21/784632721.db2.gz NVGNOKGIOCUTIZ-MQMHXKEQSA-N 2 0 307.463 2.094 20 30 DEEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968991001 784683544 /nfs/dbraw/zinc/68/35/44/784683544.db2.gz SZDOUNVJFCBLIP-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086505987 784800246 /nfs/dbraw/zinc/80/02/46/784800246.db2.gz BGRYXWQQEXNSBX-JCNLHEQBSA-N 2 0 301.434 2.032 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007498327 784938161 /nfs/dbraw/zinc/93/81/61/784938161.db2.gz ZVTOJGFGLUOZTD-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008746758 785293225 /nfs/dbraw/zinc/29/32/25/785293225.db2.gz JNVDAMGWQBMJGQ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828752 785558070 /nfs/dbraw/zinc/55/80/70/785558070.db2.gz ZVGDLXMNQYSMJM-BZSNNMDCSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563301 786159232 /nfs/dbraw/zinc/15/92/32/786159232.db2.gz PQOQKJSIGINPLQ-LNLFQRSKSA-N 2 0 319.493 2.123 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113291994 786504834 /nfs/dbraw/zinc/50/48/34/786504834.db2.gz LDPYTKURODYELV-UHFFFAOYSA-N 2 0 309.498 2.443 20 30 DEEDRP 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 787449889 /nfs/dbraw/zinc/44/98/89/787449889.db2.gz MKMQOUZDWPUXGH-NCOADZHNSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097549227 788131203 /nfs/dbraw/zinc/13/12/03/788131203.db2.gz IVJQMCIGQUSBJD-OIISXLGYSA-N 2 0 310.401 2.246 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950641 788236661 /nfs/dbraw/zinc/23/66/61/788236661.db2.gz OYUBHOQHHNIEDT-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973360 788239837 /nfs/dbraw/zinc/23/98/37/788239837.db2.gz KMNNPKBVCCDEAZ-GOEBONIOSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133073546 788268603 /nfs/dbraw/zinc/26/86/03/788268603.db2.gz VTMOZCJHBFPHOY-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001133186407 788311139 /nfs/dbraw/zinc/31/11/39/788311139.db2.gz UOWSBJLQZBPYJE-MSOLQXFVSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133225071 788322424 /nfs/dbraw/zinc/32/24/24/788322424.db2.gz GCUBHZZXWYBKMQ-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134520320 788961555 /nfs/dbraw/zinc/96/15/55/788961555.db2.gz OVQNMSFMAWRGLF-UONOGXRCSA-N 2 0 321.490 2.320 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858392 789116322 /nfs/dbraw/zinc/11/63/22/789116322.db2.gz SAQVTHWLAZAJOK-KBPBESRZSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170816359 789352824 /nfs/dbraw/zinc/35/28/24/789352824.db2.gz DAOVHFVXWHUIBN-RDJZCZTQSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001074684356 791264561 /nfs/dbraw/zinc/26/45/61/791264561.db2.gz RIROQBJPDIFDEH-ULQDDVLXSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCC)CC1 ZINC001146614611 791324723 /nfs/dbraw/zinc/32/47/23/791324723.db2.gz ZATWKJJADDXXMT-IAGOWNOFSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147787885 791624739 /nfs/dbraw/zinc/62/47/39/791624739.db2.gz LETWPZAMENNBKQ-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754585 791800826 /nfs/dbraw/zinc/80/08/26/791800826.db2.gz DBFLQKDBWIOHJJ-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952750 791863504 /nfs/dbraw/zinc/86/35/04/791863504.db2.gz PHPODHTVYUGRHY-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957758 791864071 /nfs/dbraw/zinc/86/40/71/791864071.db2.gz VMERBYMUHLORHW-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875209 791971422 /nfs/dbraw/zinc/97/14/22/791971422.db2.gz ONMNZRGTRKAECD-SCTDSRPQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959622 792004259 /nfs/dbraw/zinc/00/42/59/792004259.db2.gz JPGWUYLEULLWJS-SCTDSRPQSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919188 792159452 /nfs/dbraw/zinc/15/94/52/792159452.db2.gz DQXUJOYTJSSLJC-GDBMZVCRSA-N 2 0 319.449 2.215 20 30 DEEDRP 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 792236270 /nfs/dbraw/zinc/23/62/70/792236270.db2.gz WMXJZJBSOZAIMJ-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100377721 792620000 /nfs/dbraw/zinc/62/00/00/792620000.db2.gz JIWRQYCXYXQAHW-GPANFISMSA-N 2 0 313.461 2.117 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100730763 792817586 /nfs/dbraw/zinc/81/75/86/792817586.db2.gz OAWHDOYSSQUYHG-GTPINHCMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560193 792978650 /nfs/dbraw/zinc/97/86/50/792978650.db2.gz NMTDGZWROCMYTR-SJLPKXTDSA-N 2 0 317.477 2.019 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101284903 793101665 /nfs/dbraw/zinc/10/16/65/793101665.db2.gz DTNCEFBGTPVAKR-APWZRJJASA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001094936087 793479958 /nfs/dbraw/zinc/47/99/58/793479958.db2.gz VPAYKSNAUZAACO-JYJNAYRXSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102190000 793525021 /nfs/dbraw/zinc/52/50/21/793525021.db2.gz MPNMVIRHCXMNKG-NXHRZFHOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102188866 793525634 /nfs/dbraw/zinc/52/56/34/793525634.db2.gz KNHFDXSXUNLWML-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375306 793594281 /nfs/dbraw/zinc/59/42/81/793594281.db2.gz BQPDIDXPWJNMAX-HZPDHXFCSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396737 794072447 /nfs/dbraw/zinc/07/24/47/794072447.db2.gz HNXDUSHAIAEDHQ-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398542 794073269 /nfs/dbraw/zinc/07/32/69/794073269.db2.gz XOCVMNQIWGSXNO-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164324 794375559 /nfs/dbraw/zinc/37/55/59/794375559.db2.gz AJNNXBGJODDVCJ-HUUCEWRRSA-N 2 0 315.889 2.345 20 30 DEEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111869892 794507069 /nfs/dbraw/zinc/50/70/69/794507069.db2.gz OZVKGJKHSBMTTC-LNLFQRSKSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](C)C ZINC001177415518 794665653 /nfs/dbraw/zinc/66/56/53/794665653.db2.gz APCULVPSQUNBNS-SFHVURJKSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177462927 794671351 /nfs/dbraw/zinc/67/13/51/794671351.db2.gz GKOATGCEROGVNU-UHFFFAOYSA-N 2 0 319.493 2.267 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+](CC)CC ZINC001177445889 794678234 /nfs/dbraw/zinc/67/82/34/794678234.db2.gz RUWBSFMYQLJVEF-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143626 794689424 /nfs/dbraw/zinc/68/94/24/794689424.db2.gz IGPRMOYYXPLVMX-CBZIJGRNSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178926455 795023669 /nfs/dbraw/zinc/02/36/69/795023669.db2.gz XCWNSHCUEAECPQ-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001179745609 795170722 /nfs/dbraw/zinc/17/07/22/795170722.db2.gz DPVKEWUOXWOBRV-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120402880 795453353 /nfs/dbraw/zinc/45/33/53/795453353.db2.gz SUIZCZYWNGWHJA-IRXDYDNUSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448624 795462379 /nfs/dbraw/zinc/46/23/79/795462379.db2.gz CPKIEXSNRITHNF-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614983 795722016 /nfs/dbraw/zinc/72/20/16/795722016.db2.gz SXYYUJLYKIKEOH-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001182741336 795745745 /nfs/dbraw/zinc/74/57/45/795745745.db2.gz MNSYTZVOSBHNNX-RVKKMQEKSA-N 2 0 318.465 2.381 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576735 795895666 /nfs/dbraw/zinc/89/56/66/795895666.db2.gz RBLABFKKYPRKJA-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184714296 796109359 /nfs/dbraw/zinc/10/93/59/796109359.db2.gz WWJHQWRCDWIMCB-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001185316927 796228350 /nfs/dbraw/zinc/22/83/50/796228350.db2.gz KVCCPHQZFDPJID-MSOLQXFVSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185740409 796310473 /nfs/dbraw/zinc/31/04/73/796310473.db2.gz BXAXZPNJNIAZOA-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001186075164 796353368 /nfs/dbraw/zinc/35/33/68/796353368.db2.gz OCSYKNFSDMNRQH-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1C#N ZINC001139725422 796417006 /nfs/dbraw/zinc/41/70/06/796417006.db2.gz ORDRQYMMIGFYDP-RBUKOAKNSA-N 2 0 312.461 2.077 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963666 796747592 /nfs/dbraw/zinc/74/75/92/796747592.db2.gz OHZNSMNEEMCKKN-YESZJQIVSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561732 797227943 /nfs/dbraw/zinc/22/79/43/797227943.db2.gz SMNRAMJUKVAZSX-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001192293308 797355323 /nfs/dbraw/zinc/35/53/23/797355323.db2.gz HRLXRDJEKYDFHN-LSDHHAIUSA-N 2 0 316.449 2.329 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153654441 797370975 /nfs/dbraw/zinc/37/09/75/797370975.db2.gz XDLSLTRCTQPTRV-CABCVRRESA-N 2 0 301.450 2.069 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990823 797438735 /nfs/dbraw/zinc/43/87/35/797438735.db2.gz SSXOVKIKZMDNFJ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255850 798171161 /nfs/dbraw/zinc/17/11/61/798171161.db2.gz NBFXVBDLBSEZNS-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082324 798339761 /nfs/dbraw/zinc/33/97/61/798339761.db2.gz BRLYJQNIFBGLRY-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158467256 798411701 /nfs/dbraw/zinc/41/17/01/798411701.db2.gz FKLQQTSBYQFYPI-SJORKVTESA-N 2 0 307.482 2.053 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768596 798466264 /nfs/dbraw/zinc/46/62/64/798466264.db2.gz ZIHMWVSXMOAJPE-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169443 798658197 /nfs/dbraw/zinc/65/81/97/798658197.db2.gz RPQRNCPONXIBCC-DLBZAZTESA-N 2 0 305.466 2.041 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855955 798750218 /nfs/dbraw/zinc/75/02/18/798750218.db2.gz DRUAGVLJVNUQSZ-UHFFFAOYSA-N 2 0 317.477 2.023 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3c(N)cccc3C#N)cc[nH+]2)CC1 ZINC001201668007 798780673 /nfs/dbraw/zinc/78/06/73/798780673.db2.gz OWIKQYSQUHEWOI-UHFFFAOYSA-N 2 0 308.389 2.031 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133730 798800641 /nfs/dbraw/zinc/80/06/41/798800641.db2.gz NYVIYCDESKBDAB-QGZVFWFLSA-N 2 0 307.482 2.287 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161220082 798812422 /nfs/dbraw/zinc/81/24/22/798812422.db2.gz SURNDGDQOOQNPE-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932557 798970840 /nfs/dbraw/zinc/97/08/40/798970840.db2.gz USHLXHGMVOQLNS-UHFFFAOYSA-N 2 0 305.466 2.187 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531180 799617663 /nfs/dbraw/zinc/61/76/63/799617663.db2.gz AQRBSZKSNQBYDQ-IAGOWNOFSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165976099 799806024 /nfs/dbraw/zinc/80/60/24/799806024.db2.gz NTFAJQZVILCLSP-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166409831 799867515 /nfs/dbraw/zinc/86/75/15/799867515.db2.gz ZXDCWDIFMHBHJJ-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641228 800098226 /nfs/dbraw/zinc/09/82/26/800098226.db2.gz PQWSCCSHPBSDEL-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001205314038 800342210 /nfs/dbraw/zinc/34/22/10/800342210.db2.gz RISLFLIGDNPWOQ-GOSISDBHSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700719 800404328 /nfs/dbraw/zinc/40/43/28/800404328.db2.gz TXWAROFYODHTBR-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206274837 800500535 /nfs/dbraw/zinc/50/05/35/800500535.db2.gz LOLHRYCAZFIYEA-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206288514 800502780 /nfs/dbraw/zinc/50/27/80/800502780.db2.gz UPBOJDJRTOLQGK-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001206857374 800607137 /nfs/dbraw/zinc/60/71/37/800607137.db2.gz KUVRKTCWOCFPPL-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206871413 800611794 /nfs/dbraw/zinc/61/17/94/800611794.db2.gz KRWUOJGBGWWBEX-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001206886499 800617937 /nfs/dbraw/zinc/61/79/37/800617937.db2.gz RBKBSFCMQWCJHX-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207396370 800743106 /nfs/dbraw/zinc/74/31/06/800743106.db2.gz GWFZQCKWMFBPSV-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001207436877 800752591 /nfs/dbraw/zinc/75/25/91/800752591.db2.gz VUUCCXWGKYFGMQ-GOSISDBHSA-N 2 0 321.465 2.097 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682134 800805717 /nfs/dbraw/zinc/80/57/17/800805717.db2.gz AYFHXRRHQVIKEI-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208459907 800987610 /nfs/dbraw/zinc/98/76/10/800987610.db2.gz MIOFHRKPFZYTCC-INIZCTEOSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208609946 801030990 /nfs/dbraw/zinc/03/09/90/801030990.db2.gz XPQBCBMRJFTWQJ-FGTMMUONSA-N 2 0 308.466 2.154 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210585637 801426647 /nfs/dbraw/zinc/42/66/47/801426647.db2.gz RNQUMCYGWSAQAD-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598218 801432316 /nfs/dbraw/zinc/43/23/16/801432316.db2.gz IESPADSZPITMKY-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214853054 801767135 /nfs/dbraw/zinc/76/71/35/801767135.db2.gz QHXNRSZVZUFLPH-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861344 801768132 /nfs/dbraw/zinc/76/81/32/801768132.db2.gz RLBKOCQYPKNPNE-HLLBOEOZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778528 801903885 /nfs/dbraw/zinc/90/38/85/801903885.db2.gz QEWGUNLEYDKHQI-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP COc1cc(C[NH+](C)C)cc(F)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001234243805 802334136 /nfs/dbraw/zinc/33/41/36/802334136.db2.gz KQPPMZMAISHVED-CQSZACIVSA-N 2 0 324.420 2.263 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1cccc(OC)c1 ZINC001221403725 802567160 /nfs/dbraw/zinc/56/71/60/802567160.db2.gz DRUUCCYXOQEBPE-IRXDYDNUSA-N 2 0 319.449 2.275 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221711124 802605821 /nfs/dbraw/zinc/60/58/21/802605821.db2.gz ZLIAAZFCEGBROM-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001223507346 802796612 /nfs/dbraw/zinc/79/66/12/802796612.db2.gz QONSZGDAHKVLJR-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001223720447 802810488 /nfs/dbraw/zinc/81/04/88/802810488.db2.gz YAPHJNBRHVEDLF-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001224692454 802893432 /nfs/dbraw/zinc/89/34/32/802893432.db2.gz UDISDJVKUQFDBG-OAHLLOKOSA-N 2 0 304.438 2.239 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408815 803238481 /nfs/dbraw/zinc/23/84/81/803238481.db2.gz YKLXSDOSDMQKQV-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001228932203 803432400 /nfs/dbraw/zinc/43/24/00/803432400.db2.gz JYTGPPRPESTJEO-RCCFBDPRSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001331559000 1149529937 /nfs/dbraw/zinc/52/99/37/1149529937.db2.gz CNAPPBCMJNBNGO-MRXNPFEDSA-N 2 0 317.477 2.417 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCC1 ZINC001368498306 1148468261 /nfs/dbraw/zinc/46/82/61/1148468261.db2.gz QCYKMDVLQQCRFX-AWEZNQCLSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001351165812 1151480934 /nfs/dbraw/zinc/48/09/34/1151480934.db2.gz QJVIGZWQLWWEGT-JZXOWHBKSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001499858038 1058329487 /nfs/dbraw/zinc/32/94/87/1058329487.db2.gz QQOISNXAOQKLSK-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001499955499 1058402261 /nfs/dbraw/zinc/40/22/61/1058402261.db2.gz SPTURVBTFDWKMY-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001500381764 1058737099 /nfs/dbraw/zinc/73/70/99/1058737099.db2.gz DQLSTWOPSXSXQE-IEBWSBKVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001505435189 1060594420 /nfs/dbraw/zinc/59/44/20/1060594420.db2.gz DETASDXIMHKFQI-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479314823 1061387568 /nfs/dbraw/zinc/38/75/68/1061387568.db2.gz VYVDMSFXLCAGMY-NXOAAHMSSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001479452014 1061464019 /nfs/dbraw/zinc/46/40/19/1061464019.db2.gz JEGCITQONKJZCR-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001479527711 1061494179 /nfs/dbraw/zinc/49/41/79/1061494179.db2.gz IUPYTSUADTVVGH-ROUUACIJSA-N 2 0 321.509 2.348 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001479527706 1061494934 /nfs/dbraw/zinc/49/49/34/1061494934.db2.gz IUPYTSUADTVVGH-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001479986055 1062148543 /nfs/dbraw/zinc/14/85/43/1062148543.db2.gz CFDIURQADFGQRB-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480088544 1062306789 /nfs/dbraw/zinc/30/67/89/1062306789.db2.gz JDNDXVNRAGAPAC-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001506863885 1062448011 /nfs/dbraw/zinc/44/80/11/1062448011.db2.gz BEPBYODNNNGCRY-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480209711 1062466669 /nfs/dbraw/zinc/46/66/69/1062466669.db2.gz NTKMWJISUDRWNE-IYBDPMFKSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001506885418 1062472008 /nfs/dbraw/zinc/47/20/08/1062472008.db2.gz PJUICBREGKVWPU-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001480270016 1062575525 /nfs/dbraw/zinc/57/55/25/1062575525.db2.gz UNVZQKZEADSCTF-GOSISDBHSA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001507027625 1062692564 /nfs/dbraw/zinc/69/25/64/1062692564.db2.gz RKLOFCOTRZSCPZ-ROUUACIJSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507283482 1063031585 /nfs/dbraw/zinc/03/15/85/1063031585.db2.gz BOGPJINMDOEITP-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507315581 1063083917 /nfs/dbraw/zinc/08/39/17/1063083917.db2.gz AXTFVKSDGNXQGX-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001507349596 1063139321 /nfs/dbraw/zinc/13/93/21/1063139321.db2.gz WAGRKLBZFUVKFR-MAUKXSAKSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001508029800 1063503660 /nfs/dbraw/zinc/50/36/60/1063503660.db2.gz FZLHDBAAUVWGAI-QGZVFWFLSA-N 2 0 315.461 2.116 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001493966752 1064048571 /nfs/dbraw/zinc/04/85/71/1064048571.db2.gz GHAZSZAXHWZVOE-QZTJIDSGSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001493972051 1064052286 /nfs/dbraw/zinc/05/22/86/1064052286.db2.gz SGXMVPVMUQZQLV-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001567386914 1064175490 /nfs/dbraw/zinc/17/54/90/1064175490.db2.gz POYVLSVUJXXIAJ-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567699520 1064355801 /nfs/dbraw/zinc/35/58/01/1064355801.db2.gz MMKXQCXMMWSNDF-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001567701701 1064358680 /nfs/dbraw/zinc/35/86/80/1064358680.db2.gz NDZAKJFWYNXUNX-CQSZACIVSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567976829 1064574928 /nfs/dbraw/zinc/57/49/28/1064574928.db2.gz KQGSLOPWSNDOJW-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@H]1C ZINC001568043479 1064615043 /nfs/dbraw/zinc/61/50/43/1064615043.db2.gz KWMVYZLQVUPTAH-AEFFLSMTSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568329275 1064781441 /nfs/dbraw/zinc/78/14/41/1064781441.db2.gz VIXZGABFKMWSOY-QZTJIDSGSA-N 2 0 321.509 2.415 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCCC1 ZINC001568348820 1064794276 /nfs/dbraw/zinc/79/42/76/1064794276.db2.gz KBGWDTAGXNHFSP-QGZVFWFLSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001495283121 1064806904 /nfs/dbraw/zinc/80/69/04/1064806904.db2.gz WBYCPIPUNPHHSG-VQIMIIECSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568535576 1064946838 /nfs/dbraw/zinc/94/68/38/1064946838.db2.gz FQRVDRHVOACOAB-JKSUJKDBSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001496299244 1065392509 /nfs/dbraw/zinc/39/25/09/1065392509.db2.gz AQBOWXCAONXLLE-KRWDZBQOSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC=C(C)C)C(C)C)CC1 ZINC001496639833 1065612588 /nfs/dbraw/zinc/61/25/88/1065612588.db2.gz TXFLOYKUOYMRPV-GOSISDBHSA-N 2 0 319.493 2.028 20 30 DEEDRP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001496706024 1065661498 /nfs/dbraw/zinc/66/14/98/1065661498.db2.gz YWQLJVQNLDUSEH-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001496782241 1065708470 /nfs/dbraw/zinc/70/84/70/1065708470.db2.gz XUKBUAROKUYDCW-INIZCTEOSA-N 2 0 318.465 2.110 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001569866194 1065777478 /nfs/dbraw/zinc/77/74/78/1065777478.db2.gz LSVZUCMTBWKAAI-IYARVYRRSA-N 2 0 321.509 2.417 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496914122 1065801263 /nfs/dbraw/zinc/80/12/63/1065801263.db2.gz SXXIWYJKVAKDDJ-ZWKOTPCHSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001570021584 1065886429 /nfs/dbraw/zinc/88/64/29/1065886429.db2.gz HIKHUBBYXZXJSS-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001570381135 1066040794 /nfs/dbraw/zinc/04/07/94/1066040794.db2.gz XGNSXWBCUUGMLU-INIZCTEOSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001570448645 1066076983 /nfs/dbraw/zinc/07/69/83/1066076983.db2.gz GKLGKIZKEWZJGZ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001570510853 1066101182 /nfs/dbraw/zinc/10/11/82/1066101182.db2.gz ZGPMCNUQAQFDNC-JKSUJKDBSA-N 2 0 313.461 2.213 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309156 1148520013 /nfs/dbraw/zinc/52/00/13/1148520013.db2.gz UJFMJVWMICSRDM-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001499094989 1067089264 /nfs/dbraw/zinc/08/92/64/1067089264.db2.gz HPCMTNPTADTJPB-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001499585016 1067267607 /nfs/dbraw/zinc/26/76/07/1067267607.db2.gz ONTWJGXWYRHPSO-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1CC[NH3+] ZINC001579440199 1067341776 /nfs/dbraw/zinc/34/17/76/1067341776.db2.gz PKRRZDKIGRPQTC-DGCLKSJQSA-N 2 0 320.824 2.067 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001580047558 1067481753 /nfs/dbraw/zinc/48/17/53/1067481753.db2.gz KNAZXQIEKAPMFA-QGZVFWFLSA-N 2 0 320.481 2.265 20 30 DEEDRP N#Cc1ccc(CN2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066599 1067487734 /nfs/dbraw/zinc/48/77/34/1067487734.db2.gz OJNNJDAWXYNOGZ-RDJZCZTQSA-N 2 0 314.389 2.417 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001279565991 1078549300 /nfs/dbraw/zinc/54/93/00/1078549300.db2.gz VJQCNIOBUPRUAN-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576229 1078596687 /nfs/dbraw/zinc/59/66/87/1078596687.db2.gz LTPJQLHKZPHMDL-SJORKVTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570544593 1067996494 /nfs/dbraw/zinc/99/64/94/1067996494.db2.gz ZJVWWDNSDRLZDX-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001570582853 1068020572 /nfs/dbraw/zinc/02/05/72/1068020572.db2.gz YWJJMSIIXDKKQT-OFLPRAFFSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001570714569 1068087391 /nfs/dbraw/zinc/08/73/91/1068087391.db2.gz RCTWQFMKPHIUCU-CYBMUJFWSA-N 2 0 309.479 2.436 20 30 DEEDRP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001570813969 1068125579 /nfs/dbraw/zinc/12/55/79/1068125579.db2.gz JTNURODPJMRERF-CVEARBPZSA-N 2 0 318.465 2.205 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001570863289 1068143485 /nfs/dbraw/zinc/14/34/85/1068143485.db2.gz BRFXQBVMUDVMBX-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001329229869 1148876715 /nfs/dbraw/zinc/87/67/15/1148876715.db2.gz CIDYMIBUAQPNKK-LXPRWKDFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001329229825 1148876647 /nfs/dbraw/zinc/87/66/47/1148876647.db2.gz ASWJYDWYZUOCLX-DAWZGUTISA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267273207 1078719072 /nfs/dbraw/zinc/71/90/72/1078719072.db2.gz CLMHTOMOFQPOLC-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001571649096 1068458680 /nfs/dbraw/zinc/45/86/80/1068458680.db2.gz ROQOHHMLMTXWPW-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267493326 1078918288 /nfs/dbraw/zinc/91/82/88/1078918288.db2.gz FXLMMAGOGDQNIA-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001267547408 1078977628 /nfs/dbraw/zinc/97/76/28/1078977628.db2.gz XERVRGIHLPJLGT-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001483800907 1079129326 /nfs/dbraw/zinc/12/93/26/1079129326.db2.gz FDXRHJNKDABBBF-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001483846245 1079148330 /nfs/dbraw/zinc/14/83/30/1079148330.db2.gz FWDLOSFUOUXEHO-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001483959646 1079204911 /nfs/dbraw/zinc/20/49/11/1079204911.db2.gz ZTTZSJIJTAGIOV-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001267615056 1079225490 /nfs/dbraw/zinc/22/54/90/1079225490.db2.gz FTAHLDKFTBEFJI-RBSFLKMASA-N 2 0 302.422 2.060 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566130998 1075235041 /nfs/dbraw/zinc/23/50/41/1075235041.db2.gz FOKAHPPWNBOJNB-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566632939 1075302196 /nfs/dbraw/zinc/30/21/96/1075302196.db2.gz HGXVZAOULOCOJL-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001566745544 1075332809 /nfs/dbraw/zinc/33/28/09/1075332809.db2.gz OLWMXSBJMTZMLR-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001566947932 1075395905 /nfs/dbraw/zinc/39/59/05/1075395905.db2.gz NBJPYYYIEDBDFT-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001566972839 1075405826 /nfs/dbraw/zinc/40/58/26/1075405826.db2.gz NHUXMSYWIUWUMM-ZBRFXRBCSA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001566987786 1075409164 /nfs/dbraw/zinc/40/91/64/1075409164.db2.gz LSMJEPCZIYTYEV-GTPINHCMSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001566992377 1075410589 /nfs/dbraw/zinc/41/05/89/1075410589.db2.gz UMKVLBKCKGKKNN-DAWZGUTISA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267753844 1079454527 /nfs/dbraw/zinc/45/45/27/1079454527.db2.gz OOANATNAGKNFRS-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001329460270 1148897211 /nfs/dbraw/zinc/89/72/11/1148897211.db2.gz PXMCDTBADKYQIE-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484551619 1079656376 /nfs/dbraw/zinc/65/63/76/1079656376.db2.gz MSQDSPWGAYUHNV-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001481343075 1079736446 /nfs/dbraw/zinc/73/64/46/1079736446.db2.gz QMQHYIRQNNBVTG-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481409831 1079798221 /nfs/dbraw/zinc/79/82/21/1079798221.db2.gz ULFDLQHBIHWGEM-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481439292 1079849578 /nfs/dbraw/zinc/84/95/78/1079849578.db2.gz UGLHDVCIYXADQU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001485031200 1079924536 /nfs/dbraw/zinc/92/45/36/1079924536.db2.gz VGCUNINUGHPWKH-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001268044394 1079925329 /nfs/dbraw/zinc/92/53/29/1079925329.db2.gz AIAFSACSKSCLAR-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481489336 1079946924 /nfs/dbraw/zinc/94/69/24/1079946924.db2.gz PKXLNUFMMITTSY-SJORKVTESA-N 2 0 309.498 2.319 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001485075475 1079959369 /nfs/dbraw/zinc/95/93/69/1079959369.db2.gz GJRZEFUUGKBHKF-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001656109947 1080046903 /nfs/dbraw/zinc/04/69/03/1080046903.db2.gz VMPQVIYLCJYAMZ-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001656225291 1080069681 /nfs/dbraw/zinc/06/96/81/1080069681.db2.gz HGZMLBBITFEZEB-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C1CCCCC1 ZINC001268121775 1080090307 /nfs/dbraw/zinc/09/03/07/1080090307.db2.gz WXZZRVHHGZSCHP-KRWDZBQOSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485264130 1080097069 /nfs/dbraw/zinc/09/70/69/1080097069.db2.gz KGEZZDNUGSVIGY-UHFFFAOYSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656909917 1080138498 /nfs/dbraw/zinc/13/84/98/1080138498.db2.gz SOIHSQYVGVFMFQ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001485455973 1080216735 /nfs/dbraw/zinc/21/67/35/1080216735.db2.gz CTJXVGKUTFBOSX-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001485459051 1080227356 /nfs/dbraw/zinc/22/73/56/1080227356.db2.gz KZZKPWRXFHFMRF-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268251811 1080231057 /nfs/dbraw/zinc/23/10/57/1080231057.db2.gz PRUOENAILVISIK-KRWDZBQOSA-N 2 0 313.461 2.165 20 30 DEEDRP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001660277377 1080300314 /nfs/dbraw/zinc/30/03/14/1080300314.db2.gz GASIUMYGJZGZCQ-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001485666582 1080355437 /nfs/dbraw/zinc/35/54/37/1080355437.db2.gz POIVYJVQFVUYSW-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983995 1080492303 /nfs/dbraw/zinc/49/23/03/1080492303.db2.gz SJZGPJGAGAJVND-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001272733265 1080514133 /nfs/dbraw/zinc/51/41/33/1080514133.db2.gz AFVLCVSBJPOXRX-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099553884 1080525123 /nfs/dbraw/zinc/52/51/23/1080525123.db2.gz WLSLEGYJGVLOKE-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001662108391 1080570938 /nfs/dbraw/zinc/57/09/38/1080570938.db2.gz DXOQSZIHVSOJLV-ABHNRTSZSA-N 2 0 319.493 2.311 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@@H]1C ZINC001481964832 1080656760 /nfs/dbraw/zinc/65/67/60/1080656760.db2.gz TWVYRLRFJVIKOR-WMZOPIPTSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663548651 1080773425 /nfs/dbraw/zinc/77/34/25/1080773425.db2.gz UYESRBSPXGVNSO-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC001664593547 1080930251 /nfs/dbraw/zinc/93/02/51/1080930251.db2.gz ZWLGNVQEBVRGSN-SJORKVTESA-N 2 0 303.450 2.350 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001664678019 1080940957 /nfs/dbraw/zinc/94/09/57/1080940957.db2.gz JYROHQDNNRCRCK-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001665019389 1080983451 /nfs/dbraw/zinc/98/34/51/1080983451.db2.gz SGUBTFPWKALVFG-LSDHHAIUSA-N 2 0 304.438 2.135 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001665567198 1081040831 /nfs/dbraw/zinc/04/08/31/1081040831.db2.gz OOWNQMCZAMAJBE-LTIDMASMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001667211454 1081224873 /nfs/dbraw/zinc/22/48/73/1081224873.db2.gz UKONDBGAQASSGZ-UKRRQHHQSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001667285478 1081233691 /nfs/dbraw/zinc/23/36/91/1081233691.db2.gz SBIPJVFWAGRPGN-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001667337542 1081239240 /nfs/dbraw/zinc/23/92/40/1081239240.db2.gz DNANZHKXQRAMOZ-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001667337541 1081239435 /nfs/dbraw/zinc/23/94/35/1081239435.db2.gz DNANZHKXQRAMOZ-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001269403612 1081239438 /nfs/dbraw/zinc/23/94/38/1081239438.db2.gz YGUPLQJOYZAMJF-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001667401509 1081248583 /nfs/dbraw/zinc/24/85/83/1081248583.db2.gz VWNHPJKDQQIWDB-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001667416581 1081250636 /nfs/dbraw/zinc/25/06/36/1081250636.db2.gz AJFHEALIONLICR-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001668118541 1081317803 /nfs/dbraw/zinc/31/78/03/1081317803.db2.gz WIRPOOFTTIRWTI-HNNXBMFYSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H](C)C1 ZINC001269971355 1081413184 /nfs/dbraw/zinc/41/31/84/1081413184.db2.gz GNQOZNMPLDVGEL-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001668994906 1081416943 /nfs/dbraw/zinc/41/69/43/1081416943.db2.gz CUMKIFNLEIRDFT-JTHGQSKGSA-N 2 0 317.477 2.069 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001270011129 1081426990 /nfs/dbraw/zinc/42/69/90/1081426990.db2.gz RCQQIDBMOYWSKU-LUKYLMHMSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001270066422 1081441595 /nfs/dbraw/zinc/44/15/95/1081441595.db2.gz KFQPWINDAMKORB-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001280163756 1081451064 /nfs/dbraw/zinc/45/10/64/1081451064.db2.gz KUEFRICRHUAWMP-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001669974115 1081485538 /nfs/dbraw/zinc/48/55/38/1081485538.db2.gz QTLJJUXLMVAWGS-ZWKOTPCHSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1CC[NH+](CCC)CC1 ZINC001671491420 1081519382 /nfs/dbraw/zinc/51/93/82/1081519382.db2.gz APRVQCAUNKQHKO-SFHVURJKSA-N 2 0 321.509 2.443 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001671748355 1081536428 /nfs/dbraw/zinc/53/64/28/1081536428.db2.gz SWNIUPAPHCMXSC-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001671748354 1081536514 /nfs/dbraw/zinc/53/65/14/1081536514.db2.gz SWNIUPAPHCMXSC-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001672937664 1081724500 /nfs/dbraw/zinc/72/45/00/1081724500.db2.gz MSLOHPRVEIPNMS-MAUKXSAKSA-N 2 0 313.445 2.071 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001673201970 1081745587 /nfs/dbraw/zinc/74/55/87/1081745587.db2.gz PUGHMGOBYQIJBT-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001673993319 1081822359 /nfs/dbraw/zinc/82/23/59/1081822359.db2.gz IWUCYAXPXAAHRU-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001482438720 1081830113 /nfs/dbraw/zinc/83/01/13/1081830113.db2.gz YUYKGMLNSJSESE-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271017719 1081877447 /nfs/dbraw/zinc/87/74/47/1081877447.db2.gz VJWHQGUHEXZPEA-LJQANCHMSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482451247 1081889307 /nfs/dbraw/zinc/88/93/07/1081889307.db2.gz STHCWQJUKIXZIB-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251636 1081917661 /nfs/dbraw/zinc/91/76/61/1081917661.db2.gz DTNNUOAYKIEJPF-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266373807 1082005514 /nfs/dbraw/zinc/00/55/14/1082005514.db2.gz LXHHJCJVDDERGN-KRWDZBQOSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266463873 1082053458 /nfs/dbraw/zinc/05/34/58/1082053458.db2.gz QJBPOJAEOSMENU-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001266466396 1082055430 /nfs/dbraw/zinc/05/54/30/1082055430.db2.gz NYMUGPZSJHDMCH-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001271717914 1082118312 /nfs/dbraw/zinc/11/83/12/1082118312.db2.gz YAYOTEAQWGSENJ-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CCC2CC2)CC1 ZINC001671499807 1082159772 /nfs/dbraw/zinc/15/97/72/1082159772.db2.gz JOVRJCCCBZCQBQ-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266565383 1082163058 /nfs/dbraw/zinc/16/30/58/1082163058.db2.gz WAHYFNLORVEYJV-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001271891205 1082182332 /nfs/dbraw/zinc/18/23/32/1082182332.db2.gz IEBLILRXYPWMOX-OKZBNKHCSA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001482537582 1082183915 /nfs/dbraw/zinc/18/39/15/1082183915.db2.gz DXZIWTCSFKLHJL-QGZVFWFLSA-N 2 0 321.509 2.393 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001482557681 1082214334 /nfs/dbraw/zinc/21/43/34/1082214334.db2.gz UEGVJGZILGBAIX-QGZVFWFLSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266749905 1082319298 /nfs/dbraw/zinc/31/92/98/1082319298.db2.gz OGRYLSXILWSQHE-FUHWJXTLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001671679003 1082442794 /nfs/dbraw/zinc/44/27/94/1082442794.db2.gz QZXOCRILGLXRJQ-SFHVURJKSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]21 ZINC001482669279 1082451877 /nfs/dbraw/zinc/45/18/77/1082451877.db2.gz YYAKGPDIIVCKKG-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001276468389 1083455030 /nfs/dbraw/zinc/45/50/30/1083455030.db2.gz ISMRDLUUZWLDHO-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001277375475 1083933315 /nfs/dbraw/zinc/93/33/15/1083933315.db2.gz CWEXAGCHYXMKOJ-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001491170119 1084124377 /nfs/dbraw/zinc/12/43/77/1084124377.db2.gz JKEMVCZIYDDBGI-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729595 1084163360 /nfs/dbraw/zinc/16/33/60/1084163360.db2.gz LKWGBEQTWVXYBP-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001272888244 1084427620 /nfs/dbraw/zinc/42/76/20/1084427620.db2.gz SPGFDONLGAXCKI-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCCC#N)CC3)n(C)n1 ZINC001277945304 1084429211 /nfs/dbraw/zinc/42/92/11/1084429211.db2.gz VMYHVIZNLSYSML-UHFFFAOYSA-N 2 0 315.465 2.320 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001078711213 1084822477 /nfs/dbraw/zinc/82/24/77/1084822477.db2.gz QTXKLNWCHZGZKA-CABCVRRESA-N 2 0 317.433 2.158 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960287890 1085182366 /nfs/dbraw/zinc/18/23/66/1085182366.db2.gz IRALVHNTAPHQPD-XWTMOSNGSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001486525645 1085408525 /nfs/dbraw/zinc/40/85/25/1085408525.db2.gz SDJXTHYQQHZFIP-MRXNPFEDSA-N 2 0 319.424 2.059 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180374 1085626853 /nfs/dbraw/zinc/62/68/53/1085626853.db2.gz GRZMAHPWJCAIFC-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180376 1085627051 /nfs/dbraw/zinc/62/70/51/1085627051.db2.gz GRZMAHPWJCAIFC-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001273144789 1086815131 /nfs/dbraw/zinc/81/51/31/1086815131.db2.gz SPXAAOIWEFECCX-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC001114499919 1088178570 /nfs/dbraw/zinc/17/85/70/1088178570.db2.gz YXJQCAJWOTTXHW-PIIMJCKOSA-N 2 0 324.428 2.269 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310898 1088807645 /nfs/dbraw/zinc/80/76/45/1088807645.db2.gz IPSGFCVQTDIBBS-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310897 1088808183 /nfs/dbraw/zinc/80/81/83/1088808183.db2.gz IPSGFCVQTDIBBS-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001080755981 1089173880 /nfs/dbraw/zinc/17/38/80/1089173880.db2.gz DTIKMMDSOIXTKD-KURKYZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619194 1089334362 /nfs/dbraw/zinc/33/43/62/1089334362.db2.gz RUXLEGSXYPLRIC-FVQHAEBGSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082559432 1090006756 /nfs/dbraw/zinc/00/67/56/1090006756.db2.gz FKJDKXBXMQFPEM-KBAYOESNSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001082852103 1090090310 /nfs/dbraw/zinc/09/03/10/1090090310.db2.gz TYZDEXQVBYGGMO-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084339892 1090270498 /nfs/dbraw/zinc/27/04/98/1090270498.db2.gz MLELFLUIPHQONU-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752112 1090423694 /nfs/dbraw/zinc/42/36/94/1090423694.db2.gz UACSFQKAEAGZRT-QZTJIDSGSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085101207 1090645597 /nfs/dbraw/zinc/64/55/97/1090645597.db2.gz HAWDTNHIYFUZPB-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(C#N)s1)C2 ZINC001275588952 1091891647 /nfs/dbraw/zinc/89/16/47/1091891647.db2.gz JONKQKUHEGBDJW-UHFFFAOYSA-N 2 0 318.490 2.079 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948767716 1091925214 /nfs/dbraw/zinc/92/52/14/1091925214.db2.gz ZRNIZCODWHIATH-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001273565763 1091926031 /nfs/dbraw/zinc/92/60/31/1091926031.db2.gz IYNCTDQVDCUFFE-KRWDZBQOSA-N 2 0 307.482 2.053 20 30 DEEDRP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001273565764 1091926159 /nfs/dbraw/zinc/92/61/59/1091926159.db2.gz IYNCTDQVDCUFFE-QGZVFWFLSA-N 2 0 307.482 2.053 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001275632575 1091927152 /nfs/dbraw/zinc/92/71/52/1091927152.db2.gz KIJOIIYUJPMUFE-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191541876 1091958945 /nfs/dbraw/zinc/95/89/45/1091958945.db2.gz CPMSOOBAOKQKOT-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829403 1091960108 /nfs/dbraw/zinc/96/01/08/1091960108.db2.gz MMVPTXHADPJNEK-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948868354 1091973270 /nfs/dbraw/zinc/97/32/70/1091973270.db2.gz HUNMZILYOQIMFP-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001275829399 1092191738 /nfs/dbraw/zinc/19/17/38/1092191738.db2.gz ZTFYYECELUAGGV-YQQQUEKLSA-N 2 0 312.461 2.205 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001488960242 1092828475 /nfs/dbraw/zinc/82/84/75/1092828475.db2.gz GUFHTUGTQXEJRJ-GVDBMIGSSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001490774306 1093523003 /nfs/dbraw/zinc/52/30/03/1093523003.db2.gz IATAQXIGPLRLIT-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001490777148 1093526236 /nfs/dbraw/zinc/52/62/36/1093526236.db2.gz NAXJTJDOUSDGDN-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001278034185 1138468658 /nfs/dbraw/zinc/46/86/58/1138468658.db2.gz LIIFTMJOQAICSH-HNNXBMFYSA-N 2 0 319.449 2.195 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491752209 1140295768 /nfs/dbraw/zinc/29/57/68/1140295768.db2.gz VNWVGBKZNHOBEJ-SJORKVTESA-N 2 0 309.498 2.489 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318823341 1140427458 /nfs/dbraw/zinc/42/74/58/1140427458.db2.gz VQXOBPZFUFQJHH-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319860965 1140772320 /nfs/dbraw/zinc/77/23/20/1140772320.db2.gz KBRSUGVAWYERHL-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001319957872 1140806998 /nfs/dbraw/zinc/80/69/98/1140806998.db2.gz ZKOBVCDUKBRDTA-KRWDZBQOSA-N 2 0 303.450 2.278 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246002072 1140844700 /nfs/dbraw/zinc/84/47/00/1140844700.db2.gz TXOYARQPVORKTB-MSOLQXFVSA-N 2 0 322.424 2.020 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024327 1140849107 /nfs/dbraw/zinc/84/91/07/1140849107.db2.gz UTAHIABLYQNQOX-IRXDYDNUSA-N 2 0 300.487 2.274 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001320437380 1140866239 /nfs/dbraw/zinc/86/62/39/1140866239.db2.gz LOBVXJWCHKRUCG-ZDUSSCGKSA-N 2 0 309.479 2.484 20 30 DEEDRP N#CC1(c2ccccc2)CCC([NH2+]CCCNCCC[NH3+])CC1 ZINC001246455067 1140905306 /nfs/dbraw/zinc/90/53/06/1140905306.db2.gz WHSYZYZCPRIFGI-UHFFFAOYSA-N 2 0 314.477 2.309 20 30 DEEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC001246550204 1140954347 /nfs/dbraw/zinc/95/43/47/1140954347.db2.gz MGRMNWHIRBEMGG-RYRKJORJSA-N 2 0 321.465 2.237 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001323022891 1141802762 /nfs/dbraw/zinc/80/27/62/1141802762.db2.gz RTCGRUNAMQMPHC-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001323480121 1141857825 /nfs/dbraw/zinc/85/78/25/1141857825.db2.gz QMKWLCIEDGXYHJ-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001324620139 1142158410 /nfs/dbraw/zinc/15/84/10/1142158410.db2.gz PYOPYHIPYXXDTB-FUHWJXTLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001278639866 1142567469 /nfs/dbraw/zinc/56/74/69/1142567469.db2.gz MYTYNQWBVQXOLB-HZPDHXFCSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001252619345 1142790819 /nfs/dbraw/zinc/79/08/19/1142790819.db2.gz LTTUCWIIJOVZSS-SFHVURJKSA-N 2 0 303.450 2.210 20 30 DEEDRP C#CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001278690092 1142835676 /nfs/dbraw/zinc/83/56/76/1142835676.db2.gz NNLJNLYFKMFBOG-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001253227389 1142855895 /nfs/dbraw/zinc/85/58/95/1142855895.db2.gz IERPWVBNPHHJPH-GOSISDBHSA-N 2 0 311.514 2.053 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254522565 1143206366 /nfs/dbraw/zinc/20/63/66/1143206366.db2.gz ORXHYADGVPGDBK-OKZBNKHCSA-N 2 0 308.466 2.297 20 30 DEEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662231 1143303878 /nfs/dbraw/zinc/30/38/78/1143303878.db2.gz DFMLVEPFSYSWKM-WJFTUGDTSA-N 2 0 317.477 2.359 20 30 DEEDRP C=CC[C@]1(C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)CCC[NH2+]1 ZINC001341993479 1143763767 /nfs/dbraw/zinc/76/37/67/1143763767.db2.gz UBCNMTUJKFNZKD-CEXWTWQISA-N 2 0 317.477 2.019 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001342382227 1143814269 /nfs/dbraw/zinc/81/42/69/1143814269.db2.gz ZXRSUMVXITULFE-CVEARBPZSA-N 2 0 307.413 2.228 20 30 DEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256620716 1143857806 /nfs/dbraw/zinc/85/78/06/1143857806.db2.gz AVBCNVSYHLYNQW-AYHJJNSGSA-N 3 0 300.450 2.279 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001279026729 1143936556 /nfs/dbraw/zinc/93/65/56/1143936556.db2.gz XYINZWOGGSTOOH-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001263957476 1144432145 /nfs/dbraw/zinc/43/21/45/1144432145.db2.gz DXMPKCOUUWMERT-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP 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 1144444071 /nfs/dbraw/zinc/44/40/71/1144444071.db2.gz UEDXTOUHUQRWHE-OIISXLGYSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001264567775 1144567923 /nfs/dbraw/zinc/56/79/23/1144567923.db2.gz IDLBGILHOUNYAH-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001264682131 1144592002 /nfs/dbraw/zinc/59/20/02/1144592002.db2.gz QNWUVMIFKGNHTM-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC[C@@H](CC#N)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390911380 1144613530 /nfs/dbraw/zinc/61/35/30/1144613530.db2.gz XECWCKJUXGADMJ-SFHVURJKSA-N 2 0 300.450 2.086 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCC(C)(C)C)CC1 ZINC001265073004 1144637725 /nfs/dbraw/zinc/63/77/25/1144637725.db2.gz LZOAECIQVFXLMJ-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001265087259 1144640508 /nfs/dbraw/zinc/64/05/08/1144640508.db2.gz XHBOSQBWXLZHBB-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001265091938 1144641589 /nfs/dbraw/zinc/64/15/89/1144641589.db2.gz MBXBDMIHBZLIAX-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001265356926 1144697843 /nfs/dbraw/zinc/69/78/43/1144697843.db2.gz RQFMLCUTJWHJQU-GVDBMIGSSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265572228 1144712724 /nfs/dbraw/zinc/71/27/24/1144712724.db2.gz BDZHMJAMAUKJHW-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001265738628 1144736309 /nfs/dbraw/zinc/73/63/09/1144736309.db2.gz JNQSJVMXSIWOQK-UHFFFAOYSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265982598 1144776731 /nfs/dbraw/zinc/77/67/31/1144776731.db2.gz IAHXRMHAILNFNI-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266112905 1144806607 /nfs/dbraw/zinc/80/66/07/1144806607.db2.gz CKSAZDYPKGBDJL-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001279589765 1144825342 /nfs/dbraw/zinc/82/53/42/1144825342.db2.gz ZMLOBEWOKXXUMK-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCC1 ZINC001280495729 1144842622 /nfs/dbraw/zinc/84/26/22/1144842622.db2.gz YXVWAKDFEFEHSD-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889898 1144861517 /nfs/dbraw/zinc/86/15/17/1144861517.db2.gz RWFGWCPCJFCRJD-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001281049879 1144870485 /nfs/dbraw/zinc/87/04/85/1144870485.db2.gz NDTMSROOVIPACQ-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001281049880 1144870501 /nfs/dbraw/zinc/87/05/01/1144870501.db2.gz NDTMSROOVIPACQ-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001281833401 1144915551 /nfs/dbraw/zinc/91/55/51/1144915551.db2.gz LFMQVBUQZOBGNX-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001282015886 1144928697 /nfs/dbraw/zinc/92/86/97/1144928697.db2.gz QCYBWOBMBRMSKW-OFLPRAFFSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001282261852 1145026516 /nfs/dbraw/zinc/02/65/16/1145026516.db2.gz ZUWVYJQZXUKZQB-DAWZGUTISA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001282567161 1145088193 /nfs/dbraw/zinc/08/81/93/1145088193.db2.gz HDFWILJFQCODPN-GOSISDBHSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001282677899 1145123791 /nfs/dbraw/zinc/12/37/91/1145123791.db2.gz JZNOXXSJGCKRFQ-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001283650224 1145561877 /nfs/dbraw/zinc/56/18/77/1145561877.db2.gz ULWWCAXIPLWDTG-INIZCTEOSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001283940767 1145718664 /nfs/dbraw/zinc/71/86/64/1145718664.db2.gz TVOKRUJHUILHLA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001316633780 1145880800 /nfs/dbraw/zinc/88/08/00/1145880800.db2.gz RTRXZMUSTMXTBQ-TVFCKZIOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001491950470 1147015209 /nfs/dbraw/zinc/01/52/09/1147015209.db2.gz AOHLYSYOOPMDRZ-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492154452 1147101835 /nfs/dbraw/zinc/10/18/35/1147101835.db2.gz NJROWAOCNINLME-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317205874 1147275387 /nfs/dbraw/zinc/27/53/87/1147275387.db2.gz FSLZUIFFZPPGRF-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC#Cc1ccccc1)CC[NH+](C)C ZINC001308742485 1147484866 /nfs/dbraw/zinc/48/48/66/1147484866.db2.gz GVDQKJCWDKSCRT-HXUWFJFHSA-N 2 0 313.489 2.386 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316949518 1147574813 /nfs/dbraw/zinc/57/48/13/1147574813.db2.gz UGSMXAODOQHZDC-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317045052 1147581672 /nfs/dbraw/zinc/58/16/72/1147581672.db2.gz OHTUUYMZJJFUPJ-GOSISDBHSA-N 2 0 319.493 2.056 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001316776339 1147597345 /nfs/dbraw/zinc/59/73/45/1147597345.db2.gz ZXJQDMXZHSOSCE-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+](CC)CCCNC(=O)c1sccc1C[NH+](C)C ZINC001316891279 1147624650 /nfs/dbraw/zinc/62/46/50/1147624650.db2.gz HJKCDIRVWIFRIG-UHFFFAOYSA-N 2 0 321.490 2.275 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317045804 1147652706 /nfs/dbraw/zinc/65/27/06/1147652706.db2.gz WXLLVHRKNKTUOD-SJORKVTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001367215659 1147665170 /nfs/dbraw/zinc/66/51/70/1147665170.db2.gz VOUQUTAQRXETFR-UHFFFAOYSA-N 2 0 313.873 2.053 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204305 1147676180 /nfs/dbraw/zinc/67/61/80/1147676180.db2.gz MGFLFQWUKNYBHP-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001317597995 1147731089 /nfs/dbraw/zinc/73/10/89/1147731089.db2.gz DIQBPFOVDRKOPZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317781414 1147751698 /nfs/dbraw/zinc/75/16/98/1147751698.db2.gz CSNQSAAAHGUDAD-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001318223987 1147800658 /nfs/dbraw/zinc/80/06/58/1147800658.db2.gz MYQWYKBXACSSRX-ROUUACIJSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324750897 1147840005 /nfs/dbraw/zinc/84/00/05/1147840005.db2.gz JYXHZNOIORTWGH-GOSISDBHSA-N 2 0 312.417 2.271 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001324886113 1147855352 /nfs/dbraw/zinc/85/53/52/1147855352.db2.gz HMIIBADATIDMDU-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001324886112 1147855439 /nfs/dbraw/zinc/85/54/39/1147855439.db2.gz HMIIBADATIDMDU-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001325689770 1147983949 /nfs/dbraw/zinc/98/39/49/1147983949.db2.gz ONIOLCRBSNINID-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001326604950 1148158800 /nfs/dbraw/zinc/15/88/00/1148158800.db2.gz ZMCLDGLQVCCMJN-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001326602618 1148159608 /nfs/dbraw/zinc/15/96/08/1148159608.db2.gz DICZPQRGXZXLJM-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001353509226 1151835309 /nfs/dbraw/zinc/83/53/09/1151835309.db2.gz WTESBXVLMAXEGN-IRXDYDNUSA-N 2 0 303.450 2.398 20 30 DEEDRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000083052923 185212084 /nfs/dbraw/zinc/21/20/84/185212084.db2.gz PFCXPVUAPHNHAQ-UHFFFAOYSA-N 2 0 308.426 2.162 20 30 DEEDRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000181690142 199339435 /nfs/dbraw/zinc/33/94/35/199339435.db2.gz ALRYGAMHUKJDSE-HOTGVXAUSA-N 2 0 300.450 2.092 20 30 DEEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000589336482 357465890 /nfs/dbraw/zinc/46/58/90/357465890.db2.gz KJKCXRHVBALBGM-GOSISDBHSA-N 2 0 312.461 2.161 20 30 DEEDRP CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000591570803 357737155 /nfs/dbraw/zinc/73/71/55/357737155.db2.gz PVSVKLUJJNKZFJ-IRXDYDNUSA-N 2 0 313.449 2.042 20 30 DEEDRP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000593915187 358171741 /nfs/dbraw/zinc/17/17/41/358171741.db2.gz SCUPLYOFDXPFOA-INIZCTEOSA-N 2 0 308.470 2.168 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc(C#N)cc1 ZINC000595388247 358437688 /nfs/dbraw/zinc/43/76/88/358437688.db2.gz DLDIUDQMTCHEKL-GUDVDZBRSA-N 2 0 313.445 2.284 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000595893101 358574075 /nfs/dbraw/zinc/57/40/75/358574075.db2.gz PFEIHUYLBVSICR-OALUTQOASA-N 2 0 313.445 2.319 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000602497898 360406147 /nfs/dbraw/zinc/40/61/47/360406147.db2.gz DVRMEAICNYHPHE-SFHVURJKSA-N 2 0 314.477 2.334 20 30 DEEDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602537294 360422284 /nfs/dbraw/zinc/42/22/84/360422284.db2.gz CVWXKJWXRHTYLC-UHFFFAOYSA-N 2 0 324.428 2.226 20 30 DEEDRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329175487 285285756 /nfs/dbraw/zinc/28/57/56/285285756.db2.gz MBIOFKBWWHBVME-RDJZCZTQSA-N 2 0 323.481 2.197 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304811488 285339890 /nfs/dbraw/zinc/33/98/90/285339890.db2.gz XGBUKWKKURDHEK-KCQAQPDRSA-N 2 0 324.494 2.070 20 30 DEEDRP COCCNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000267383462 533339914 /nfs/dbraw/zinc/33/99/14/533339914.db2.gz AZVIKWAVQZCLDI-OAHLLOKOSA-N 2 0 318.465 2.201 20 30 DEEDRP C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129309067 401802273 /nfs/dbraw/zinc/80/22/73/401802273.db2.gz SYVXRMZOOOOAKP-GXFFZTMASA-N 2 0 321.494 2.050 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085360810 401914429 /nfs/dbraw/zinc/91/44/29/401914429.db2.gz IXGQBGAZDKCQMS-HNNXBMFYSA-N 2 0 324.513 2.302 20 30 DEEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCCCC1 ZINC000104173520 402199523 /nfs/dbraw/zinc/19/95/23/402199523.db2.gz LPQUCWTYOIPGEM-UHFFFAOYSA-N 2 0 310.511 2.149 20 30 DEEDRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccn1 ZINC000170912092 402540824 /nfs/dbraw/zinc/54/08/24/402540824.db2.gz GYXKOIZLHOFKEJ-QGZVFWFLSA-N 2 0 323.444 2.373 20 30 DEEDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278871349 402880342 /nfs/dbraw/zinc/88/03/42/402880342.db2.gz WZGWJLDSTKRTDA-QFBILLFUSA-N 2 0 314.477 2.482 20 30 DEEDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271942564 402886163 /nfs/dbraw/zinc/88/61/63/402886163.db2.gz MGQXFOACONWTKZ-AWEZNQCLSA-N 2 0 318.440 2.374 20 30 DEEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C1CC1)Cc1ccccc1 ZINC000273350555 402997154 /nfs/dbraw/zinc/99/71/54/402997154.db2.gz QAFHBWQONPHVPB-KRWDZBQOSA-N 2 0 302.466 2.348 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280548636 403011838 /nfs/dbraw/zinc/01/18/38/403011838.db2.gz IXHKGBWEMVQJLA-DJIMGWMZSA-N 2 0 318.440 2.460 20 30 DEEDRP C=CCN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](CC)CC)c2)C1=O ZINC000280906132 403048802 /nfs/dbraw/zinc/04/88/02/403048802.db2.gz BXTVGBBMLJGBBE-GOSISDBHSA-N 2 0 315.461 2.405 20 30 DEEDRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339039953 403332196 /nfs/dbraw/zinc/33/21/96/403332196.db2.gz CUPKLJDLNUBBQS-WMZOPIPTSA-N 2 0 304.482 2.169 20 30 DEEDRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000332348537 403557740 /nfs/dbraw/zinc/55/77/40/403557740.db2.gz ALRPQALHRJNFEZ-RBUKOAKNSA-N 2 0 313.445 2.334 20 30 DEEDRP Cc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)ccc1C#N ZINC000344026470 403857192 /nfs/dbraw/zinc/85/71/92/403857192.db2.gz JXZQYPZCUZWOAK-UHFFFAOYSA-N 2 0 302.466 2.182 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000290455503 404176695 /nfs/dbraw/zinc/17/66/95/404176695.db2.gz DCOBQVVOBDOSMN-INIZCTEOSA-N 2 0 300.450 2.355 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)CC[NH+]2CCCC2)CC1 ZINC000352907679 404689121 /nfs/dbraw/zinc/68/91/21/404689121.db2.gz FVDRCSTUYBVLEZ-UHFFFAOYSA-N 2 0 322.497 2.154 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC000451996826 405121602 /nfs/dbraw/zinc/12/16/02/405121602.db2.gz YLHYXFMNFRRRIN-UHFFFAOYSA-N 2 0 318.440 2.203 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454471861 405350140 /nfs/dbraw/zinc/35/01/40/405350140.db2.gz ZVLBBRRTIVLSEL-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CC[C@H]1CC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000651816079 425148537 /nfs/dbraw/zinc/14/85/37/425148537.db2.gz ATTOKJMOIISCGZ-IRXDYDNUSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661117517 425326785 /nfs/dbraw/zinc/32/67/85/425326785.db2.gz REUQHRYCHAHKTG-YJBOKZPZSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000653110662 425408217 /nfs/dbraw/zinc/40/82/17/425408217.db2.gz PZMRQDIWECJCIR-IRXDYDNUSA-N 2 0 307.482 2.191 20 30 DEEDRP C=CCOCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665263395 425531832 /nfs/dbraw/zinc/53/18/32/425531832.db2.gz LRKRRTUURTVPBO-SJLPKXTDSA-N 2 0 302.418 2.425 20 30 DEEDRP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662663004 425706300 /nfs/dbraw/zinc/70/63/00/425706300.db2.gz BPPSARUQZOLWKT-MJGOQNOKSA-N 2 0 313.445 2.075 20 30 DEEDRP C=CC[C@@]1(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662674198 425709016 /nfs/dbraw/zinc/70/90/16/425709016.db2.gz ZKIQYPXAWKUOTN-SFHVURJKSA-N 2 0 317.433 2.264 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662683964 425711652 /nfs/dbraw/zinc/71/16/52/425711652.db2.gz XZVPRVNSFZNMLG-JZXOWHBKSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)C(C)C ZINC000662681295 425712595 /nfs/dbraw/zinc/71/25/95/425712595.db2.gz FANDAQYGOJTJBW-INIZCTEOSA-N 2 0 319.493 2.463 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730909 425723991 /nfs/dbraw/zinc/72/39/91/425723991.db2.gz URQGBHUUJWGWHU-VQIMIIECSA-N 2 0 315.461 2.321 20 30 DEEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCSC(C)(C)C1 ZINC000261971780 275802251 /nfs/dbraw/zinc/80/22/51/275802251.db2.gz QHVSVOCYDZEVEH-UHFFFAOYSA-N 2 0 300.516 2.167 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CSC)cc1 ZINC000285171500 279303504 /nfs/dbraw/zinc/30/35/04/279303504.db2.gz TZTBJDPIADINTG-MRXNPFEDSA-N 2 0 320.506 2.438 20 30 DEEDRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[NH2+]C1 ZINC000422983197 290007549 /nfs/dbraw/zinc/00/75/49/290007549.db2.gz YWPDFHBLPSSLER-CWRNSKLLSA-N 2 0 316.424 2.254 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970618 782090911 /nfs/dbraw/zinc/09/09/11/782090911.db2.gz HUVGFFNYELZFNS-IXDOHACOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000171696453 337088672 /nfs/dbraw/zinc/08/86/72/337088672.db2.gz MUXPYYXJFRAXMR-UHFFFAOYSA-N 2 0 310.486 2.055 20 30 DEEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCOCCC#N)CC2)C[C@H](C)O1 ZINC000339012881 533925562 /nfs/dbraw/zinc/92/55/62/533925562.db2.gz IVYLAZQPGIPWDQ-IRXDYDNUSA-N 2 0 323.481 2.128 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NCC(C)(C)c1cccs1 ZINC000262487775 526371590 /nfs/dbraw/zinc/37/15/90/526371590.db2.gz ITLOJHRUOXQTLL-ZDUSSCGKSA-N 2 0 308.495 2.142 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417534278 526425295 /nfs/dbraw/zinc/42/52/95/526425295.db2.gz VXEXKVXBWQVKIS-UHFFFAOYSA-N 2 0 322.497 2.187 20 30 DEEDRP CC1CCN(C(=[NH2+])NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000267451766 528210756 /nfs/dbraw/zinc/21/07/56/528210756.db2.gz RSKVZOUQKUPVBV-UHFFFAOYSA-N 2 0 306.429 2.434 20 30 DEEDRP CC[NH+]=C(NCc1ccsc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262025075 528818287 /nfs/dbraw/zinc/81/82/87/528818287.db2.gz ZMPCIXWBSGEYQG-IUODEOHRSA-N 2 0 306.479 2.286 20 30 DEEDRP C=CCC[N@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001327695104 1148624214 /nfs/dbraw/zinc/62/42/14/1148624214.db2.gz FHVIIHFOGQPZFH-UHFFFAOYSA-N 2 0 301.434 2.146 20 30 DEEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023633502 625362841 /nfs/dbraw/zinc/36/28/41/625362841.db2.gz ZGUYFFNOOHWBTK-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP CC[NH+](CC)CC#C[C@@H](C)OC(=O)C12CCC[NH+](CCC1)C2 ZINC000892863698 625672501 /nfs/dbraw/zinc/67/25/01/625672501.db2.gz NGKUEDCNHCPRGM-MRXNPFEDSA-N 2 0 306.450 2.139 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575686 623779621 /nfs/dbraw/zinc/77/96/21/623779621.db2.gz MFLWPTIQIHIMMQ-HZPDHXFCSA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971667008 624498011 /nfs/dbraw/zinc/49/80/11/624498011.db2.gz HCPULRAXLIBGLO-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[C@H]1CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000934459026 624882341 /nfs/dbraw/zinc/88/23/41/624882341.db2.gz AWDAZCDLBYIGPE-IRXDYDNUSA-N 2 0 301.434 2.056 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024811851 625064457 /nfs/dbraw/zinc/06/44/57/625064457.db2.gz BZGURQPXVGDCTN-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024811848 625064769 /nfs/dbraw/zinc/06/47/69/625064769.db2.gz BZGURQPXVGDCTN-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023410110 625257100 /nfs/dbraw/zinc/25/71/00/625257100.db2.gz ODYSWWLYLRWYEY-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007495108 625269585 /nfs/dbraw/zinc/26/95/85/625269585.db2.gz IMHMQWQPSBUWTL-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453917 625275486 /nfs/dbraw/zinc/27/54/86/625275486.db2.gz KTBIVKPMQWGBFV-HNNXBMFYSA-N 2 0 312.417 2.271 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501655 625823814 /nfs/dbraw/zinc/82/38/14/625823814.db2.gz HDBYWWXSJIWXSO-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557228 625876579 /nfs/dbraw/zinc/87/65/79/625876579.db2.gz OXNXWNKHELBBKT-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488602 634618794 /nfs/dbraw/zinc/61/87/94/634618794.db2.gz GPNJJROJLDWFDS-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999972528 634712087 /nfs/dbraw/zinc/71/20/87/634712087.db2.gz GHLJGOQWKBCBIL-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000107612 634747718 /nfs/dbraw/zinc/74/77/18/634747718.db2.gz ZLCOTPIRADJLNO-INIZCTEOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000995919504 633139816 /nfs/dbraw/zinc/13/98/16/633139816.db2.gz RMLARZWKCVKETQ-IAGOWNOFSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974679139 633231712 /nfs/dbraw/zinc/23/17/12/633231712.db2.gz GMGZTNQAZILJIH-JKSUJKDBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC000996381369 633250979 /nfs/dbraw/zinc/25/09/79/633250979.db2.gz VBPZTZAOOPDYFK-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974771354 633294079 /nfs/dbraw/zinc/29/40/79/633294079.db2.gz CSVABPPLSNJDAT-INIZCTEOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008771704 633380413 /nfs/dbraw/zinc/38/04/13/633380413.db2.gz UXPPYBNRZBGZLU-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027408964 633748030 /nfs/dbraw/zinc/74/80/30/633748030.db2.gz APZNHJZEIDPWPK-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027452510 633810272 /nfs/dbraw/zinc/81/02/72/633810272.db2.gz PUMOYAAYIHEHPY-CABCVRRESA-N 2 0 315.889 2.248 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977623758 634076829 /nfs/dbraw/zinc/07/68/29/634076829.db2.gz VXTUNSBAQGRKAK-KRWDZBQOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC000978229535 634248936 /nfs/dbraw/zinc/24/89/36/634248936.db2.gz JODMXQIZKKLHHT-FJIDUMEYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980523173 635034359 /nfs/dbraw/zinc/03/43/59/635034359.db2.gz DVNGIFQBIVJMEE-HNNXBMFYSA-N 2 0 319.449 2.454 20 30 DEEDRP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169407 635340618 /nfs/dbraw/zinc/34/06/18/635340618.db2.gz WFNJSADQAFXCPY-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045700 635363491 /nfs/dbraw/zinc/36/34/91/635363491.db2.gz OMGQCSFVOJHNHN-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981325047 635440267 /nfs/dbraw/zinc/44/02/67/635440267.db2.gz ZNLGSEUIOLYNSO-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001001521823 635521180 /nfs/dbraw/zinc/52/11/80/635521180.db2.gz JTSNHLDAWPEDFF-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000981540778 635523165 /nfs/dbraw/zinc/52/31/65/635523165.db2.gz GCUUWXQBEMKVAA-DLBZAZTESA-N 2 0 313.445 2.012 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001001565857 635527930 /nfs/dbraw/zinc/52/79/30/635527930.db2.gz UAHUPDOMMXXSPM-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981681501 635591929 /nfs/dbraw/zinc/59/19/29/635591929.db2.gz DXOFMBAAXJDLAY-UHFFFAOYSA-N 2 0 315.461 2.125 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981822469 635673692 /nfs/dbraw/zinc/67/36/92/635673692.db2.gz LDNAWDVILSZDAI-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981871204 635704155 /nfs/dbraw/zinc/70/41/55/635704155.db2.gz WFVITEBTHLIEKE-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160753 635893245 /nfs/dbraw/zinc/89/32/45/635893245.db2.gz CZGYWINTUFPUSO-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP 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 635955014 /nfs/dbraw/zinc/95/50/14/635955014.db2.gz RYWGRQVJHZLPTE-YTQUADARSA-N 2 0 319.493 2.073 20 30 DEEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925894421 636014492 /nfs/dbraw/zinc/01/44/92/636014492.db2.gz YEVXSYIMSYFQIL-GOEBONIOSA-N 2 0 301.438 2.266 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003741011 636043883 /nfs/dbraw/zinc/04/38/83/636043883.db2.gz MURZLCJOVULIIN-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001003939618 636092011 /nfs/dbraw/zinc/09/20/11/636092011.db2.gz YSKJTNLDNNWDGH-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C#Cc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922388206 636142111 /nfs/dbraw/zinc/14/21/11/636142111.db2.gz CXYTWJVRPCHFLA-UAFMIMERSA-N 2 0 312.457 2.237 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946736550 636586977 /nfs/dbraw/zinc/58/69/77/636586977.db2.gz YXXKLAODBZVGQK-XLAORIBOSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946751899 636599134 /nfs/dbraw/zinc/59/91/34/636599134.db2.gz JMZMKTYKRZEPGG-HDICACEKSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028918332 636850166 /nfs/dbraw/zinc/85/01/66/636850166.db2.gz FGITZAQVBQJNRD-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919041 636851205 /nfs/dbraw/zinc/85/12/05/636851205.db2.gz PVJKNNVJHRKGCX-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006083541 637181369 /nfs/dbraw/zinc/18/13/69/637181369.db2.gz HOHMKWBQJXHKEW-SFHVURJKSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000985592869 639535154 /nfs/dbraw/zinc/53/51/54/639535154.db2.gz FWIUKNDEWFSWTH-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000985592855 639535789 /nfs/dbraw/zinc/53/57/89/639535789.db2.gz FWIUKNDEWFSWTH-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985750505 639614699 /nfs/dbraw/zinc/61/46/99/639614699.db2.gz GNHFEWVKEURRND-NVXWUHKLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000986483152 639908259 /nfs/dbraw/zinc/90/82/59/639908259.db2.gz SVVCPALBWFBRNE-IUODEOHRSA-N 2 0 318.808 2.279 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000986956111 640024183 /nfs/dbraw/zinc/02/41/83/640024183.db2.gz JUEYZZHTDUFHEG-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477389 650749146 /nfs/dbraw/zinc/74/91/46/650749146.db2.gz SZBCTWNBZFASNF-IRXDYDNUSA-N 2 0 322.497 2.177 20 30 DEEDRP C[C@H]1CNC(NN=C2CCCC[C@H]2[N@H+]2C[C@H](C)C[C@H](C)C2)=[NH+]1 ZINC000779797190 642540320 /nfs/dbraw/zinc/54/03/20/642540320.db2.gz BJUCOIRDHKEEBI-KNCOVGOOSA-N 2 0 305.470 2.200 20 30 DEEDRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902796948 643148093 /nfs/dbraw/zinc/14/80/93/643148093.db2.gz XAZQXVDFZLDWFQ-QAPCUYQASA-N 2 0 300.450 2.235 20 30 DEEDRP C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903827509 643474369 /nfs/dbraw/zinc/47/43/69/643474369.db2.gz UWZUOLONVCWLSA-CQSZACIVSA-N 2 0 305.447 2.210 20 30 DEEDRP C=CCN1CCC([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905095033 643798744 /nfs/dbraw/zinc/79/87/44/643798744.db2.gz HIXFENZVQDSUPL-RBUKOAKNSA-N 2 0 318.461 2.101 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829235 646696120 /nfs/dbraw/zinc/69/61/20/646696120.db2.gz HHTMKRYVUXVZNB-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992120367 646861644 /nfs/dbraw/zinc/86/16/44/646861644.db2.gz BMMJVDYTQGTTRM-IMBTUZDBSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992403105 646971788 /nfs/dbraw/zinc/97/17/88/646971788.db2.gz ADUAJUNDZBXECL-XYJFISCASA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992432240 646997936 /nfs/dbraw/zinc/99/79/36/646997936.db2.gz PYICTJJDCUFTCC-FUHWJXTLSA-N 2 0 316.449 2.042 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992475496 647050368 /nfs/dbraw/zinc/05/03/68/647050368.db2.gz JTFIJPBYUQNDMO-XYJFISCASA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480605 647684184 /nfs/dbraw/zinc/68/41/84/647684184.db2.gz QGLRGGBQAJTCQH-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736139 648934862 /nfs/dbraw/zinc/93/48/62/648934862.db2.gz AGUHQUWOGXOREE-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942287604 649200667 /nfs/dbraw/zinc/20/06/67/649200667.db2.gz LPSDFCWXRMAKLE-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518566 649232373 /nfs/dbraw/zinc/23/23/73/649232373.db2.gz TZNTWQCYBZWCPT-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581589 649253405 /nfs/dbraw/zinc/25/34/05/649253405.db2.gz JJBTXDIMMVSYGV-HOCLYGCPSA-N 2 0 319.449 2.358 20 30 DEEDRP C#CC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829804316 649358973 /nfs/dbraw/zinc/35/89/73/649358973.db2.gz GOQXAGODUIEUFT-WOJBJXKFSA-N 2 0 316.489 2.474 20 30 DEEDRP CN(C)C(NCc1ccccc1)=[NH+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000849041099 651592995 /nfs/dbraw/zinc/59/29/95/651592995.db2.gz KFDHNBLNLPJFBK-KRWDZBQOSA-N 2 0 302.466 2.426 20 30 DEEDRP CCC(CC)(CNC(=[NH2+])NCCOC)[NH2+][C@H](C)c1ccccc1 ZINC000111994594 652652683 /nfs/dbraw/zinc/65/26/83/652652683.db2.gz WWAIZWNLFIQZNC-OAHLLOKOSA-N 2 0 320.481 2.447 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568500996 1158399513 /nfs/dbraw/zinc/39/95/13/1158399513.db2.gz BUITUNJXKRXDBD-IRXDYDNUSA-N 2 0 309.498 2.463 20 30 DEEDRP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C12CCCC2 ZINC000304757955 685260108 /nfs/dbraw/zinc/26/01/08/685260108.db2.gz PLBDICHZYHPQOR-ARFHVFGLSA-N 2 0 322.497 2.113 20 30 DEEDRP CCNC(NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)=[NH+]CC ZINC000395901904 685461021 /nfs/dbraw/zinc/46/10/21/685461021.db2.gz LPVAWRMDWVIISB-SFHVURJKSA-N 2 0 302.466 2.474 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054146417 693862060 /nfs/dbraw/zinc/86/20/60/693862060.db2.gz DAGYPKXPXRVVDJ-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054238934 693894669 /nfs/dbraw/zinc/89/46/69/693894669.db2.gz BZMUJWNQBXYFJW-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1Cl ZINC000303792882 685235347 /nfs/dbraw/zinc/23/53/47/685235347.db2.gz YUPRZVNYXPAQSM-AWEZNQCLSA-N 2 0 308.857 2.271 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001054826558 694055054 /nfs/dbraw/zinc/05/50/54/694055054.db2.gz MPPFFESWVYUMRU-GOEBONIOSA-N 2 0 307.482 2.262 20 30 DEEDRP CC[NH+]1CCC(C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000865450541 687216524 /nfs/dbraw/zinc/21/65/24/687216524.db2.gz DCPHSCJHXFIIAQ-UHFFFAOYSA-N 2 0 300.450 2.446 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015797056 687425288 /nfs/dbraw/zinc/42/52/88/687425288.db2.gz WJEOPALBWUVIDS-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016732513 687692083 /nfs/dbraw/zinc/69/20/83/687692083.db2.gz YJFZWTJIRIQPSD-KRWDZBQOSA-N 2 0 324.428 2.495 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016732517 687692124 /nfs/dbraw/zinc/69/21/24/687692124.db2.gz YJFZWTJIRIQPSD-QGZVFWFLSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001017834940 687969078 /nfs/dbraw/zinc/96/90/78/687969078.db2.gz AZUQQQZLAHKNFM-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001018302412 688105236 /nfs/dbraw/zinc/10/52/36/688105236.db2.gz OWZTXMWPRVRGDT-WNKDZCFJSA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001019466235 688361480 /nfs/dbraw/zinc/36/14/80/688361480.db2.gz SDVBNFYHOOSPOY-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCC1 ZINC000870017700 688460850 /nfs/dbraw/zinc/46/08/50/688460850.db2.gz QINBPNAIEULPFJ-IAGOWNOFSA-N 2 0 321.509 2.321 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001020156646 688475738 /nfs/dbraw/zinc/47/57/38/688475738.db2.gz VBBVKGYTHBPEDT-BRWVUGGUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031707214 688984128 /nfs/dbraw/zinc/98/41/28/688984128.db2.gz TULJMNBULSVBSO-UHFFFAOYSA-N 2 0 307.463 2.047 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046082 689705060 /nfs/dbraw/zinc/70/50/60/689705060.db2.gz PPVRMEXAPZSRIR-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250494 689781150 /nfs/dbraw/zinc/78/11/50/689781150.db2.gz RBRZNELTYIFMBP-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000876723850 689916084 /nfs/dbraw/zinc/91/60/84/689916084.db2.gz YJXRVSZMBGPVTK-ZIAGYGMSSA-N 2 0 313.804 2.015 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001036090617 690257773 /nfs/dbraw/zinc/25/77/73/690257773.db2.gz IQEGEVCSDLESLH-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820901 690486485 /nfs/dbraw/zinc/48/64/85/690486485.db2.gz QLNAPZIDMKSXMQ-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP COCC[N@@H+](Cc1ccc(F)c(C#N)c1)CC1CC[NH+](C)CC1 ZINC000879125162 690573146 /nfs/dbraw/zinc/57/31/46/690573146.db2.gz RTHYWSVVYBZUEA-UHFFFAOYSA-N 2 0 319.424 2.488 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC ZINC001037876711 690630517 /nfs/dbraw/zinc/63/05/17/690630517.db2.gz QHVOUBKXADIUPM-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1CC ZINC001037890392 690634151 /nfs/dbraw/zinc/63/41/51/690634151.db2.gz REXDDEOQMVAQAQ-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038779844 690924486 /nfs/dbraw/zinc/92/44/86/690924486.db2.gz KQJWRAIXBLWIOC-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479691 694408334 /nfs/dbraw/zinc/40/83/34/694408334.db2.gz YVFYDRFMYDYWRS-UHFFFAOYSA-N 2 0 301.434 2.064 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039295729 691076298 /nfs/dbraw/zinc/07/62/98/691076298.db2.gz QWOIDTLUIJKDBW-DUQJVZAFSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282645 691225643 /nfs/dbraw/zinc/22/56/43/691225643.db2.gz XTVPSPGCUCFOFK-LJQANCHMSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040394157 691241521 /nfs/dbraw/zinc/24/15/21/691241521.db2.gz IQYBGZBJDPZCER-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040531623 691262708 /nfs/dbraw/zinc/26/27/08/691262708.db2.gz QKNDJPUXNMEWQJ-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001040761391 691285686 /nfs/dbraw/zinc/28/56/86/691285686.db2.gz VHWKSJKEILMLRH-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440407 691375860 /nfs/dbraw/zinc/37/58/60/691375860.db2.gz MLBLUYUXGUCISA-SFHVURJKSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537041 691389610 /nfs/dbraw/zinc/38/96/10/691389610.db2.gz TWYZWFNUBINUAK-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCCO1 ZINC000883172824 691447777 /nfs/dbraw/zinc/44/77/77/691447777.db2.gz USVJSNHOLGKREK-ZWKOTPCHSA-N 2 0 309.498 2.117 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)CC1 ZINC000883283349 691471845 /nfs/dbraw/zinc/47/18/45/691471845.db2.gz BMOGPVZZCLLLMD-UHFFFAOYSA-N 2 0 310.401 2.193 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042188267 691532788 /nfs/dbraw/zinc/53/27/88/691532788.db2.gz RGCKWYPQNSEWBJ-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042286537 691557314 /nfs/dbraw/zinc/55/73/14/691557314.db2.gz ARJQADBFYOEFLQ-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001044128125 691776747 /nfs/dbraw/zinc/77/67/47/691776747.db2.gz JPYGKPVGEIUFAT-UHFFFAOYSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001044329638 691807567 /nfs/dbraw/zinc/80/75/67/691807567.db2.gz JURUAWHNOKDLDX-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001044814772 691891721 /nfs/dbraw/zinc/89/17/21/691891721.db2.gz HLVTVVFZUOSUMP-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438274 691981283 /nfs/dbraw/zinc/98/12/83/691981283.db2.gz NFJASTJWJKQCOB-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000886080699 691999366 /nfs/dbraw/zinc/99/93/66/691999366.db2.gz FXSXWPFMMHNJGJ-BPQIPLTHSA-N 2 0 317.477 2.380 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045608555 692004211 /nfs/dbraw/zinc/00/42/11/692004211.db2.gz PODPDRKJGYOYPF-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569158 692226596 /nfs/dbraw/zinc/22/65/96/692226596.db2.gz HDWOKIOEHFYGPD-BQFCYCMXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047226968 692397959 /nfs/dbraw/zinc/39/79/59/692397959.db2.gz BTMGNZXIJKGVBJ-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049097709 692764121 /nfs/dbraw/zinc/76/41/21/692764121.db2.gz PMIBRDJUSRXPIZ-KSZLIROESA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235190 692796528 /nfs/dbraw/zinc/79/65/28/692796528.db2.gz MHSDRFBGBZTIFU-HDICACEKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049480514 692895812 /nfs/dbraw/zinc/89/58/12/692895812.db2.gz FOZLJWSDBTXADM-MLHJIOFPSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049663290 692958109 /nfs/dbraw/zinc/95/81/09/692958109.db2.gz LUDMUOARTMAGIH-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049760995 692991287 /nfs/dbraw/zinc/99/12/87/692991287.db2.gz FAESSFWZRITWIP-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049841649 693017988 /nfs/dbraw/zinc/01/79/88/693017988.db2.gz SYKYFNYNCHFMGE-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050067632 693098443 /nfs/dbraw/zinc/09/84/43/693098443.db2.gz PBLVIGNRBSGVCL-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050566693 693208395 /nfs/dbraw/zinc/20/83/95/693208395.db2.gz VXWVRRYXRTZRDQ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925816972 693347678 /nfs/dbraw/zinc/34/76/78/693347678.db2.gz KJBZJHNOHPZTEA-RTBURBONSA-N 2 0 312.461 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052444615 693536762 /nfs/dbraw/zinc/53/67/62/693536762.db2.gz GSEDQDOISGBPAX-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446862 693537341 /nfs/dbraw/zinc/53/73/41/693537341.db2.gz RURMDJNFXIUANZ-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052713506 693602054 /nfs/dbraw/zinc/60/20/54/693602054.db2.gz YOJKSHDRJDBAFN-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051551 693677702 /nfs/dbraw/zinc/67/77/02/693677702.db2.gz NSCBEHIPDRWFMO-ZWKOTPCHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108478 693690632 /nfs/dbraw/zinc/69/06/32/693690632.db2.gz UTBCFHIVOZVPHR-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001402610485 1162409586 /nfs/dbraw/zinc/40/95/86/1162409586.db2.gz LFTOYRKSECMNNQ-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001382084190 1153351051 /nfs/dbraw/zinc/35/10/51/1153351051.db2.gz CCDOQHKGGIGWAR-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)CN(C)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001394800039 1158783402 /nfs/dbraw/zinc/78/34/02/1158783402.db2.gz BYUWZJZIBHFHHA-CQSZACIVSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001397591022 1160351531 /nfs/dbraw/zinc/35/15/31/1160351531.db2.gz GRXLFAKUWXWUFQ-QLFBSQMISA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001401328546 1161931276 /nfs/dbraw/zinc/93/12/76/1161931276.db2.gz CHAZOEJCUHJKES-KBPBESRZSA-N 2 0 303.878 2.056 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001406720096 1164807610 /nfs/dbraw/zinc/80/76/10/1164807610.db2.gz SRGIBBCSBCURAB-CABCVRRESA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001421125138 1171512994 /nfs/dbraw/zinc/51/29/94/1171512994.db2.gz APCIQUGMLNZRFQ-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001422919500 1172933737 /nfs/dbraw/zinc/93/37/37/1172933737.db2.gz PSEKFROQVGVZOT-HOCLYGCPSA-N 2 0 323.868 2.478 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001438832181 1180824962 /nfs/dbraw/zinc/82/49/62/1180824962.db2.gz XHYREKQATNHPKX-CQSZACIVSA-N 2 0 317.905 2.447 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001441613981 1182091430 /nfs/dbraw/zinc/09/14/30/1182091430.db2.gz HLJHJUAUFUYODR-OAHLLOKOSA-N 2 0 315.889 2.299 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001441848651 1182212757 /nfs/dbraw/zinc/21/27/57/1182212757.db2.gz ZQGYAEXYHQYZKV-UONOGXRCSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001442138613 1182341501 /nfs/dbraw/zinc/34/15/01/1182341501.db2.gz BAVJVVNOOBLDTD-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001443920157 1183202000 /nfs/dbraw/zinc/20/20/00/1183202000.db2.gz UALKHLOUFTYCOS-KGLIPLIRSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001445353110 1183844304 /nfs/dbraw/zinc/84/43/04/1183844304.db2.gz CLJKGPNCXIHJMS-MRXNPFEDSA-N 2 0 303.450 2.131 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001446615827 1184452313 /nfs/dbraw/zinc/45/23/13/1184452313.db2.gz NWYNCIBVTXZOQF-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001332012960 1149808081 /nfs/dbraw/zinc/80/80/81/1149808081.db2.gz HHTSILRSBBYXEU-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106778326 782930894 /nfs/dbraw/zinc/93/08/94/782930894.db2.gz GWNXYUHYUHSFCD-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106783067 782932473 /nfs/dbraw/zinc/93/24/73/782932473.db2.gz GFGHBGFLJAESMJ-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089420153 783086178 /nfs/dbraw/zinc/08/61/78/783086178.db2.gz KFUVJRYIZVKXRJ-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947494540 783152304 /nfs/dbraw/zinc/15/23/04/783152304.db2.gz ZBRYDXMFEQHOPE-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497989 783154311 /nfs/dbraw/zinc/15/43/11/783154311.db2.gz MXZBWZBTSQPVKM-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050382 790419129 /nfs/dbraw/zinc/41/91/29/790419129.db2.gz XMQHXMLKSKISHI-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115571565 776547144 /nfs/dbraw/zinc/54/71/44/776547144.db2.gz FDXNWZCTNLTONK-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385385 776979589 /nfs/dbraw/zinc/97/95/89/776979589.db2.gz AQMWIVIUVNRJDK-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167391370 776982834 /nfs/dbraw/zinc/98/28/34/776982834.db2.gz FLXJJBYGYUQJFK-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622440 777970856 /nfs/dbraw/zinc/97/08/56/777970856.db2.gz XHCZKWNJONAGRC-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908572 778244575 /nfs/dbraw/zinc/24/45/75/778244575.db2.gz BZCJTZACDHADJF-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742424 778314046 /nfs/dbraw/zinc/31/40/46/778314046.db2.gz JFSOTHJWPURDRB-IRXDYDNUSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742759 778317876 /nfs/dbraw/zinc/31/78/76/778317876.db2.gz WIWLDVJNUXJHIU-CVEARBPZSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001100815185 778390255 /nfs/dbraw/zinc/39/02/55/778390255.db2.gz LSZATINFGTUISW-UHFFFAOYSA-N 2 0 307.482 2.167 20 30 DEEDRP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(F)cn1 ZINC001167965445 779112808 /nfs/dbraw/zinc/11/28/08/779112808.db2.gz GAOXWNOGIRXAHN-GOOCMWNKSA-N 2 0 302.397 2.331 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671752 779406158 /nfs/dbraw/zinc/40/61/58/779406158.db2.gz OCYGMAAFQLGDCD-RCCFBDPRSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840655 779478582 /nfs/dbraw/zinc/47/85/82/779478582.db2.gz ICXCEBWBHCQLND-GVDBMIGSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001088341852 779994008 /nfs/dbraw/zinc/99/40/08/779994008.db2.gz SKRRLFSSBJGFNG-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001088383347 780054633 /nfs/dbraw/zinc/05/46/33/780054633.db2.gz BZEKVJBGEAKFAT-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088413354 780087515 /nfs/dbraw/zinc/08/75/15/780087515.db2.gz DICBNEBAFDBCHK-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088617004 780623655 /nfs/dbraw/zinc/62/36/55/780623655.db2.gz UZUMWFLNDAPZRV-IKGGRYGDSA-N 2 0 307.482 2.119 20 30 DEEDRP 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 781155920 /nfs/dbraw/zinc/15/59/20/781155920.db2.gz NGBVFWHVEQWZTI-XLAORIBOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385899 783448607 /nfs/dbraw/zinc/44/86/07/783448607.db2.gz QVKOEWHGSJOFRX-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP 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 783554067 /nfs/dbraw/zinc/55/40/67/783554067.db2.gz PLHIPWBTKAPCRR-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 783554308 /nfs/dbraw/zinc/55/43/08/783554308.db2.gz PLHIPWBTKAPCRR-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001085257907 783609221 /nfs/dbraw/zinc/60/92/21/783609221.db2.gz GEKRAIYUFBMKFO-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668885 783943684 /nfs/dbraw/zinc/94/36/84/783943684.db2.gz MUIDLXTVPHUENJ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695630 783972411 /nfs/dbraw/zinc/97/24/11/783972411.db2.gz ODAJXNJKUNSBAK-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085918421 784211731 /nfs/dbraw/zinc/21/17/31/784211731.db2.gz CMINIVPTMDUKAN-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986826 784283246 /nfs/dbraw/zinc/28/32/46/784283246.db2.gz NTLMKEBUWQXQNG-QGZVFWFLSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986825 784284627 /nfs/dbraw/zinc/28/46/27/784284627.db2.gz NTLMKEBUWQXQNG-KRWDZBQOSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC000968731260 784561720 /nfs/dbraw/zinc/56/17/20/784561720.db2.gz ORNZXLIQFNFYPZ-ZIAGYGMSSA-N 2 0 324.856 2.340 20 30 DEEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856078 784621876 /nfs/dbraw/zinc/62/18/76/784621876.db2.gz DDURTYFXVPGIKO-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925699 784653914 /nfs/dbraw/zinc/65/39/14/784653914.db2.gz KVRWSNRPGNITQW-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002453 784687640 /nfs/dbraw/zinc/68/76/40/784687640.db2.gz TZTPJPJIEFWPPH-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114847 791048962 /nfs/dbraw/zinc/04/89/62/791048962.db2.gz KGWIFLYGOMOFTQ-IKGGRYGDSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014339 784689393 /nfs/dbraw/zinc/68/93/93/784689393.db2.gz YBGCMHBQOJDQGW-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086412430 784694212 /nfs/dbraw/zinc/69/42/12/784694212.db2.gz ZRZVATHLTDNICC-SHTZXODSSA-N 2 0 312.417 2.317 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001007457368 784925717 /nfs/dbraw/zinc/92/57/17/784925717.db2.gz MGHPJWQBSCKWPM-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751413 784991278 /nfs/dbraw/zinc/99/12/78/784991278.db2.gz ZHGBGKNCLDFXOX-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171237061 791082770 /nfs/dbraw/zinc/08/27/70/791082770.db2.gz OKNCCSBQZDTEFT-MSOLQXFVSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719014 785504587 /nfs/dbraw/zinc/50/45/87/785504587.db2.gz FCNQXNZHRCRYNT-BBWFWOEESA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108734434 785515506 /nfs/dbraw/zinc/51/55/06/785515506.db2.gz SQGQQDPAMPPUTA-BBWFWOEESA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001108754906 785525204 /nfs/dbraw/zinc/52/52/04/785525204.db2.gz QJAKVMACJZOQGA-JQHSSLGASA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncn1C)C2 ZINC001110053793 786143445 /nfs/dbraw/zinc/14/34/45/786143445.db2.gz YBWSZVNLMHPFTK-PVAVHDDUSA-N 2 0 316.449 2.040 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001112979836 786341362 /nfs/dbraw/zinc/34/13/62/786341362.db2.gz IYYJSGASMNRKTA-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096268145 787599498 /nfs/dbraw/zinc/59/94/98/787599498.db2.gz KBFUYPPHJHPNIG-IKGGRYGDSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493581 788104107 /nfs/dbraw/zinc/10/41/07/788104107.db2.gz MGPQCTGPYCHETR-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)CC[C@@H]1C ZINC001132541316 788118512 /nfs/dbraw/zinc/11/85/12/788118512.db2.gz CVMAMHLASMIAOY-WMZOPIPTSA-N 2 0 315.461 2.274 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132888311 788219219 /nfs/dbraw/zinc/21/92/19/788219219.db2.gz MBXVWFVWZVYBMY-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133072903 788268108 /nfs/dbraw/zinc/26/81/08/788268108.db2.gz MHYVRWHWJSQDTB-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133123049 788289015 /nfs/dbraw/zinc/28/90/15/788289015.db2.gz XYZUPKQGHLBJRA-HZPDHXFCSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133263583 788339712 /nfs/dbraw/zinc/33/97/12/788339712.db2.gz XUZSAUAPLAMUMI-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133309981 788357595 /nfs/dbraw/zinc/35/75/95/788357595.db2.gz JZUBEINFAWOZIX-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133313728 788365914 /nfs/dbraw/zinc/36/59/14/788365914.db2.gz JNRVBYKPZUANPA-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858395 789116434 /nfs/dbraw/zinc/11/64/34/789116434.db2.gz SAQVTHWLAZAJOK-ZIAGYGMSSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994444 789157221 /nfs/dbraw/zinc/15/72/21/789157221.db2.gz QWWCIFCGSLMZLI-UONOGXRCSA-N 2 0 300.406 2.397 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299562 789277885 /nfs/dbraw/zinc/27/78/85/789277885.db2.gz YASYAEKVDHJKPF-ZIAGYGMSSA-N 2 0 307.438 2.404 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767506 789481131 /nfs/dbraw/zinc/48/11/31/789481131.db2.gz DUOUCMZNNXKBQJ-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001170868933 789562091 /nfs/dbraw/zinc/56/20/91/789562091.db2.gz XBQZGULJUHGRMU-QGZVFWFLSA-N 2 0 303.450 2.351 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146582408 791316208 /nfs/dbraw/zinc/31/62/08/791316208.db2.gz HCMXWVOZFJWWMP-LSDHHAIUSA-N 2 0 303.450 2.421 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146700877 791335382 /nfs/dbraw/zinc/33/53/82/791335382.db2.gz ISOPMAKUDPVEKG-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146712738 791347665 /nfs/dbraw/zinc/34/76/65/791347665.db2.gz FHIZKCWNGFGBFD-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001086849018 791567504 /nfs/dbraw/zinc/56/75/04/791567504.db2.gz RVBLYIOSSLOZBZ-KSZLIROESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737080 791783292 /nfs/dbraw/zinc/78/32/92/791783292.db2.gz IJDZOVTTWNIHLT-AOIWGVFYSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900038 791814805 /nfs/dbraw/zinc/81/48/05/791814805.db2.gz PQSJBNUUUIUQGJ-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956435 791864219 /nfs/dbraw/zinc/86/42/19/791864219.db2.gz NPBAJJMRQSCKEY-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015137 791922911 /nfs/dbraw/zinc/92/29/11/791922911.db2.gz KGMQZKWAVPEYCY-APWZRJJASA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835053 791957951 /nfs/dbraw/zinc/95/79/51/791957951.db2.gz IPPPUQAYZGDVFO-SCTDSRPQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001099026508 792044091 /nfs/dbraw/zinc/04/40/91/792044091.db2.gz CRKYBRDBPIYXQQ-RYRKJORJSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062880 792068677 /nfs/dbraw/zinc/06/86/77/792068677.db2.gz KTUMZDXBWUTYCC-HKUYNNGSSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099111205 792099570 /nfs/dbraw/zinc/09/95/70/792099570.db2.gz VCPUNQXQNWVOPM-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527847 792231191 /nfs/dbraw/zinc/23/11/91/792231191.db2.gz DNNPUBAHBAUBCV-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 792239240 /nfs/dbraw/zinc/23/92/40/792239240.db2.gz BPOBKWUYRODDBM-FJIDUMEYSA-N 2 0 319.493 2.072 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480223 792676737 /nfs/dbraw/zinc/67/67/37/792676737.db2.gz HADNGVXXQOCCOZ-UHFFFAOYSA-N 2 0 312.417 2.399 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094412893 792907390 /nfs/dbraw/zinc/90/73/90/792907390.db2.gz OXTWOGXSLDRFFT-YQVWRLOYSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101438505 793160801 /nfs/dbraw/zinc/16/08/01/793160801.db2.gz CFCSFRXSWLETPE-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171634699 793170783 /nfs/dbraw/zinc/17/07/83/793170783.db2.gz WXHDTUATPWPDFB-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001101522214 793205422 /nfs/dbraw/zinc/20/54/22/793205422.db2.gz QDIRHHQNPSHFPB-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001101569717 793236576 /nfs/dbraw/zinc/23/65/76/793236576.db2.gz LWHYKXYTOCHGRU-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472157 793625860 /nfs/dbraw/zinc/62/58/60/793625860.db2.gz KXAUOSSXHXLGFB-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C#CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](CCC)CCC)[C@H](C)C1 ZINC001102507708 793636230 /nfs/dbraw/zinc/63/62/30/793636230.db2.gz KSHYVLYNVYZKHC-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090032 793937679 /nfs/dbraw/zinc/93/76/79/793937679.db2.gz JSXIMSVWZIZMNN-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103138557 793952160 /nfs/dbraw/zinc/95/21/60/793952160.db2.gz REGXSFKSMIMATG-BPLDGKMQSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103656052 794179188 /nfs/dbraw/zinc/17/91/88/794179188.db2.gz QEMODJLQNUKUHD-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000073 794341396 /nfs/dbraw/zinc/34/13/96/794341396.db2.gz UZKUBTZAHQDNGM-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868969 794506984 /nfs/dbraw/zinc/50/69/84/794506984.db2.gz SFHSIUBCBGEGPA-JZXOWHBKSA-N 2 0 307.482 2.264 20 30 DEEDRP CNC(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)=[NH+]C ZINC000693764677 794518371 /nfs/dbraw/zinc/51/83/71/794518371.db2.gz CZFIOSLFWSWJIX-MRXNPFEDSA-N 2 0 300.450 2.084 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003715 794542874 /nfs/dbraw/zinc/54/28/74/794542874.db2.gz AJOZBSZRTFKRFQ-WMZOPIPTSA-N 2 0 305.466 2.019 20 30 DEEDRP 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 794728450 /nfs/dbraw/zinc/72/84/50/794728450.db2.gz ZHJLXNYMQNWMPQ-MLHJIOFPSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115787031 794920147 /nfs/dbraw/zinc/92/01/47/794920147.db2.gz FPXSPKDABMIUMP-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001178486635 794936813 /nfs/dbraw/zinc/93/68/13/794936813.db2.gz BLYDZKNIBAOQOL-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001178908507 795028304 /nfs/dbraw/zinc/02/83/04/795028304.db2.gz VZEDZTBWUXUFEY-UHFFFAOYSA-N 2 0 312.417 2.156 20 30 DEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179591253 795139800 /nfs/dbraw/zinc/13/98/00/795139800.db2.gz RJDVEMZUMMMOIA-SJORKVTESA-N 2 0 309.498 2.417 20 30 DEEDRP C[N@H+](CCCC[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC001118091211 795152306 /nfs/dbraw/zinc/15/23/06/795152306.db2.gz UOMOPGITWQYNEH-UHFFFAOYSA-N 2 0 314.433 2.351 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC(=C)C)CC1 ZINC001180360927 795282088 /nfs/dbraw/zinc/28/20/88/795282088.db2.gz QERMIRLVAMDAIB-UHFFFAOYSA-N 2 0 319.493 2.174 20 30 DEEDRP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448881 795462133 /nfs/dbraw/zinc/46/21/33/795462133.db2.gz HYEZEMJVDOBXPF-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C[NH+]1CCC(CC[NH+]=C(NC[C@@H]2CCOC2)NC(C)(C)C)CC1 ZINC001120462937 795465411 /nfs/dbraw/zinc/46/54/11/795465411.db2.gz YSPDNFKCPKQPIG-INIZCTEOSA-N 2 0 324.513 2.089 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182401287 795663682 /nfs/dbraw/zinc/66/36/82/795663682.db2.gz GCKUHMUOVNHZGX-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001182485562 795697674 /nfs/dbraw/zinc/69/76/74/795697674.db2.gz DERZNCOZVUDMQD-VQIMIIECSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184722633 796115387 /nfs/dbraw/zinc/11/53/87/796115387.db2.gz CWQOJYYVMXWJNU-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184807172 796122444 /nfs/dbraw/zinc/12/24/44/796122444.db2.gz XKOZTZRJMFSXNR-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185261710 796224597 /nfs/dbraw/zinc/22/45/97/796224597.db2.gz XKTHPHOHGBAEAS-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185361471 796238416 /nfs/dbraw/zinc/23/84/16/796238416.db2.gz YYAZKHDUAWQDIG-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185379258 796244429 /nfs/dbraw/zinc/24/44/29/796244429.db2.gz AZWRKRQYFYSNQU-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650056 796298581 /nfs/dbraw/zinc/29/85/81/796298581.db2.gz BDFWQHGUCIYQLE-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185740412 796310528 /nfs/dbraw/zinc/31/05/28/796310528.db2.gz BXAXZPNJNIAZOA-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001188125489 796629404 /nfs/dbraw/zinc/62/94/04/796629404.db2.gz MBTGOPUJROSUBD-MRXNPFEDSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190083917 796934755 /nfs/dbraw/zinc/93/47/55/796934755.db2.gz HKFHCDOVZWZCEE-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191080603 797134332 /nfs/dbraw/zinc/13/43/32/797134332.db2.gz JQHHDHZFJUIQGN-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542870 797219859 /nfs/dbraw/zinc/21/98/59/797219859.db2.gz JIKKRZLBXTYXRG-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193027220 797491972 /nfs/dbraw/zinc/49/19/72/797491972.db2.gz NUNYONWAUXKCSK-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001808 797667291 /nfs/dbraw/zinc/66/72/91/797667291.db2.gz KVEICPVOYAHQOG-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246901 797699682 /nfs/dbraw/zinc/69/96/82/797699682.db2.gz SSGGJEPXIZWYQT-QGZVFWFLSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001196171127 798016633 /nfs/dbraw/zinc/01/66/33/798016633.db2.gz JHYARPXHOHWKMR-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001197049938 798138302 /nfs/dbraw/zinc/13/83/02/798138302.db2.gz ZTOPACNRJFZUAT-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866621 798481923 /nfs/dbraw/zinc/48/19/23/798481923.db2.gz TYNJTWKNHAMAME-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP [NH3+]C1CCN(c2cccc(NCC#Cc3ccccc3)[nH+]2)CC1 ZINC001159375656 798558500 /nfs/dbraw/zinc/55/85/00/798558500.db2.gz FNCVHBKSWDERJD-UHFFFAOYSA-N 2 0 306.413 2.473 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577745 798651865 /nfs/dbraw/zinc/65/18/65/798651865.db2.gz FSVSSFFNZLYLDI-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160132006 798652407 /nfs/dbraw/zinc/65/24/07/798652407.db2.gz ZPIDZBLBSMCROC-QZTJIDSGSA-N 2 0 317.477 2.185 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200578166 798652835 /nfs/dbraw/zinc/65/28/35/798652835.db2.gz NEKPXMFPAFFBAD-WBVHZDCISA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207433 798810384 /nfs/dbraw/zinc/81/03/84/798810384.db2.gz UDHNQSDUHYOFLH-WMZOPIPTSA-N 2 0 319.493 2.289 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728831 799766428 /nfs/dbraw/zinc/76/64/28/799766428.db2.gz VOTGYUHRFQWWHO-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165911900 799793554 /nfs/dbraw/zinc/79/35/54/799793554.db2.gz FWOTWPJIQGQKLL-UHFFFAOYSA-N 2 0 324.428 2.156 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203342233 800038329 /nfs/dbraw/zinc/03/83/29/800038329.db2.gz YWBDAGLCPCSQSF-IRXDYDNUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524054 800069120 /nfs/dbraw/zinc/06/91/20/800069120.db2.gz SXQAHYJFKVOJPU-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205519079 800367950 /nfs/dbraw/zinc/36/79/50/800367950.db2.gz UTBYMMSMCSGBGB-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751560 800413812 /nfs/dbraw/zinc/41/38/12/800413812.db2.gz IBFYRDWHWIRVOQ-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206006770 800457383 /nfs/dbraw/zinc/45/73/83/800457383.db2.gz QQOKETIVMKFADN-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCN(CC[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1)C(=O)OCC ZINC001206579942 800557560 /nfs/dbraw/zinc/55/75/60/800557560.db2.gz BKUUPWYBVFFRAU-INIZCTEOSA-N 2 0 311.470 2.483 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206872467 800611644 /nfs/dbraw/zinc/61/16/44/800611644.db2.gz FZJQNEBGYYFMLJ-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001111161424 800854956 /nfs/dbraw/zinc/85/49/56/800854956.db2.gz JCQRVFMNRMGLEF-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988762 800884572 /nfs/dbraw/zinc/88/45/72/800884572.db2.gz UXGDETPNGPGWRJ-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208460208 800987891 /nfs/dbraw/zinc/98/78/91/800987891.db2.gz QAWVUOJZWOTTJQ-INIZCTEOSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001209588394 801226997 /nfs/dbraw/zinc/22/69/97/801226997.db2.gz HRVVKRKIXUBTCT-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209938994 801310389 /nfs/dbraw/zinc/31/03/89/801310389.db2.gz AFGBFTKJOHWBNA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001230286625 801381580 /nfs/dbraw/zinc/38/15/80/801381580.db2.gz OZVJPJGJHLYSMJ-ZACQAIPSSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619332 801438229 /nfs/dbraw/zinc/43/82/29/801438229.db2.gz XQPLOJQRUHNOBL-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCOc1cccc(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001231623856 801698093 /nfs/dbraw/zinc/69/80/93/801698093.db2.gz YHWGLPAXISDLLZ-UHFFFAOYSA-N 2 0 305.466 2.177 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214853055 801767020 /nfs/dbraw/zinc/76/70/20/801767020.db2.gz QHXNRSZVZUFLPH-IXDOHACOSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001215036033 801792811 /nfs/dbraw/zinc/79/28/11/801792811.db2.gz MFYCHQBOMLQOBJ-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228360 801823162 /nfs/dbraw/zinc/82/31/62/801823162.db2.gz MKZZCDXGWXGZIA-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215781681 801905125 /nfs/dbraw/zinc/90/51/25/801905125.db2.gz NDOBJKSUHPPJEF-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234644366 802439720 /nfs/dbraw/zinc/43/97/20/802439720.db2.gz TXYDXQDAODNQQZ-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221882906 802624108 /nfs/dbraw/zinc/62/41/08/802624108.db2.gz HYBSZCAKHFSYNN-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226830570 803166853 /nfs/dbraw/zinc/16/68/53/803166853.db2.gz JIOKDBWQMUZLFT-IAGOWNOFSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001330900418 1149328153 /nfs/dbraw/zinc/32/81/53/1149328153.db2.gz OJBDRMBDLRJRQE-IAGOWNOFSA-N 2 0 307.482 2.006 20 30 DEEDRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001330935376 1149339216 /nfs/dbraw/zinc/33/92/16/1149339216.db2.gz NYERJSDDCWSHFY-INIZCTEOSA-N 2 0 320.481 2.265 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001330945761 1149341864 /nfs/dbraw/zinc/34/18/64/1149341864.db2.gz JZWZJXDGJNKTJX-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001368866129 1148730355 /nfs/dbraw/zinc/73/03/55/1148730355.db2.gz ICBKFLQFVNEPNW-OLZOCXBDSA-N 2 0 301.862 2.096 20 30 DEEDRP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001479843708 1150890672 /nfs/dbraw/zinc/89/06/72/1150890672.db2.gz JWRKIUBQJUTWRH-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001245992592 1140842797 /nfs/dbraw/zinc/84/27/97/1140842797.db2.gz ZCKQLGCNIIGSNS-IAGOWNOFSA-N 2 0 300.487 2.192 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001328796422 1148836616 /nfs/dbraw/zinc/83/66/16/1148836616.db2.gz HJCBRJHDJGTSRV-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001499955169 1058399941 /nfs/dbraw/zinc/39/99/41/1058399941.db2.gz OIZCMQBCMNCLNV-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001500088057 1058483568 /nfs/dbraw/zinc/48/35/68/1058483568.db2.gz IPLQPURUOKYUDC-DLBZAZTESA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001501399192 1059487865 /nfs/dbraw/zinc/48/78/65/1059487865.db2.gz CMWUYMISPXBJMP-OKZBNKHCSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001501394624 1059488180 /nfs/dbraw/zinc/48/81/80/1059488180.db2.gz IJCITNYGFVGACP-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001502337915 1060050817 /nfs/dbraw/zinc/05/08/17/1060050817.db2.gz BLKCATIVAKBIAK-UHFFFAOYSA-N 2 0 321.490 2.227 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479385934 1061432457 /nfs/dbraw/zinc/43/24/57/1061432457.db2.gz QKDHTGQBHCAITH-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479468629 1061468939 /nfs/dbraw/zinc/46/89/39/1061468939.db2.gz QBIGMUXZANFKKH-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001479778680 1061741634 /nfs/dbraw/zinc/74/16/34/1061741634.db2.gz XFOCFUBRJSIMBO-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001479889005 1061993581 /nfs/dbraw/zinc/99/35/81/1061993581.db2.gz QOQCENXILCQOHB-HZPDHXFCSA-N 2 0 316.449 2.402 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506543098 1062109128 /nfs/dbraw/zinc/10/91/28/1062109128.db2.gz PSHIEWDBKGMHIN-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001506962587 1062603895 /nfs/dbraw/zinc/60/38/95/1062603895.db2.gz RZZFAXJMTWLAQD-KRWDZBQOSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001480408374 1062819212 /nfs/dbraw/zinc/81/92/12/1062819212.db2.gz RGYSFKYGVHQCRM-GTPINHCMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001508107018 1063561368 /nfs/dbraw/zinc/56/13/68/1063561368.db2.gz WMBPYTWXOUNROX-OFLPRAFFSA-N 2 0 307.482 2.404 20 30 DEEDRP CC#CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001508128770 1063570762 /nfs/dbraw/zinc/57/07/62/1063570762.db2.gz JJQCLPBLWMEZLX-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001508154199 1063585079 /nfs/dbraw/zinc/58/50/79/1063585079.db2.gz FKKXFZVQWPMSHH-JCYILVPMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256342 1063671484 /nfs/dbraw/zinc/67/14/84/1063671484.db2.gz AXKWTCJAZCXJJM-JKSUJKDBSA-N 2 0 318.465 2.146 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001493260814 1063677258 /nfs/dbraw/zinc/67/72/58/1063677258.db2.gz UQGGPRFSTSQTQF-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001493574952 1063870303 /nfs/dbraw/zinc/87/03/03/1063870303.db2.gz PFHHBBGTTFNUKK-OAHLLOKOSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493969366 1064049617 /nfs/dbraw/zinc/04/96/17/1064049617.db2.gz ZPXLKGNUWBLAIR-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001494210228 1064174571 /nfs/dbraw/zinc/17/45/71/1064174571.db2.gz DJLFJDNVOQAYFD-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001494214522 1064177882 /nfs/dbraw/zinc/17/78/82/1064177882.db2.gz LCIJKCKSWGVJPK-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001567627693 1064289850 /nfs/dbraw/zinc/28/98/50/1064289850.db2.gz YENSUPQNEHGQNR-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567701242 1064357512 /nfs/dbraw/zinc/35/75/12/1064357512.db2.gz FOIGUHIBRHGCIJ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567712779 1064371177 /nfs/dbraw/zinc/37/11/77/1064371177.db2.gz QIFWPTIZNUWPMC-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567713199 1064371605 /nfs/dbraw/zinc/37/16/05/1064371605.db2.gz YSYMDTXNZROACL-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001567729677 1064381325 /nfs/dbraw/zinc/38/13/25/1064381325.db2.gz LRAWMDFXYAVBEH-HZPDHXFCSA-N 2 0 318.465 2.477 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567976717 1064573671 /nfs/dbraw/zinc/57/36/71/1064573671.db2.gz IWGJDOKSJWYQGK-YOEHRIQHSA-N 2 0 313.461 2.259 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001568004476 1064589467 /nfs/dbraw/zinc/58/94/67/1064589467.db2.gz AOBFVRDZINFNHK-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001568057992 1064623108 /nfs/dbraw/zinc/62/31/08/1064623108.db2.gz ZKXOIFWRJDUTCS-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001568120051 1064656901 /nfs/dbraw/zinc/65/69/01/1064656901.db2.gz MMVZYDDHVXGXNB-YJBOKZPZSA-N 2 0 315.461 2.309 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001568253085 1064730045 /nfs/dbraw/zinc/73/00/45/1064730045.db2.gz XIOKAKWGSWSWFK-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001568346782 1064794052 /nfs/dbraw/zinc/79/40/52/1064794052.db2.gz NXQAVAQNXAUXCB-WMZOPIPTSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001568391742 1064831458 /nfs/dbraw/zinc/83/14/58/1064831458.db2.gz AVJCVMMOTKZJIK-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001568467127 1064890410 /nfs/dbraw/zinc/89/04/10/1064890410.db2.gz NTKHEVVWNMINLX-QGZVFWFLSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001495414619 1064891194 /nfs/dbraw/zinc/89/11/94/1064891194.db2.gz CZUWFOZPOCVHGZ-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001495433144 1064902823 /nfs/dbraw/zinc/90/28/23/1064902823.db2.gz UGHVWDAZOARICB-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001568487733 1064906724 /nfs/dbraw/zinc/90/67/24/1064906724.db2.gz NIJHPHSNFYVSRX-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001495519880 1064961215 /nfs/dbraw/zinc/96/12/15/1064961215.db2.gz JROCHFXQICVDTF-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)Cn2ccnc2)CC1 ZINC001495538793 1064972814 /nfs/dbraw/zinc/97/28/14/1064972814.db2.gz GJVLYHMDOQDBDO-MRXNPFEDSA-N 2 0 318.465 2.456 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001569174856 1065340774 /nfs/dbraw/zinc/34/07/74/1065340774.db2.gz NGEICBPJYODOGA-SJORKVTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569359568 1065454453 /nfs/dbraw/zinc/45/44/53/1065454453.db2.gz IIMMCTUWZVLTFV-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001569668932 1065660710 /nfs/dbraw/zinc/66/07/10/1065660710.db2.gz DFOFDUFOVLBAAH-AEFFLSMTSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569828216 1065749338 /nfs/dbraw/zinc/74/93/38/1065749338.db2.gz HRCQMUSMGLBGDN-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001570106922 1065926544 /nfs/dbraw/zinc/92/65/44/1065926544.db2.gz MUNOGXAIHFEYCL-INIZCTEOSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497400784 1066073934 /nfs/dbraw/zinc/07/39/34/1066073934.db2.gz KVGARTWMFJGLSM-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CC1CC[NH+](C2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)CC1 ZINC001576728968 1066673044 /nfs/dbraw/zinc/67/30/44/1066673044.db2.gz AOYDTSRGRPUKLL-OFLPRAFFSA-N 2 0 320.481 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001498658763 1066825501 /nfs/dbraw/zinc/82/55/01/1066825501.db2.gz QXIDIUVTPGMARM-OAHLLOKOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267070175 1078545466 /nfs/dbraw/zinc/54/54/66/1078545466.db2.gz JOGYYNNYTMKKPF-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267089051 1078561968 /nfs/dbraw/zinc/56/19/68/1078561968.db2.gz BBXIENBVTPSCIP-MSOLQXFVSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001483616271 1078628757 /nfs/dbraw/zinc/62/87/57/1078628757.db2.gz CEJUTKOUMRIRIY-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001570544594 1067996779 /nfs/dbraw/zinc/99/67/79/1067996779.db2.gz ZJVWWDNSDRLZDX-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267172201 1078636850 /nfs/dbraw/zinc/63/68/50/1078636850.db2.gz YNDXAZJODACJLL-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001570691557 1068070887 /nfs/dbraw/zinc/07/08/87/1068070887.db2.gz WPUILQIGZRDTBH-QGZVFWFLSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267181744 1078645800 /nfs/dbraw/zinc/64/58/00/1078645800.db2.gz NBHXLRBAWRGYAT-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001570823091 1068128668 /nfs/dbraw/zinc/12/86/68/1068128668.db2.gz QSQOARXIYKJMAH-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001571017123 1068173891 /nfs/dbraw/zinc/17/38/91/1068173891.db2.gz YFBCZWYXGPRILU-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267293142 1078738868 /nfs/dbraw/zinc/73/88/68/1078738868.db2.gz MNMHDLRKPWFTAK-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]CC(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC001521482744 1069246299 /nfs/dbraw/zinc/24/62/99/1069246299.db2.gz SMJFPDLUHGZXON-MRXNPFEDSA-N 2 0 315.461 2.235 20 30 DEEDRP C#CCOc1ccc(C[NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001574735407 1069248913 /nfs/dbraw/zinc/24/89/13/1069248913.db2.gz HRLSLMCNHAFJIG-QGZVFWFLSA-N 2 0 314.429 2.089 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001542359339 1072457539 /nfs/dbraw/zinc/45/75/39/1072457539.db2.gz DXMQGVFHVNBZLO-UHFFFAOYSA-N 2 0 315.461 2.057 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267496195 1078921679 /nfs/dbraw/zinc/92/16/79/1078921679.db2.gz OOZIJYPORQTOQQ-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001267520552 1078951065 /nfs/dbraw/zinc/95/10/65/1078951065.db2.gz MFUFJRFXGCAXGO-ROUUACIJSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267547586 1078979329 /nfs/dbraw/zinc/97/93/29/1078979329.db2.gz PMSNWBJJSOORSI-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267566553 1079000662 /nfs/dbraw/zinc/00/06/62/1079000662.db2.gz GGSYRIKZIRRISN-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593988 1079109188 /nfs/dbraw/zinc/10/91/88/1079109188.db2.gz WMZUIDOLXQAKSP-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267595307 1079111889 /nfs/dbraw/zinc/11/18/89/1079111889.db2.gz HISXPJVLVUWCMV-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001649462378 1079130682 /nfs/dbraw/zinc/13/06/82/1079130682.db2.gz VSXYGWMVQUAMTL-MRXNPFEDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832224 1079142442 /nfs/dbraw/zinc/14/24/42/1079142442.db2.gz FHPUQTNQMCRMIJ-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001483946924 1079202430 /nfs/dbraw/zinc/20/24/30/1079202430.db2.gz MATDSPULYSSEPY-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCCC=C)CC1 ZINC001483987638 1079227275 /nfs/dbraw/zinc/22/72/75/1079227275.db2.gz YBBNAWUIPMTFFF-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001646806187 1074627551 /nfs/dbraw/zinc/62/75/51/1074627551.db2.gz MKFNRVMASYEIET-DZGCQCFKSA-N 2 0 313.873 2.085 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001565835645 1075193390 /nfs/dbraw/zinc/19/33/90/1075193390.db2.gz QSIXKMRENLCGDB-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1CC ZINC001566016464 1075216947 /nfs/dbraw/zinc/21/69/47/1075216947.db2.gz OOGHFCORUXGPDX-DLBZAZTESA-N 2 0 319.493 2.242 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001566048386 1075220508 /nfs/dbraw/zinc/22/05/08/1075220508.db2.gz LPGZBUIEBNBQFA-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566066997 1075223642 /nfs/dbraw/zinc/22/36/42/1075223642.db2.gz BETIVIOESXTBRV-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001566947931 1075396141 /nfs/dbraw/zinc/39/61/41/1075396141.db2.gz NBJPYYYIEDBDFT-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CCCC)CC2)CC1 ZINC001566991668 1075410614 /nfs/dbraw/zinc/41/06/14/1075410614.db2.gz GAZPIUKTZIYJQL-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267901107 1079586963 /nfs/dbraw/zinc/58/69/63/1079586963.db2.gz ULHYGGWHKZZHLK-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001484574039 1079666452 /nfs/dbraw/zinc/66/64/52/1079666452.db2.gz NOQITYVEBSKMNL-QAQDUYKDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267994966 1079673172 /nfs/dbraw/zinc/67/31/72/1079673172.db2.gz ZKPLJYRSGLJQDS-CYBMUJFWSA-N 2 0 300.406 2.174 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001484769377 1079786760 /nfs/dbraw/zinc/78/67/60/1079786760.db2.gz TUFHQQMSXXKHAI-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001484772232 1079787642 /nfs/dbraw/zinc/78/76/42/1079787642.db2.gz ORIKTOSKFUTHHR-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001484917450 1079852125 /nfs/dbraw/zinc/85/21/25/1079852125.db2.gz GZMQAULMAUXJOX-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCCC1 ZINC001268037704 1079873538 /nfs/dbraw/zinc/87/35/38/1079873538.db2.gz LJILETODGFRRRN-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481453059 1079880558 /nfs/dbraw/zinc/88/05/58/1079880558.db2.gz QNGUVMFOYPOMKL-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001268124868 1080092337 /nfs/dbraw/zinc/09/23/37/1080092337.db2.gz ZCAMTWXKFVRKCU-FUHWJXTLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001656546629 1080101497 /nfs/dbraw/zinc/10/14/97/1080101497.db2.gz LTNWDHJGGOLCSU-OWCLPIDISA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001656831129 1080126877 /nfs/dbraw/zinc/12/68/77/1080126877.db2.gz WSDABPPFKMTQRY-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304547 1080141269 /nfs/dbraw/zinc/14/12/69/1080141269.db2.gz XOYMRNGIQQWPSS-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+](C)[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485322609 1080149604 /nfs/dbraw/zinc/14/96/04/1080149604.db2.gz NGJINQBMELPASD-HNNXBMFYSA-N 2 0 307.482 2.099 20 30 DEEDRP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC(C)(C)C1 ZINC001657106665 1080157389 /nfs/dbraw/zinc/15/73/89/1080157389.db2.gz ZGWMARDJNZHXTO-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001485455401 1080217341 /nfs/dbraw/zinc/21/73/41/1080217341.db2.gz VKYQAWDXRWLKQI-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001485539050 1080285898 /nfs/dbraw/zinc/28/58/98/1080285898.db2.gz GUIRLAXKPIJRHE-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268334232 1080333783 /nfs/dbraw/zinc/33/37/83/1080333783.db2.gz WVDNTJQDOCVWGA-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268373710 1080385589 /nfs/dbraw/zinc/38/55/89/1080385589.db2.gz RKKYHOQRACPCKU-RDJZCZTQSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001660798145 1080397559 /nfs/dbraw/zinc/39/75/59/1080397559.db2.gz MHEJVQXIPQUNPX-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP 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 1080517890 /nfs/dbraw/zinc/51/78/90/1080517890.db2.gz BPOBKWUYRODDBM-XSLAGTTESA-N 2 0 319.493 2.072 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458303 1080523229 /nfs/dbraw/zinc/52/32/29/1080523229.db2.gz KRLLFRZHZFWFAV-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001661925792 1080545378 /nfs/dbraw/zinc/54/53/78/1080545378.db2.gz NOQZTPQTXVGUTO-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001662839956 1080666675 /nfs/dbraw/zinc/66/66/75/1080666675.db2.gz ZGFWZIBABGROTR-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001482046253 1080742495 /nfs/dbraw/zinc/74/24/95/1080742495.db2.gz JLDHURLQGLBVDF-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663548655 1080771749 /nfs/dbraw/zinc/77/17/49/1080771749.db2.gz UYESRBSPXGVNSO-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001665872010 1081091479 /nfs/dbraw/zinc/09/14/79/1081091479.db2.gz MYVWIIMESCHNCK-KRWDZBQOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001666333646 1081144596 /nfs/dbraw/zinc/14/45/96/1081144596.db2.gz ZUJCWSWMSFFICB-UHFFFAOYSA-N 2 0 315.461 2.453 20 30 DEEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001666547045 1081160252 /nfs/dbraw/zinc/16/02/52/1081160252.db2.gz NMFMHRCYICVMLU-DLBZAZTESA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001666577468 1081163900 /nfs/dbraw/zinc/16/39/00/1081163900.db2.gz FCTFKSHXPVJMRY-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001269425347 1081246485 /nfs/dbraw/zinc/24/64/85/1081246485.db2.gz PRGXNHKPBSHOCK-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001667695304 1081275418 /nfs/dbraw/zinc/27/54/18/1081275418.db2.gz VZNCGDHBYYKUNB-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001667695303 1081275485 /nfs/dbraw/zinc/27/54/85/1081275485.db2.gz VZNCGDHBYYKUNB-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001269558140 1081290467 /nfs/dbraw/zinc/29/04/67/1081290467.db2.gz WXDWYVVJLXDQKD-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000950367706 1081318849 /nfs/dbraw/zinc/31/88/49/1081318849.db2.gz NOMZESSXCSHGNA-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001669974112 1081485752 /nfs/dbraw/zinc/48/57/52/1081485752.db2.gz QTLJJUXLMVAWGS-MSOLQXFVSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001270369182 1081511266 /nfs/dbraw/zinc/51/12/66/1081511266.db2.gz MPOLSMTYOGYNLS-IBGZPJMESA-N 2 0 323.440 2.172 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001270415603 1081522126 /nfs/dbraw/zinc/52/21/26/1081522126.db2.gz VOIQHCGKWIZGGS-MRXNPFEDSA-N 2 0 305.466 2.065 20 30 DEEDRP 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 1081587566 /nfs/dbraw/zinc/58/75/66/1081587566.db2.gz MTXLXGBSPRFDCD-TXTZMMAHSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001673496169 1081775684 /nfs/dbraw/zinc/77/56/84/1081775684.db2.gz HXHOKUJMRFQWGS-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001673986439 1081821112 /nfs/dbraw/zinc/82/11/12/1081821112.db2.gz YHNMDPLYRFXYOR-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674463456 1081874626 /nfs/dbraw/zinc/87/46/26/1081874626.db2.gz MPQJUXXMIAMHPH-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271017718 1081877618 /nfs/dbraw/zinc/87/76/18/1081877618.db2.gz VJWHQGUHEXZPEA-IBGZPJMESA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001674506236 1081882911 /nfs/dbraw/zinc/88/29/11/1081882911.db2.gz WDRUFLYUHGITOR-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001271665158 1082104530 /nfs/dbraw/zinc/10/45/30/1082104530.db2.gz IQFFRMJBOUSVNS-IAGOWNOFSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001271777090 1082151776 /nfs/dbraw/zinc/15/17/76/1082151776.db2.gz FEHQORFPFAVRCP-ULQDDVLXSA-N 2 0 307.482 2.026 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001266658880 1082254295 /nfs/dbraw/zinc/25/42/95/1082254295.db2.gz JMXXPQCEQKKMDO-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724431 1082305754 /nfs/dbraw/zinc/30/57/54/1082305754.db2.gz OERNEGDTGHAWBX-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107457204 1083410544 /nfs/dbraw/zinc/41/05/44/1083410544.db2.gz JNAQMHYOMIVTHS-CRAIPNDOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543912 1083472002 /nfs/dbraw/zinc/47/20/02/1083472002.db2.gz CNSYTGODLAUSIX-YQVWRLOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001276601434 1083510121 /nfs/dbraw/zinc/51/01/21/1083510121.db2.gz OBTANKGDLMHFSE-OAHLLOKOSA-N 2 0 304.438 2.066 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001276672475 1083543229 /nfs/dbraw/zinc/54/32/29/1083543229.db2.gz IQRSQZDQSOLJIJ-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001272804584 1084085577 /nfs/dbraw/zinc/08/55/77/1084085577.db2.gz CXNQDFKUOONSRJ-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001491222924 1084166487 /nfs/dbraw/zinc/16/64/87/1084166487.db2.gz SZWDLZVRUJBGGV-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001277865121 1084183979 /nfs/dbraw/zinc/18/39/79/1084183979.db2.gz XQMXBBDPHNBUQI-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491281834 1084205663 /nfs/dbraw/zinc/20/56/63/1084205663.db2.gz LQKPKNNTKAFTEL-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235321877 1084386931 /nfs/dbraw/zinc/38/69/31/1084386931.db2.gz UTWJVNDNMCTRQJ-JKSUJKDBSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235334143 1084393696 /nfs/dbraw/zinc/39/36/96/1084393696.db2.gz HETXVTBJULRXQY-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235631521 1084481511 /nfs/dbraw/zinc/48/15/11/1084481511.db2.gz AGROFNTXAXWEKS-DLBZAZTESA-N 2 0 316.449 2.026 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC000964030676 1085154317 /nfs/dbraw/zinc/15/43/17/1085154317.db2.gz UWGSAMSRHKMUME-HGWOHTHGSA-N 2 0 317.477 2.206 20 30 DEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960275850 1085177568 /nfs/dbraw/zinc/17/75/68/1085177568.db2.gz OWVSBUQZLVQZCB-FGTMMUONSA-N 2 0 313.445 2.029 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961443896 1085735474 /nfs/dbraw/zinc/73/54/74/1085735474.db2.gz XZZXYNABBAHYJB-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273052802 1086092494 /nfs/dbraw/zinc/09/24/94/1086092494.db2.gz PUMZGXLQHCKVND-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001671060223 1086364446 /nfs/dbraw/zinc/36/44/46/1086364446.db2.gz ZBDHIFFDAAIOGU-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000963902539 1086591471 /nfs/dbraw/zinc/59/14/71/1086591471.db2.gz LHZNYWAQSWFQSH-KLAILNCOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037028 1088590030 /nfs/dbraw/zinc/59/00/30/1088590030.db2.gz CVIYZGFWNVZGTO-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001080998849 1089272720 /nfs/dbraw/zinc/27/27/20/1089272720.db2.gz PVSOXTHUIMWKES-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001082943637 1090109529 /nfs/dbraw/zinc/10/95/29/1090109529.db2.gz UHDWGJPQZVUYCA-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085033243 1090604582 /nfs/dbraw/zinc/60/45/82/1090604582.db2.gz XGOPXXRODROSHN-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001274398423 1091223653 /nfs/dbraw/zinc/22/36/53/1091223653.db2.gz NQAOGAWAEDCNDT-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCN(CC[NH+]1CCC2(CC[N@H+](C)C2)CC1)C(=O)OCC ZINC001274927399 1091476839 /nfs/dbraw/zinc/47/68/39/1091476839.db2.gz LZVWRCCYWPYQEX-UHFFFAOYSA-N 2 0 309.454 2.049 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001274949954 1091488329 /nfs/dbraw/zinc/48/83/29/1091488329.db2.gz FMMCDSXPCKXHCM-SJLPKXTDSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001275233087 1091626699 /nfs/dbraw/zinc/62/66/99/1091626699.db2.gz NQPHCLFHSTUOSI-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001273475819 1091869031 /nfs/dbraw/zinc/86/90/31/1091869031.db2.gz UBDJWUTYSXOOPH-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001273554512 1091921022 /nfs/dbraw/zinc/92/10/22/1091921022.db2.gz WZOOOAIYEYZIHB-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948767717 1091924808 /nfs/dbraw/zinc/92/48/08/1091924808.db2.gz ZRNIZCODWHIATH-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001275804612 1092159549 /nfs/dbraw/zinc/15/95/49/1092159549.db2.gz GHMBVSBOIBNTLL-IAGOWNOFSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCCC[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001275976058 1092420754 /nfs/dbraw/zinc/42/07/54/1092420754.db2.gz YEEWJDCFHARANZ-UHFFFAOYSA-N 2 0 300.450 2.084 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@H](C)CCC=C)CC1 ZINC001276011055 1092505815 /nfs/dbraw/zinc/50/58/15/1092505815.db2.gz KZYHYBVHJFXQDG-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH2+]C[C@]1(NC(=O)CCC[NH+](C)C)CCCC[C@H]1C ZINC001495318814 1093158680 /nfs/dbraw/zinc/15/86/80/1093158680.db2.gz FUFITEZHZLMQLX-SJLPKXTDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001490586583 1093432235 /nfs/dbraw/zinc/43/22/35/1093432235.db2.gz HUNYVQRIUKCMLN-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001281974663 1139834516 /nfs/dbraw/zinc/83/45/16/1139834516.db2.gz GKJPHYYOIJTEOG-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001318541959 1140361999 /nfs/dbraw/zinc/36/19/99/1140361999.db2.gz PUEFSINMBVIKAU-CQSZACIVSA-N 2 0 300.406 2.317 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001319093428 1140502675 /nfs/dbraw/zinc/50/26/75/1140502675.db2.gz USKGSFNRAPSWBJ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001319890675 1140800838 /nfs/dbraw/zinc/80/08/38/1140800838.db2.gz PLYQTIIXQVZVMI-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245981427 1140841228 /nfs/dbraw/zinc/84/12/28/1140841228.db2.gz BFEKOLIDXPPJLU-ROUUACIJSA-N 2 0 323.525 2.338 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245982212 1140841604 /nfs/dbraw/zinc/84/16/04/1140841604.db2.gz JDZMXYAKFIFWOZ-BSDSXHPESA-N 2 0 312.498 2.455 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+][C@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001246003013 1140845175 /nfs/dbraw/zinc/84/51/75/1140845175.db2.gz WPHMZYIYDMKTQW-YJBOKZPZSA-N 2 0 322.424 2.020 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246024323 1140848846 /nfs/dbraw/zinc/84/88/46/1140848846.db2.gz UTAHIABLYQNQOX-DLBZAZTESA-N 2 0 300.487 2.274 20 30 DEEDRP Cc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H]2CCN[C@H](C#N)C2)CC[NH2+]CC1 ZINC001246123818 1140863745 /nfs/dbraw/zinc/86/37/45/1140863745.db2.gz FNUNAAOEZLWKSQ-GJYPPUQNSA-N 2 0 324.472 2.295 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC[NH2+]CC2)CCN1 ZINC001246402403 1140893966 /nfs/dbraw/zinc/89/39/66/1140893966.db2.gz YDVYSEJEJMWQOQ-RLFYNMQTSA-N 2 0 316.424 2.100 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278461218 1141030254 /nfs/dbraw/zinc/03/02/54/1141030254.db2.gz VJTPDGCGUXHCIR-JZXOWHBKSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001323022892 1141802663 /nfs/dbraw/zinc/80/26/63/1141802663.db2.gz RTCGRUNAMQMPHC-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001323162506 1141819616 /nfs/dbraw/zinc/81/96/16/1141819616.db2.gz QUQOMOCKKJOIPR-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323637671 1141872453 /nfs/dbraw/zinc/87/24/53/1141872453.db2.gz MGQPDAUNRWXKLY-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH+](CC1CC1)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001323736392 1141882232 /nfs/dbraw/zinc/88/22/32/1141882232.db2.gz NMECOXPCTDIXFQ-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001324071189 1142000527 /nfs/dbraw/zinc/00/05/27/1142000527.db2.gz FEBWVBJMHOQPPQ-ZBFHGGJFSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001324340041 1142058253 /nfs/dbraw/zinc/05/82/53/1142058253.db2.gz OZIFVYLRHKMODQ-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCCC[C@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001253240702 1142856647 /nfs/dbraw/zinc/85/66/47/1142856647.db2.gz PJGFJWRVDFMODU-SFHVURJKSA-N 2 0 311.514 2.053 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254514327 1143176507 /nfs/dbraw/zinc/17/65/07/1143176507.db2.gz KIOBBQPQSRIYMJ-MRXNPFEDSA-N 2 0 309.454 2.095 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001278963394 1143866385 /nfs/dbraw/zinc/86/63/85/1143866385.db2.gz ALEFRILWNFSDBH-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC=C)C(C)(C)C)CC1 ZINC001279033831 1143949189 /nfs/dbraw/zinc/94/91/89/1143949189.db2.gz FYKQWAQUNAQJAA-QGZVFWFLSA-N 2 0 319.493 2.028 20 30 DEEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]3O[C@@H](C(C)C)O[C@@H]3C[NH3+])C[C@H](C1)C2 ZINC001257888140 1143957991 /nfs/dbraw/zinc/95/79/91/1143957991.db2.gz YOCMUNWGOKSUDO-PQURQNOXSA-N 2 0 308.466 2.436 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001263870496 1144417545 /nfs/dbraw/zinc/41/75/45/1144417545.db2.gz ZTSWCPHESVXURS-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001265306045 1144689418 /nfs/dbraw/zinc/68/94/18/1144689418.db2.gz ISTGIHVYJHMEHE-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265508791 1144708182 /nfs/dbraw/zinc/70/81/82/1144708182.db2.gz LPTPAGOMPFABNM-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523915 1144708918 /nfs/dbraw/zinc/70/89/18/1144708918.db2.gz QVRUGVJZAYKHGJ-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001265670287 1144725314 /nfs/dbraw/zinc/72/53/14/1144725314.db2.gz MXQZGNSEDOFRRI-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001265684258 1144727438 /nfs/dbraw/zinc/72/74/38/1144727438.db2.gz QUYMCUVVCIRZKZ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265940097 1144764266 /nfs/dbraw/zinc/76/42/66/1144764266.db2.gz KHAWCOGRYVAQGH-ZWKOTPCHSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265982599 1144776432 /nfs/dbraw/zinc/77/64/32/1144776432.db2.gz IAHXRMHAILNFNI-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001266041450 1144798502 /nfs/dbraw/zinc/79/85/02/1144798502.db2.gz VRJWKCCBHFBDSN-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266215470 1144815344 /nfs/dbraw/zinc/81/53/44/1144815344.db2.gz KTCFPOPJGJPIQQ-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001266219080 1144815531 /nfs/dbraw/zinc/81/55/31/1144815531.db2.gz VTWJBFVAYIWNLA-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001279164621 1144819021 /nfs/dbraw/zinc/81/90/21/1144819021.db2.gz TYVJRIVCMABYCA-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]cn1 ZINC001279567854 1144824691 /nfs/dbraw/zinc/82/46/91/1144824691.db2.gz ZVAOTSGXRMBQTC-SJORKVTESA-N 2 0 316.449 2.374 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889900 1144861576 /nfs/dbraw/zinc/86/15/76/1144861576.db2.gz RWFGWCPCJFCRJD-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001281035449 1144869412 /nfs/dbraw/zinc/86/94/12/1144869412.db2.gz ATRKRJJMPVNLHS-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281565899 1144897785 /nfs/dbraw/zinc/89/77/85/1144897785.db2.gz AMOQFOCHBWMIMA-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001282667259 1145119664 /nfs/dbraw/zinc/11/96/64/1145119664.db2.gz PHOOMLPDRXMQJM-JKSUJKDBSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001282992733 1145227850 /nfs/dbraw/zinc/22/78/50/1145227850.db2.gz MXZXOGIDKGKPQY-QRQLOZEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC001353325104 1151824001 /nfs/dbraw/zinc/82/40/01/1151824001.db2.gz AJBUAULZISLTPE-UHFFFAOYSA-N 2 0 322.497 2.043 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001316626067 1145369225 /nfs/dbraw/zinc/36/92/25/1145369225.db2.gz ZAVLNLDQWSCVPL-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001283702966 1145602381 /nfs/dbraw/zinc/60/23/81/1145602381.db2.gz PIMRHHSFLSJMEV-AEFFLSMTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001283940768 1145719469 /nfs/dbraw/zinc/71/94/69/1145719469.db2.gz TVOKRUJHUILHLA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284001293 1145744640 /nfs/dbraw/zinc/74/46/40/1145744640.db2.gz PVGVKKZSQGVFCM-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001284846344 1145936899 /nfs/dbraw/zinc/93/68/99/1145936899.db2.gz OMROPDQFBFSXPD-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001491829149 1146905828 /nfs/dbraw/zinc/90/58/28/1146905828.db2.gz GCCANKWMAGOMHT-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480680576 1147000259 /nfs/dbraw/zinc/00/02/59/1147000259.db2.gz NAWMANZTACYJLO-OAHLLOKOSA-N 2 0 313.873 2.053 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CN(CC#Cc1ccccc1)CC[NH+](C)C ZINC001308742484 1147485146 /nfs/dbraw/zinc/48/51/46/1147485146.db2.gz GVDQKJCWDKSCRT-FQEVSTJZSA-N 2 0 313.489 2.386 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCCC)CC1 ZINC001317513195 1147542462 /nfs/dbraw/zinc/54/24/62/1147542462.db2.gz ILNYGVDLYZNVAZ-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741976 1147553019 /nfs/dbraw/zinc/55/30/19/1147553019.db2.gz CVEXVDSFLFQBFH-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001314492432 1147575466 /nfs/dbraw/zinc/57/54/66/1147575466.db2.gz RTVWRCCFQKITMT-MSOLQXFVSA-N 2 0 319.493 2.358 20 30 DEEDRP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001317007643 1147647473 /nfs/dbraw/zinc/64/74/73/1147647473.db2.gz WZTSDHGLEBATLO-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317382704 1147699876 /nfs/dbraw/zinc/69/98/76/1147699876.db2.gz UJHPNIIVJABWAD-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001367761982 1147739144 /nfs/dbraw/zinc/73/91/44/1147739144.db2.gz WOLATPFOLYJLAX-AWEZNQCLSA-N 2 0 323.868 2.251 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1 ZINC001317722489 1147747450 /nfs/dbraw/zinc/74/74/50/1147747450.db2.gz UYYLLPFQDIZXNA-KRWDZBQOSA-N 2 0 315.461 2.351 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001325467313 1147919944 /nfs/dbraw/zinc/91/99/44/1147919944.db2.gz RPGICWBKESFZJS-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001325643942 1147974097 /nfs/dbraw/zinc/97/40/97/1147974097.db2.gz SBRIKVXIELWXHF-BJWYYQGGSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001326271758 1148066877 /nfs/dbraw/zinc/06/68/77/1148066877.db2.gz CDKQCJGXQJRWCG-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001326522158 1148128011 /nfs/dbraw/zinc/12/80/11/1148128011.db2.gz UUXVPLFKTPJDRM-BZSNNMDCSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001368101043 1148221805 /nfs/dbraw/zinc/22/18/05/1148221805.db2.gz DVXFVDOUPODUPZ-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001326760402 1148235593 /nfs/dbraw/zinc/23/55/93/1148235593.db2.gz RNMUFNPUGVTKIK-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000194262523 186274351 /nfs/dbraw/zinc/27/43/51/186274351.db2.gz BNWMXQNIPHGBQO-VQIMIIECSA-N 2 0 314.477 2.481 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)C(C)C ZINC000581240298 357154042 /nfs/dbraw/zinc/15/40/42/357154042.db2.gz KWJMUAPIBXBCCY-IAGOWNOFSA-N 2 0 322.497 2.065 20 30 DEEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662083683 540327031 /nfs/dbraw/zinc/32/70/31/540327031.db2.gz IRZHYUUXMMSENK-CALCHBBNSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCC[NH2+]1 ZINC000662689613 540333626 /nfs/dbraw/zinc/33/36/26/540333626.db2.gz UWEGLBQDZILQQC-GOSISDBHSA-N 2 0 307.482 2.265 20 30 DEEDRP C[C@H](CCC#N)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000602451874 360379870 /nfs/dbraw/zinc/37/98/70/360379870.db2.gz BJBTUJWCEMIXDX-SQNIBIBYSA-N 2 0 306.498 2.417 20 30 DEEDRP N#CC1(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000619620818 363842888 /nfs/dbraw/zinc/84/28/88/363842888.db2.gz XANDYEHTIDFLKL-UHFFFAOYSA-N 2 0 314.433 2.304 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451532268 243076875 /nfs/dbraw/zinc/07/68/75/243076875.db2.gz KQUGHIOFXCHFEM-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424143873 296313554 /nfs/dbraw/zinc/31/35/54/296313554.db2.gz GSQCUWJCJNYSAU-BRWVUGGUSA-N 2 0 320.481 2.121 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000304811486 285340072 /nfs/dbraw/zinc/34/00/72/285340072.db2.gz XGBUKWKKURDHEK-GUTXKFCHSA-N 2 0 324.494 2.070 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000150979512 402008880 /nfs/dbraw/zinc/00/88/80/402008880.db2.gz MVYATEZPXOHECA-INIZCTEOSA-N 2 0 305.422 2.013 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC000104160401 402199492 /nfs/dbraw/zinc/19/94/92/402199492.db2.gz BUTUJTPTYHVZFJ-CQSZACIVSA-N 2 0 322.453 2.407 20 30 DEEDRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271937690 402885756 /nfs/dbraw/zinc/88/57/56/402885756.db2.gz KNKLIHYKAOWQMM-HNNXBMFYSA-N 2 0 318.440 2.376 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(CC#N)cc1 ZINC000342724055 403323014 /nfs/dbraw/zinc/32/30/14/403323014.db2.gz DFFUGWGLOJTWMF-QRVBRYPASA-N 2 0 313.445 2.436 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000295115393 403763856 /nfs/dbraw/zinc/76/38/56/403763856.db2.gz XVRJSFYLCXJWFC-OAHLLOKOSA-N 2 0 315.417 2.249 20 30 DEEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414305932 404570621 /nfs/dbraw/zinc/57/06/21/404570621.db2.gz NUVCVERDCLLQBM-ZWKOTPCHSA-N 2 0 313.445 2.295 20 30 DEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000375888367 404766259 /nfs/dbraw/zinc/76/62/59/404766259.db2.gz GNZLDPIWTUHWRW-LJQANCHMSA-N 2 0 312.461 2.159 20 30 DEEDRP C=CC[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414690586 404709591 /nfs/dbraw/zinc/70/95/91/404709591.db2.gz HTYBDFTZQDRQLN-QGZVFWFLSA-N 2 0 307.482 2.252 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358797779 404776236 /nfs/dbraw/zinc/77/62/36/404776236.db2.gz XTXQLUZFVYDXRN-HZPDHXFCSA-N 2 0 322.497 2.199 20 30 DEEDRP C[C@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+](C)Cc1ccccc1 ZINC000424155992 405025040 /nfs/dbraw/zinc/02/50/40/405025040.db2.gz OMLRALODKHCEAC-WBVHZDCISA-N 2 0 316.449 2.034 20 30 DEEDRP C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424171053 405028419 /nfs/dbraw/zinc/02/84/19/405028419.db2.gz IRQVPSDHTXWELW-LSDHHAIUSA-N 2 0 322.840 2.080 20 30 DEEDRP C=CC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000458989000 405679731 /nfs/dbraw/zinc/67/97/31/405679731.db2.gz OTJVMBQIJGIKSD-MRXNPFEDSA-N 2 0 324.513 2.256 20 30 DEEDRP C=C(C)COCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987868 405693367 /nfs/dbraw/zinc/69/33/67/405693367.db2.gz HOLXUKSFERQLEJ-WMZOPIPTSA-N 2 0 302.418 2.425 20 30 DEEDRP C=C(CC)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459085704 405737239 /nfs/dbraw/zinc/73/72/39/405737239.db2.gz VROFSGPBNSWSQV-INIZCTEOSA-N 2 0 310.486 2.010 20 30 DEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000571624050 406544400 /nfs/dbraw/zinc/54/44/00/406544400.db2.gz HUQJAXXXKZYOSX-CRAIPNDOSA-N 2 0 313.445 2.425 20 30 DEEDRP CN(C)C(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245698596 225222291 /nfs/dbraw/zinc/22/22/91/225222291.db2.gz MYSJQDHVHILSFD-SMDDNHRTSA-N 2 0 312.820 2.348 20 30 DEEDRP C[NH+](C)CCCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266981558 225341295 /nfs/dbraw/zinc/34/12/95/225341295.db2.gz MYCGBGIHEVBZKN-UHFFFAOYSA-N 2 0 316.371 2.452 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897656 782028162 /nfs/dbraw/zinc/02/81/62/782028162.db2.gz RRUPPSZPBAORIB-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCC[NH2+]1 ZINC000662680724 425710158 /nfs/dbraw/zinc/71/01/58/425710158.db2.gz WNOPUKSREAGWEH-AEFFLSMTSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCC[NH2+]1 ZINC000662692054 425714473 /nfs/dbraw/zinc/71/44/73/425714473.db2.gz VJAAEELRHFDULU-SFHVURJKSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 425715697 /nfs/dbraw/zinc/71/56/97/425715697.db2.gz RSJINNMWRNHOKJ-UIBIWLFHSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662730039 425723658 /nfs/dbraw/zinc/72/36/58/425723658.db2.gz ZEMVQBUBFMIYPC-SFHVURJKSA-N 2 0 307.482 2.457 20 30 DEEDRP C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)CN1CC[NH+](C)CC1 ZINC000353430375 274226248 /nfs/dbraw/zinc/22/62/48/274226248.db2.gz WTGFOLATARNCBD-KXBFYZLASA-N 2 0 312.461 2.019 20 30 DEEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423018529 275748981 /nfs/dbraw/zinc/74/89/81/275748981.db2.gz RJPQACGURVOKOV-YXJHDRRASA-N 2 0 302.418 2.017 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000236665481 337464198 /nfs/dbraw/zinc/46/41/98/337464198.db2.gz ZJCWNDAESHKONM-WMZOPIPTSA-N 2 0 307.482 2.191 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)cc1OC ZINC000264109138 533986572 /nfs/dbraw/zinc/98/65/72/533986572.db2.gz OHYAILMTVPSZPF-UHFFFAOYSA-N 2 0 308.426 2.018 20 30 DEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)NC[C@]1(C)CCCS1 ZINC000261962409 526412749 /nfs/dbraw/zinc/41/27/49/526412749.db2.gz KQBJUWMCUSTEHM-HNNXBMFYSA-N 2 0 312.527 2.312 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417541417 526592124 /nfs/dbraw/zinc/59/21/24/526592124.db2.gz REEGLPRXCFIAEV-WKILWMFISA-N 2 0 322.497 2.091 20 30 DEEDRP CC[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)N1CCc2ccccc21 ZINC000263233999 528809924 /nfs/dbraw/zinc/80/99/24/528809924.db2.gz IXZMIOPDEAWCSD-KRWDZBQOSA-N 2 0 300.450 2.355 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCCCC2)O1 ZINC000262357570 529100240 /nfs/dbraw/zinc/10/02/40/529100240.db2.gz JPIINMWTCYUMGQ-JKSUJKDBSA-N 2 0 322.497 2.257 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2ncccc2c1 ZINC000195293133 529101568 /nfs/dbraw/zinc/10/15/68/529101568.db2.gz DGKPJTKECZSSQZ-INIZCTEOSA-N 2 0 311.433 2.123 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000349038475 535594023 /nfs/dbraw/zinc/59/40/23/535594023.db2.gz SFKGZIZCGYKBBB-IBGZPJMESA-N 2 0 314.477 2.406 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001327883361 1148667581 /nfs/dbraw/zinc/66/75/81/1148667581.db2.gz TWDVJUNFANPTBT-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489863 625293549 /nfs/dbraw/zinc/29/35/49/625293549.db2.gz MKEWLGHYVZIJSF-OAHLLOKOSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663561 625321782 /nfs/dbraw/zinc/32/17/82/625321782.db2.gz XCSAGLHYNAQPKE-ZFWWWQNUSA-N 2 0 305.422 2.110 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025290076 625326360 /nfs/dbraw/zinc/32/63/60/625326360.db2.gz XPXXVBUZPYDOCT-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023633503 625362976 /nfs/dbraw/zinc/36/29/76/625362976.db2.gz ZGUYFFNOOHWBTK-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007620462 625416034 /nfs/dbraw/zinc/41/60/34/625416034.db2.gz QOYYXNCVYAVVAR-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763727 625427900 /nfs/dbraw/zinc/42/79/00/625427900.db2.gz ZPHONCYLXIFPSW-INIZCTEOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969836361 622941427 /nfs/dbraw/zinc/94/14/27/622941427.db2.gz LYYWDZUFYJWSJM-YJBOKZPZSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428641 623449692 /nfs/dbraw/zinc/44/96/92/623449692.db2.gz QKMOWEQKILSUOL-OAHLLOKOSA-N 2 0 315.461 2.027 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428640 623449835 /nfs/dbraw/zinc/44/98/35/623449835.db2.gz QKMOWEQKILSUOL-HNNXBMFYSA-N 2 0 315.461 2.027 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970804072 623692610 /nfs/dbraw/zinc/69/26/10/623692610.db2.gz OYEHNRFYPXJKGG-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970926624 623796237 /nfs/dbraw/zinc/79/62/37/623796237.db2.gz ADKCYIQFQDYVFA-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008549785 625718601 /nfs/dbraw/zinc/71/86/01/625718601.db2.gz GMTXSTZGTHMZHB-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3CO)CC2)cc1 ZINC000891620463 624497896 /nfs/dbraw/zinc/49/78/96/624497896.db2.gz ALPWLMMIYZHCEE-UHFFFAOYSA-N 2 0 322.412 2.158 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024761458 625042753 /nfs/dbraw/zinc/04/27/53/625042753.db2.gz GUMXEQNKKJEKFI-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957201 625117247 /nfs/dbraw/zinc/11/72/47/625117247.db2.gz MOJUZNTZDSJEHC-BBWFWOEESA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975401 625122641 /nfs/dbraw/zinc/12/26/41/625122641.db2.gz KWBCOUCJIPSCFL-APIJFGDWSA-N 2 0 313.873 2.096 20 30 DEEDRP 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 625151637 /nfs/dbraw/zinc/15/16/37/625151637.db2.gz SCLAPGMCFISDJK-DZVNLGKHSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972551098 625230433 /nfs/dbraw/zinc/23/04/33/625230433.db2.gz GFQLCCRKIPMCGK-QGZVFWFLSA-N 2 0 301.434 2.081 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396817 625252693 /nfs/dbraw/zinc/25/26/93/625252693.db2.gz WLJWYAFOMFQSCV-AWEZNQCLSA-N 2 0 321.490 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000020106 634729563 /nfs/dbraw/zinc/72/95/63/634729563.db2.gz KGELWFZQZIUQRR-SOUVJXGZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995791508 633122924 /nfs/dbraw/zinc/12/29/24/633122924.db2.gz HXKQNYHWPRFBRR-HZPDHXFCSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1(C)C ZINC000995842234 633126297 /nfs/dbraw/zinc/12/62/97/633126297.db2.gz TZUBZLKLUJGAQO-ARFHVFGLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000995919505 633139596 /nfs/dbraw/zinc/13/95/96/633139596.db2.gz RMLARZWKCVKETQ-IRXDYDNUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC1(C)C ZINC000996008580 633160848 /nfs/dbraw/zinc/16/08/48/633160848.db2.gz KWCMLHZDQNESBW-INIZCTEOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974679106 633231865 /nfs/dbraw/zinc/23/18/65/633231865.db2.gz GMGZTNQAZILJIH-CVEARBPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC1(C)C ZINC000996523182 633277503 /nfs/dbraw/zinc/27/75/03/633277503.db2.gz ATQCOMQHMOXSPB-MRXNPFEDSA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996669530 633343604 /nfs/dbraw/zinc/34/36/04/633343604.db2.gz GVZZLMQXDYRTBR-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000921521319 633579415 /nfs/dbraw/zinc/57/94/15/633579415.db2.gz LMEJSGIUNOXPBZ-UHFFFAOYSA-N 2 0 314.477 2.291 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997360592 633713364 /nfs/dbraw/zinc/71/33/64/633713364.db2.gz PCIBZKDEDXKCPY-OKILXGFUSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997362833 633715641 /nfs/dbraw/zinc/71/56/41/633715641.db2.gz CQCMHBPZFIJCHY-OAHLLOKOSA-N 2 0 313.873 2.194 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997586761 633886725 /nfs/dbraw/zinc/88/67/25/633886725.db2.gz JGYVQMWWHWQCJM-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998018593 634114889 /nfs/dbraw/zinc/11/48/89/634114889.db2.gz VUJAZCLTFMSLDC-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101098 634141771 /nfs/dbraw/zinc/14/17/71/634141771.db2.gz GDLVKVYZUAPNNR-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998187184 634163490 /nfs/dbraw/zinc/16/34/90/634163490.db2.gz DSCIQBBMSIRNRK-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001070025 635396471 /nfs/dbraw/zinc/39/64/71/635396471.db2.gz OIGVHDFOWYOXAR-KRWDZBQOSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001372268 635480441 /nfs/dbraw/zinc/48/04/41/635480441.db2.gz SFVHENNCHVLNOS-ROUUACIJSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981864955 635699060 /nfs/dbraw/zinc/69/90/60/635699060.db2.gz IUQANWOSKIUVOS-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002809510 635802121 /nfs/dbraw/zinc/80/21/21/635802121.db2.gz HFQLATMOUWSWQS-DOTOQJQBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002993895 635876965 /nfs/dbraw/zinc/87/69/65/635876965.db2.gz AYKTWKOXRLOYCY-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003142991 635915298 /nfs/dbraw/zinc/91/52/98/635915298.db2.gz FVMHNXHHEUDDFF-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554079 636263209 /nfs/dbraw/zinc/26/32/09/636263209.db2.gz UMMLQMCJDVEKTG-YTQUADARSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537250 636328946 /nfs/dbraw/zinc/32/89/46/636328946.db2.gz KOXMBPNIQGPCOC-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCn1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)nn1 ZINC000922846590 636438455 /nfs/dbraw/zinc/43/84/55/636438455.db2.gz NRJXTQIZAVTXEY-UHFFFAOYSA-N 2 0 303.454 2.351 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594841 636470232 /nfs/dbraw/zinc/47/02/32/636470232.db2.gz NGEGEUXHGXQAHI-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001005474364 636748611 /nfs/dbraw/zinc/74/86/11/636748611.db2.gz BYOFGBZPXAOHNQ-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005493899 636751245 /nfs/dbraw/zinc/75/12/45/636751245.db2.gz SYYPRRHJUHUUOF-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005640906 636803357 /nfs/dbraw/zinc/80/33/57/636803357.db2.gz UGGARLOVYSQCBM-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(C#N)c1 ZINC000894455728 637049691 /nfs/dbraw/zinc/04/96/91/637049691.db2.gz IRTZZKGVMVEZSU-INIZCTEOSA-N 2 0 320.506 2.468 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000923358471 637132907 /nfs/dbraw/zinc/13/29/07/637132907.db2.gz HMELWKOEDXBJNZ-CEXWTWQISA-N 2 0 313.445 2.303 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801570 639643317 /nfs/dbraw/zinc/64/33/17/639643317.db2.gz HAVCTOJTRXDYGY-IYBDPMFKSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000985805283 639645196 /nfs/dbraw/zinc/64/51/96/639645196.db2.gz WAIIHRUCEHEWSA-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000986954856 640024977 /nfs/dbraw/zinc/02/49/77/640024977.db2.gz DYBSPJIALHSTTN-MAUKXSAKSA-N 2 0 315.461 2.169 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989449010 640991908 /nfs/dbraw/zinc/99/19/08/640991908.db2.gz BLHMLDUKNMORQF-MAUKXSAKSA-N 2 0 315.461 2.169 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298924 641092647 /nfs/dbraw/zinc/09/26/47/641092647.db2.gz ZDRASWROUJVEKF-SFHVURJKSA-N 2 0 320.396 2.283 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000900416529 642362924 /nfs/dbraw/zinc/36/29/24/642362924.db2.gz ADXVPFRQTDPQIM-UHFFFAOYSA-N 2 0 321.440 2.224 20 30 DEEDRP C[C@H]1CNC(NN=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)=[NH+]1 ZINC000779787490 642537333 /nfs/dbraw/zinc/53/73/33/642537333.db2.gz UWGKXOKQRQYHED-RRQGHBQHSA-N 2 0 311.433 2.107 20 30 DEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722523 643438920 /nfs/dbraw/zinc/43/89/20/643438920.db2.gz MAFQYMPBIMMYMY-RBUKOAKNSA-N 2 0 316.445 2.452 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(NC[C@@H]([NH3+])CC(F)F)CC2)c1 ZINC000903932020 643513325 /nfs/dbraw/zinc/51/33/25/643513325.db2.gz LEIQQAMXXIPSNS-HNNXBMFYSA-N 2 0 322.403 2.095 20 30 DEEDRP C=C(C)CN1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905095114 643799010 /nfs/dbraw/zinc/79/90/10/643799010.db2.gz IGQDWBMRLCCYAC-QGZVFWFLSA-N 2 0 310.482 2.063 20 30 DEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991501128 646432104 /nfs/dbraw/zinc/43/21/04/646432104.db2.gz GYZKNJCGKJUFFR-IEBWSBKVSA-N 2 0 322.412 2.003 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)s1 ZINC000170905950 646674679 /nfs/dbraw/zinc/67/46/79/646674679.db2.gz PZVNMNGEHPXLJX-JTQLQIEISA-N 2 0 300.859 2.290 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992175105 646885556 /nfs/dbraw/zinc/88/55/56/646885556.db2.gz TUGWZURDTPRTEB-VQIMIIECSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992192657 646896408 /nfs/dbraw/zinc/89/64/08/646896408.db2.gz TYKGATZMPZCKFA-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992403082 646971984 /nfs/dbraw/zinc/97/19/84/646971984.db2.gz ADUAJUNDZBXECL-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000817944096 647389885 /nfs/dbraw/zinc/38/98/85/647389885.db2.gz XJIXAHQFERHWDX-HNNXBMFYSA-N 2 0 323.868 2.374 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000915126804 647484738 /nfs/dbraw/zinc/48/47/38/647484738.db2.gz VZWRKEODDQCHDP-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993805985 647747061 /nfs/dbraw/zinc/74/70/61/647747061.db2.gz NXQMILFXXUDXDL-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928476 647763127 /nfs/dbraw/zinc/76/31/27/647763127.db2.gz NNEZIMISYIAUHL-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624475 648907873 /nfs/dbraw/zinc/90/78/73/648907873.db2.gz HYSRXANWKCBPTO-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940790035 648941681 /nfs/dbraw/zinc/94/16/81/648941681.db2.gz SFIYNBKMIYGYNP-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940994782 648980583 /nfs/dbraw/zinc/98/05/83/648980583.db2.gz YXAWNNLCLZXSJP-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435987 649207561 /nfs/dbraw/zinc/20/75/61/649207561.db2.gz QREILWNQWLNECG-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943879300 649447689 /nfs/dbraw/zinc/44/76/89/649447689.db2.gz VCLMINQLXCBXEI-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP CCNC(NCc1ccc(OCC[NH+]2CCCC2)cc1)=[NH+]CC ZINC000849007961 651580324 /nfs/dbraw/zinc/58/03/24/651580324.db2.gz ILESRMHOKQCLRF-UHFFFAOYSA-N 2 0 318.465 2.236 20 30 DEEDRP C#CCOCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000851889474 652270742 /nfs/dbraw/zinc/27/07/42/652270742.db2.gz KCDBKWBYBRASAK-UHFFFAOYSA-N 2 0 301.434 2.270 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C=C1CC[NH2+]CC1)C(C)C ZINC000852859229 652471601 /nfs/dbraw/zinc/47/16/01/652471601.db2.gz PSHNBUXRBJYOEB-QGZVFWFLSA-N 2 0 305.466 2.111 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000304741629 685259173 /nfs/dbraw/zinc/25/91/73/685259173.db2.gz UGHWYQWBNIMBCP-UHFFFAOYSA-N 2 0 317.481 2.002 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000304763019 685260819 /nfs/dbraw/zinc/26/08/19/685260819.db2.gz WJCRIYLDXZKZRX-ARFHVFGLSA-N 2 0 324.513 2.216 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000304763024 685260991 /nfs/dbraw/zinc/26/09/91/685260991.db2.gz WJCRIYLDXZKZRX-XHSDSOJGSA-N 2 0 324.513 2.216 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304781497 685261135 /nfs/dbraw/zinc/26/11/35/685261135.db2.gz GITKTWUBPKABPB-RDJZCZTQSA-N 2 0 302.466 2.487 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054145397 693862515 /nfs/dbraw/zinc/86/25/15/693862515.db2.gz OSTYHSYACXUEJS-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054239676 693896453 /nfs/dbraw/zinc/89/64/53/693896453.db2.gz JXUXXPVOESCSDU-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303695299 685233516 /nfs/dbraw/zinc/23/35/16/685233516.db2.gz DLVTUQXNSQVVCZ-UHFFFAOYSA-N 2 0 308.426 2.162 20 30 DEEDRP CCC(CC)[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCC1 ZINC000303773722 685234733 /nfs/dbraw/zinc/23/47/33/685234733.db2.gz FJQICWSXSKVXCX-OAHLLOKOSA-N 2 0 312.527 2.251 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303893644 685238405 /nfs/dbraw/zinc/23/84/05/685238405.db2.gz SARWZGGIVXSJDJ-CQSZACIVSA-N 2 0 300.406 2.321 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001016681248 687681298 /nfs/dbraw/zinc/68/12/98/687681298.db2.gz JOOBFCFBVOODQK-MRXNPFEDSA-N 2 0 317.477 2.019 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016686957 687682130 /nfs/dbraw/zinc/68/21/30/687682130.db2.gz FJSHSBUHYPSAFG-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016794876 687704340 /nfs/dbraw/zinc/70/43/40/687704340.db2.gz ZSTYLEFDGYKUPP-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016907647 687731731 /nfs/dbraw/zinc/73/17/31/687731731.db2.gz SZGUJOJDBMPVHS-KRWDZBQOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016932218 687737421 /nfs/dbraw/zinc/73/74/21/687737421.db2.gz DYCABGQEWXDKLL-MRXNPFEDSA-N 2 0 317.477 2.019 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176363 688071582 /nfs/dbraw/zinc/07/15/82/688071582.db2.gz HVYJAHMYICZMRI-TVFCKZIOSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001032445971 689153594 /nfs/dbraw/zinc/15/35/94/689153594.db2.gz SWQTUWPGEVHVEO-IKGGRYGDSA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032472535 689159569 /nfs/dbraw/zinc/15/95/69/689159569.db2.gz XCOUNWXWDPYZOP-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033099294 689387145 /nfs/dbraw/zinc/38/71/45/689387145.db2.gz OXKBQHXVTNIUCN-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033125430 689398259 /nfs/dbraw/zinc/39/82/59/689398259.db2.gz DSBPMUADQVQTRN-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143971 689403145 /nfs/dbraw/zinc/40/31/45/689403145.db2.gz OWFYUEAVGVXQIJ-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182829 689415176 /nfs/dbraw/zinc/41/51/76/689415176.db2.gz RSPKTFFMKOZXAF-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250497 689781216 /nfs/dbraw/zinc/78/12/16/689781216.db2.gz RBRZNELTYIFMBP-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290308 689797034 /nfs/dbraw/zinc/79/70/34/689797034.db2.gz IBGPNXNZCSKAAM-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034367188 689825049 /nfs/dbraw/zinc/82/50/49/689825049.db2.gz FJBBVANKOFMBOI-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709383 689911564 /nfs/dbraw/zinc/91/15/64/689911564.db2.gz QIZAQZVKAACQHG-HOTGVXAUSA-N 2 0 321.852 2.410 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C/[C@H]1CCC[NH2+]C1)C(C)C ZINC000876726462 689917851 /nfs/dbraw/zinc/91/78/51/689917851.db2.gz HNYKDERBFQSPLC-AQRBRUGDSA-N 2 0 319.493 2.357 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876728709 689918461 /nfs/dbraw/zinc/91/84/61/689918461.db2.gz SYGSMSOGQVWUDY-CVEARBPZSA-N 2 0 321.852 2.237 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000876735032 689920600 /nfs/dbraw/zinc/92/06/00/689920600.db2.gz YEXUIRWUKNBZFR-ZLDLUXBVSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736363 689921132 /nfs/dbraw/zinc/92/11/32/689921132.db2.gz KAPFDNRKGBLYPS-SCRDCRAPSA-N 2 0 315.889 2.329 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000876769662 689931865 /nfs/dbraw/zinc/93/18/65/689931865.db2.gz XGLYBJXVVKRWCA-CVEARBPZSA-N 2 0 321.852 2.237 20 30 DEEDRP 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 689949861 /nfs/dbraw/zinc/94/98/61/689949861.db2.gz RTOYUZJKHZKPDC-DSPLQEQRSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035189186 690054549 /nfs/dbraw/zinc/05/45/49/690054549.db2.gz XHUFXHAIPLCRBS-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035857380 690194844 /nfs/dbraw/zinc/19/48/44/690194844.db2.gz BEVLBXCYKACZCA-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001036084282 690256365 /nfs/dbraw/zinc/25/63/65/690256365.db2.gz PSDCVWXVRRTLMD-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001036240582 690299429 /nfs/dbraw/zinc/29/94/29/690299429.db2.gz LCRYKZLYNSFUGF-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001037848235 690622112 /nfs/dbraw/zinc/62/21/12/690622112.db2.gz BMRPHFWKOBZPIC-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1CC ZINC001037855209 690624223 /nfs/dbraw/zinc/62/42/23/690624223.db2.gz OJKAXGKYCNRSTM-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001037886946 690633232 /nfs/dbraw/zinc/63/32/32/690633232.db2.gz VKYGMOXANGORMT-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001037973495 690654185 /nfs/dbraw/zinc/65/41/85/690654185.db2.gz ASSFSAURWRPFHC-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039283249 691074880 /nfs/dbraw/zinc/07/48/80/691074880.db2.gz OOGLGYCJQZDIEA-AKBNIOSXSA-N 2 0 305.466 2.014 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039386357 691095152 /nfs/dbraw/zinc/09/51/52/691095152.db2.gz LBLMPDIBSLKFDM-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399820 691097898 /nfs/dbraw/zinc/09/78/98/691097898.db2.gz WQNFFTRVNIDNQU-SJORKVTESA-N 2 0 317.477 2.256 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431797 691104684 /nfs/dbraw/zinc/10/46/84/691104684.db2.gz UCOYFSBLTJVANM-IXDOHACOSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001039460160 691110683 /nfs/dbraw/zinc/11/06/83/691110683.db2.gz BQZNJMSOCMJQQW-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040230804 691216757 /nfs/dbraw/zinc/21/67/57/691216757.db2.gz GBFYTXKXSUMWCE-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040264030 691222230 /nfs/dbraw/zinc/22/22/30/691222230.db2.gz KVVLBMXRUCTLJT-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040367771 691236699 /nfs/dbraw/zinc/23/66/99/691236699.db2.gz BCTLSSCPUFNNOZ-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040396976 691241870 /nfs/dbraw/zinc/24/18/70/691241870.db2.gz XLMSIGXEFNGWEQ-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542054 691263365 /nfs/dbraw/zinc/26/33/65/691263365.db2.gz FLLBXUNKLOHXKJ-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040723847 691282183 /nfs/dbraw/zinc/28/21/83/691282183.db2.gz MZEFXHOBIBZBFM-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040848601 691292935 /nfs/dbraw/zinc/29/29/35/691292935.db2.gz LYLMNYWGWNIMLL-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358903 691366867 /nfs/dbraw/zinc/36/68/67/691366867.db2.gz RGHINESMZAACDA-MJGOQNOKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041374299 691368929 /nfs/dbraw/zinc/36/89/29/691368929.db2.gz DOAAOCHQKFOLLO-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCN(C)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000883131108 691435914 /nfs/dbraw/zinc/43/59/14/691435914.db2.gz HAIACRPQCYAVQV-UHFFFAOYSA-N 2 0 302.418 2.283 20 30 DEEDRP C=CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000883189040 691452996 /nfs/dbraw/zinc/45/29/96/691452996.db2.gz XABYVWRMEYQYRR-YTQUADARSA-N 2 0 321.509 2.258 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001043603638 691724203 /nfs/dbraw/zinc/72/42/03/691724203.db2.gz NNNIKLRWZIEQQZ-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001044877680 691901505 /nfs/dbraw/zinc/90/15/05/691901505.db2.gz KBDBZECEMWXNAW-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP N#CC1(C[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000885956164 691971293 /nfs/dbraw/zinc/97/12/93/691971293.db2.gz KUIJBVABZQZRJV-KRWDZBQOSA-N 2 0 305.466 2.239 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438392 691981173 /nfs/dbraw/zinc/98/11/73/691981173.db2.gz RZLNRNCMENOHBP-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438276 691981370 /nfs/dbraw/zinc/98/13/70/691981370.db2.gz NFJASTJWJKQCOB-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCN1CCC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886664357 692152132 /nfs/dbraw/zinc/15/21/32/692152132.db2.gz KARDRQJHGCJKKD-JLAWEPINSA-N 2 0 303.494 2.471 20 30 DEEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626878 692242784 /nfs/dbraw/zinc/24/27/84/692242784.db2.gz WBLLSBCETFHWHN-IBGZPJMESA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001048531782 692640873 /nfs/dbraw/zinc/64/08/73/692640873.db2.gz DDGLZXHXBQACNL-XMTFNYHQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050046466 693090672 /nfs/dbraw/zinc/09/06/72/693090672.db2.gz FVTPHADWMBLQHI-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924627204 693161511 /nfs/dbraw/zinc/16/15/11/693161511.db2.gz OBIMYFKJGNDLTI-HNNXBMFYSA-N 2 0 315.465 2.251 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050577186 693209397 /nfs/dbraw/zinc/20/93/97/693209397.db2.gz NIYLAOMOJLZECP-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925702072 693326752 /nfs/dbraw/zinc/32/67/52/693326752.db2.gz KHOSCIUOLIHJTM-LJQANCHMSA-N 2 0 324.472 2.397 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000925893170 693360604 /nfs/dbraw/zinc/36/06/04/693360604.db2.gz MJTRROVSQIIUIS-GVDBMIGSSA-N 2 0 313.449 2.266 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515821 693555406 /nfs/dbraw/zinc/55/54/06/693555406.db2.gz JWTGZOBVDCURJQ-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619271 693580242 /nfs/dbraw/zinc/58/02/42/693580242.db2.gz FDNLFHFBIVAWSK-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001402286645 1162315085 /nfs/dbraw/zinc/31/50/85/1162315085.db2.gz CWVWQOTYXAEVTK-GJZGRUSLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001331926960 1149780454 /nfs/dbraw/zinc/78/04/54/1149780454.db2.gz RBNYKFILPZRDSK-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001353536499 1151836908 /nfs/dbraw/zinc/83/69/08/1151836908.db2.gz ZGNAQPRSXFGPTH-UAGQMJEPSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001381302807 1152998119 /nfs/dbraw/zinc/99/81/19/1152998119.db2.gz YFMSQPYPVYQTEW-CQSZACIVSA-N 2 0 301.862 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569246585 1153832898 /nfs/dbraw/zinc/83/28/98/1153832898.db2.gz IJWLIUXCJZSTHR-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001389343368 1155315028 /nfs/dbraw/zinc/31/50/28/1155315028.db2.gz JAYMRLVAVRYRFR-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCC1 ZINC001392015153 1156849578 /nfs/dbraw/zinc/84/95/78/1156849578.db2.gz YHLSLPJCDNVKHN-CQSZACIVSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001393970307 1158110707 /nfs/dbraw/zinc/11/07/07/1158110707.db2.gz CDMNZRDNQRUBAH-OLZOCXBDSA-N 2 0 303.878 2.200 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001394415257 1158502862 /nfs/dbraw/zinc/50/28/62/1158502862.db2.gz UZNQLMMWRLJZQU-OAHLLOKOSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001397254811 1160086279 /nfs/dbraw/zinc/08/62/79/1160086279.db2.gz ASTHQNNNFUPEHU-LSDHHAIUSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001401269809 1161910558 /nfs/dbraw/zinc/91/05/58/1161910558.db2.gz CRDUVNPYNLSBQG-HNNXBMFYSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001401833438 1162148673 /nfs/dbraw/zinc/14/86/73/1162148673.db2.gz WJTNAZFUSZFWMH-GJZGRUSLSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001404339381 1163593620 /nfs/dbraw/zinc/59/36/20/1163593620.db2.gz SEXNSHOROMYOJS-CYBMUJFWSA-N 2 0 324.856 2.312 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001420811684 1171192255 /nfs/dbraw/zinc/19/22/55/1171192255.db2.gz ZOIUUZWNUHJHHL-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001439676469 1181195360 /nfs/dbraw/zinc/19/53/60/1181195360.db2.gz MFNZRZANQQYZBS-CQSZACIVSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001444213260 1183316514 /nfs/dbraw/zinc/31/65/14/1183316514.db2.gz VQBHPWMKYKLVQG-MRXNPFEDSA-N 2 0 321.852 2.239 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001444531452 1183434860 /nfs/dbraw/zinc/43/48/60/1183434860.db2.gz BUFIDYCNILWXHP-CYBMUJFWSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001446953479 1184590558 /nfs/dbraw/zinc/59/05/58/1184590558.db2.gz JQHOOUGRUKIFFR-SHTZXODSSA-N 2 0 315.889 2.203 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896263 790292565 /nfs/dbraw/zinc/29/25/65/790292565.db2.gz FGYCVJSNCKKREV-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001332810617 1149894904 /nfs/dbraw/zinc/89/49/04/1149894904.db2.gz TZWKUOAGJFRNLR-ARFHVFGLSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001408299492 1165572088 /nfs/dbraw/zinc/57/20/88/1165572088.db2.gz SSTSRESSIKGODV-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106516205 782755310 /nfs/dbraw/zinc/75/53/10/782755310.db2.gz JEYAWYBJEKMVPF-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588009 782798474 /nfs/dbraw/zinc/79/84/74/782798474.db2.gz ADWPJTULWWBIFF-GDBMZVCRSA-N 2 0 319.449 2.215 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106730928 782897045 /nfs/dbraw/zinc/89/70/45/782897045.db2.gz XGTWWTIQVMWBRH-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC001333458458 1150052572 /nfs/dbraw/zinc/05/25/72/1150052572.db2.gz PVFPJKXMSKQZQE-UHFFFAOYSA-N 2 0 313.445 2.053 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050040 790418811 /nfs/dbraw/zinc/41/88/11/790418811.db2.gz HEBKWNOKVWPPGJ-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115571610 776551593 /nfs/dbraw/zinc/55/15/93/776551593.db2.gz GZJOKHBTURCYIP-QGZVFWFLSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001167474523 777128170 /nfs/dbraw/zinc/12/81/70/777128170.db2.gz DQYYGODBDBHXBV-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP 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 777374356 /nfs/dbraw/zinc/37/43/56/777374356.db2.gz QJYZXWGBQPKARF-VQHPVUNQSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087301604 777751701 /nfs/dbraw/zinc/75/17/01/777751701.db2.gz FRUTUBRDSRFMKB-IXDOHACOSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622441 777971392 /nfs/dbraw/zinc/97/13/92/777971392.db2.gz XHCZKWNJONAGRC-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676529 778015962 /nfs/dbraw/zinc/01/59/62/778015962.db2.gz NZNWRJJUUXCURN-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104681993 778019426 /nfs/dbraw/zinc/01/94/26/778019426.db2.gz WISLGNKVKXAJPH-RCCFBDPRSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104872338 778226558 /nfs/dbraw/zinc/22/65/58/778226558.db2.gz BMNUSWJCYBLURV-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908771 778244646 /nfs/dbraw/zinc/24/46/46/778244646.db2.gz KHBNEMSLFWTQPY-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701569 779416358 /nfs/dbraw/zinc/41/63/58/779416358.db2.gz BDDNTRPJSAOWOK-LUKYLMHMSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781349 779449498 /nfs/dbraw/zinc/44/94/98/779449498.db2.gz DYSSXFBINCBAAV-DLBZAZTESA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000985497409 779868311 /nfs/dbraw/zinc/86/83/11/779868311.db2.gz WJRDRWPLMASUCW-CQSZACIVSA-N 2 0 301.862 2.002 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001088314959 779938169 /nfs/dbraw/zinc/93/81/69/779938169.db2.gz KYXDAFPFGYBNBD-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001088315150 779939290 /nfs/dbraw/zinc/93/92/90/779939290.db2.gz PSZLXSUMPFJLTG-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876416 780048264 /nfs/dbraw/zinc/04/82/64/780048264.db2.gz PUIDIRLNOLFLEY-RCCFBDPRSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088562768 780477970 /nfs/dbraw/zinc/47/79/70/780477970.db2.gz MBYMHVKDCGOFIT-IXDOHACOSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621729 780661412 /nfs/dbraw/zinc/66/14/12/780661412.db2.gz QLDFWJKIGPVPGD-IKGGRYGDSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCOCc1nn(C2CC[NH+](CC3CC3)CC2)c2c1C[NH2+]C2 ZINC001168378894 781747481 /nfs/dbraw/zinc/74/74/81/781747481.db2.gz YFHKDLSWDHSGHW-UHFFFAOYSA-N 2 0 316.449 2.236 20 30 DEEDRP 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 783554095 /nfs/dbraw/zinc/55/40/95/783554095.db2.gz PLHIPWBTKAPCRR-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905028 783812080 /nfs/dbraw/zinc/81/20/80/783812080.db2.gz WVCBGJRCVAHHBP-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192302 784247451 /nfs/dbraw/zinc/24/74/51/784247451.db2.gz QJBBYXZZDRYZGS-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968377569 784339439 /nfs/dbraw/zinc/33/94/39/784339439.db2.gz JMKGIFCVLXLGII-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221336 784499638 /nfs/dbraw/zinc/49/96/38/784499638.db2.gz PCAMXUOMBQXQDL-VVLHAWIVSA-N 2 0 305.466 2.064 20 30 DEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001171224024 791039026 /nfs/dbraw/zinc/03/90/26/791039026.db2.gz OSZVAPFAXUSLQJ-KRWDZBQOSA-N 2 0 314.477 2.059 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497186 784794978 /nfs/dbraw/zinc/79/49/78/784794978.db2.gz AMAPFDCZYVCXHP-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2nc(CC[NH3+])nc2C)cc1 ZINC001168992745 784994473 /nfs/dbraw/zinc/99/44/73/784994473.db2.gz VOHAVEHWCJQVIQ-KRWDZBQOSA-N 2 0 311.433 2.400 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008280138 785162164 /nfs/dbraw/zinc/16/21/64/785162164.db2.gz RURVPSANTWIUCT-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171237538 791089189 /nfs/dbraw/zinc/08/91/89/791089189.db2.gz QSQLXEVGUZNRKF-IAGOWNOFSA-N 2 0 309.498 2.415 20 30 DEEDRP CCN(CC)C(=O)C[C@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001169455509 785191654 /nfs/dbraw/zinc/19/16/54/785191654.db2.gz AISVXMCZDKFBAQ-AWEZNQCLSA-N 2 0 318.465 2.300 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797427 785361345 /nfs/dbraw/zinc/36/13/45/785361345.db2.gz FTLHGQALVREOLU-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071225 786391501 /nfs/dbraw/zinc/39/15/01/786391501.db2.gz LXAQFFOJKQOGSG-OAHLLOKOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)CCn2ccnc2)CC1 ZINC001113172449 786428796 /nfs/dbraw/zinc/42/87/96/786428796.db2.gz IOEFSJTWLXWIDW-UHFFFAOYSA-N 2 0 304.438 2.164 20 30 DEEDRP C=C(C)CCN1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441749 786595222 /nfs/dbraw/zinc/59/52/22/786595222.db2.gz QXHINMCENIECKG-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014723859 786724233 /nfs/dbraw/zinc/72/42/33/786724233.db2.gz RQYVKUMNDNCYHT-RDJZCZTQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NCCN(C)CC[NH3+])cc1 ZINC001170505218 787436675 /nfs/dbraw/zinc/43/66/75/787436675.db2.gz QXGQBAGUTXAVAX-SFHVURJKSA-N 2 0 302.466 2.312 20 30 DEEDRP 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 787601157 /nfs/dbraw/zinc/60/11/57/787601157.db2.gz RRSOXEYSLHSZGT-SQNIBIBYSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107150 787934075 /nfs/dbraw/zinc/93/40/75/787934075.db2.gz XZNPWFDJCBRJDF-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107148 787934269 /nfs/dbraw/zinc/93/42/69/787934269.db2.gz XZNPWFDJCBRJDF-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001097176977 788009809 /nfs/dbraw/zinc/00/98/09/788009809.db2.gz DRBMZIFQRMRIMW-NCOADZHNSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580044 788139111 /nfs/dbraw/zinc/13/91/11/788139111.db2.gz PMLBSDZOLAKHEQ-BDXSIMOUSA-N 2 0 317.477 2.158 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133181865 788308135 /nfs/dbraw/zinc/30/81/35/788308135.db2.gz JXUCZRFLJWAPGG-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135334880 789292231 /nfs/dbraw/zinc/29/22/31/789292231.db2.gz WXKSYXZMFQSJMA-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627750 789826110 /nfs/dbraw/zinc/82/61/10/789826110.db2.gz KSYDDJJYDFXEKD-ZFWWWQNUSA-N 2 0 312.417 2.411 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071954072 789985778 /nfs/dbraw/zinc/98/57/78/789985778.db2.gz JJOYCMGLUCNBDQ-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072734566 790233429 /nfs/dbraw/zinc/23/34/29/790233429.db2.gz KRKJALJXMBPPKY-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001098462704 791634186 /nfs/dbraw/zinc/63/41/86/791634186.db2.gz JBGYTIGUSIIYII-WCXIOVBPSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147985447 791667310 /nfs/dbraw/zinc/66/73/10/791667310.db2.gz HMXYUVKJIVTSON-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315911 791737755 /nfs/dbraw/zinc/73/77/55/791737755.db2.gz ZZMYKZVNPXCCMP-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942418 791856905 /nfs/dbraw/zinc/85/69/05/791856905.db2.gz QOBMXEGCTFJFSP-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910411 791898178 /nfs/dbraw/zinc/89/81/78/791898178.db2.gz WOOYPTZUNGXYPB-APWZRJJASA-N 2 0 319.493 2.217 20 30 DEEDRP 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 791943360 /nfs/dbraw/zinc/94/33/60/791943360.db2.gz DDOMSMHXCHJAMN-SCTDSRPQSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099111206 792100310 /nfs/dbraw/zinc/10/03/10/792100310.db2.gz VCPUNQXQNWVOPM-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099233636 792145502 /nfs/dbraw/zinc/14/55/02/792145502.db2.gz AHBPISLTLRRVNA-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310553 792167186 /nfs/dbraw/zinc/16/71/86/792167186.db2.gz PHHSYYMUYFACPU-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001100765046 792831176 /nfs/dbraw/zinc/83/11/76/792831176.db2.gz QLSLBRAXYBGKCQ-UHFFFAOYSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100981015 792954475 /nfs/dbraw/zinc/95/44/75/792954475.db2.gz QYTHEJAIYWKNDU-AQFXKWCLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101063871 792997181 /nfs/dbraw/zinc/99/71/81/792997181.db2.gz RKTCIYRZBCBRPX-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101285233 793102207 /nfs/dbraw/zinc/10/22/07/793102207.db2.gz UDFJLFBCXUWKPB-QAPCUYQASA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443711 793163748 /nfs/dbraw/zinc/16/37/48/793163748.db2.gz PDSSIWUHTNFMMX-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCCN1CCC[C@H]([NH2+]C2CCC([NH+](CC)CC)CC2)C1=O ZINC001173107385 793580551 /nfs/dbraw/zinc/58/05/51/793580551.db2.gz PXKSZMFZYLVNLT-ABHNRTSZSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472144 793626080 /nfs/dbraw/zinc/62/60/80/793626080.db2.gz KIERZTDSFMJMEB-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520735 793639806 /nfs/dbraw/zinc/63/98/06/793639806.db2.gz XRYCEZAMYWSPBI-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596568 793666499 /nfs/dbraw/zinc/66/64/99/793666499.db2.gz MRWHZXHUYCBCPE-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP COC(=O)CC[N@H+](CCC[NH+](C)C)C1CCC(C)(C#N)CC1 ZINC001173596480 793776343 /nfs/dbraw/zinc/77/63/43/793776343.db2.gz YCDWEYSIXVQGBU-UHFFFAOYSA-N 2 0 309.454 2.276 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103157930 793960313 /nfs/dbraw/zinc/96/03/13/793960313.db2.gz JSHDNUKVASACNP-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103408718 794077915 /nfs/dbraw/zinc/07/79/15/794077915.db2.gz QIUOOGDVTOYXSD-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111779185 794477646 /nfs/dbraw/zinc/47/76/46/794477646.db2.gz YFTKBMWRSJOHNA-YJBOKZPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)CC1 ZINC001176738721 794484214 /nfs/dbraw/zinc/48/42/14/794484214.db2.gz RYFWGXAXBOUZCL-QGZVFWFLSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCCC)CC1 ZINC001176737862 794484343 /nfs/dbraw/zinc/48/43/43/794484343.db2.gz NQZVRKNIMOXBNF-KRWDZBQOSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760109 794498594 /nfs/dbraw/zinc/49/85/94/794498594.db2.gz QAXPKXOPVGGYEG-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115572043 794826092 /nfs/dbraw/zinc/82/60/92/794826092.db2.gz ZTBLWKBTTUXIIO-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178688442 794975196 /nfs/dbraw/zinc/97/51/96/794975196.db2.gz CWVZGHNWDLLLIQ-ULQDDVLXSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178943209 795035462 /nfs/dbraw/zinc/03/54/62/795035462.db2.gz OUTICQOCFUSKHQ-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179394975 795103553 /nfs/dbraw/zinc/10/35/53/795103553.db2.gz AWLDNODNGIWZCD-UHFFFAOYSA-N 2 0 319.449 2.244 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)[C@H]1C ZINC001179517569 795124498 /nfs/dbraw/zinc/12/44/98/795124498.db2.gz QKWPIZIMZBNQMK-ZNMIVQPWSA-N 2 0 316.449 2.375 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001179842952 795186453 /nfs/dbraw/zinc/18/64/53/795186453.db2.gz IHAZELUGDKPGTM-KRWDZBQOSA-N 2 0 309.498 2.252 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065356 795233982 /nfs/dbraw/zinc/23/39/82/795233982.db2.gz OMEOIURUTQAELN-ZWKOTPCHSA-N 2 0 321.509 2.396 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180900058 795387942 /nfs/dbraw/zinc/38/79/42/795387942.db2.gz UGYCJKCOLJFLJY-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439486 795459452 /nfs/dbraw/zinc/45/94/52/795459452.db2.gz HBBISEIFFLMBHV-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121246418 795607925 /nfs/dbraw/zinc/60/79/25/795607925.db2.gz PFBAOMFOHTYXSW-UHFFFAOYSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121267107 795610196 /nfs/dbraw/zinc/61/01/96/795610196.db2.gz DEYHHIYYKPESIS-HVEGKCCWSA-N 2 0 307.482 2.166 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182402055 795663026 /nfs/dbraw/zinc/66/30/26/795663026.db2.gz RKPHCZDIXZLGJW-RDTXWAMCSA-N 2 0 319.449 2.215 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121702285 795675999 /nfs/dbraw/zinc/67/59/99/795675999.db2.gz ARCCBLJHGDYXIJ-JFPDKAJLSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183825720 795947520 /nfs/dbraw/zinc/94/75/20/795947520.db2.gz ATWOUQSKQPMXRU-OAHLLOKOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183867502 795954418 /nfs/dbraw/zinc/95/44/18/795954418.db2.gz DZOXJYLXAMLZAN-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185071940 796183418 /nfs/dbraw/zinc/18/34/18/796183418.db2.gz BYMULWDETVQSGJ-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185260651 796224835 /nfs/dbraw/zinc/22/48/35/796224835.db2.gz MCDMFKVQWHKXAP-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185445160 796258487 /nfs/dbraw/zinc/25/84/87/796258487.db2.gz FFWOZRAVMUSERU-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185412251 796260164 /nfs/dbraw/zinc/26/01/64/796260164.db2.gz QSUDGAUNDCQMDU-WMZOPIPTSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185501618 796273583 /nfs/dbraw/zinc/27/35/83/796273583.db2.gz HSXJVENCUXJXSX-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185528164 796278035 /nfs/dbraw/zinc/27/80/35/796278035.db2.gz YAXWRDSMOFHAPP-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203103871 796650295 /nfs/dbraw/zinc/65/02/95/796650295.db2.gz NJCUASRBRQCHJZ-HUUCEWRRSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188561384 796681232 /nfs/dbraw/zinc/68/12/32/796681232.db2.gz DCQYGOXTVXNRES-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001203116070 796704420 /nfs/dbraw/zinc/70/44/20/796704420.db2.gz WZNBSTDDMYUFGT-CVEARBPZSA-N 2 0 317.477 2.208 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190484729 797009851 /nfs/dbraw/zinc/00/98/51/797009851.db2.gz WYUWMNQSRGGURU-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191360842 797189762 /nfs/dbraw/zinc/18/97/62/797189762.db2.gz TYQGRQMEYXSNLZ-HOCLYGCPSA-N 2 0 304.438 2.079 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989141 797294697 /nfs/dbraw/zinc/29/46/97/797294697.db2.gz QLPDCNSRPVPEDC-INIZCTEOSA-N 2 0 319.449 2.454 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967075 797299396 /nfs/dbraw/zinc/29/93/96/797299396.db2.gz DBMLLCNFVMWJTI-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194265253 797702299 /nfs/dbraw/zinc/70/22/99/797702299.db2.gz COLPZFQJJBOCAK-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196216088 798022232 /nfs/dbraw/zinc/02/22/32/798022232.db2.gz ZTOPACNRJFZUAT-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP CC#CCN1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242910 798031635 /nfs/dbraw/zinc/03/16/35/798031635.db2.gz OZWIACMMWAIWTA-QGZVFWFLSA-N 2 0 316.449 2.028 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)CC)CC1 ZINC001157092052 798142459 /nfs/dbraw/zinc/14/24/59/798142459.db2.gz HRLPQWWUDZJJFW-IAGOWNOFSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001198258991 798306028 /nfs/dbraw/zinc/30/60/28/798306028.db2.gz IOGCAAZYMNTFBQ-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289393 798376783 /nfs/dbraw/zinc/37/67/83/798376783.db2.gz GRZZUOGOPUGFQR-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158856451 798479394 /nfs/dbraw/zinc/47/93/94/798479394.db2.gz HMNCLHUTYIQRIA-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567670 798707143 /nfs/dbraw/zinc/70/71/43/798707143.db2.gz ISEHLKNTECGSJV-SFHVURJKSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001201229648 798723322 /nfs/dbraw/zinc/72/33/22/798723322.db2.gz FHVGZRRHCHQXNH-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856934 798750414 /nfs/dbraw/zinc/75/04/14/798750414.db2.gz SFAJVVAZORRYKU-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793583 798798761 /nfs/dbraw/zinc/79/87/61/798798761.db2.gz FEKYNBKZNBONCB-KRWDZBQOSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161214061 798811191 /nfs/dbraw/zinc/81/11/91/798811191.db2.gz RIEFFNFIGRABOM-SFHVURJKSA-N 2 0 319.493 2.269 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390969 798845507 /nfs/dbraw/zinc/84/55/07/798845507.db2.gz MKURZXIIQXUWRN-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161555149 798885051 /nfs/dbraw/zinc/88/50/51/798885051.db2.gz YFVBHZHNHWKAEP-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161705513 798917221 /nfs/dbraw/zinc/91/72/21/798917221.db2.gz USHRSXHMLLMIQV-GOSISDBHSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001202495986 798984423 /nfs/dbraw/zinc/98/44/23/798984423.db2.gz LWSIHAWKMMXABN-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163231905 799284470 /nfs/dbraw/zinc/28/44/70/799284470.db2.gz JOQIFGDSKRXDAJ-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202771611 799486795 /nfs/dbraw/zinc/48/67/95/799486795.db2.gz IWKNQIUMMVZTOV-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424209 799589156 /nfs/dbraw/zinc/58/91/56/799589156.db2.gz IMBORPSUAPJCMQ-OWSLCNJRSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531829 799618704 /nfs/dbraw/zinc/61/87/04/799618704.db2.gz UCVBXCASJLNBFT-IRXDYDNUSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533935 799650828 /nfs/dbraw/zinc/65/08/28/799650828.db2.gz UOWLYXSFCFKZEV-OWSLCNJRSA-N 2 0 317.477 2.301 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(Br)c1 ZINC001205033801 800288982 /nfs/dbraw/zinc/28/89/82/800288982.db2.gz UDNNQLUKCAAUST-UHFFFAOYSA-N 2 0 308.223 2.491 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205290611 800337755 /nfs/dbraw/zinc/33/77/55/800337755.db2.gz MAQNMEGBUBEQAG-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205461518 800359455 /nfs/dbraw/zinc/35/94/55/800359455.db2.gz LZCGGIRWQNUDAJ-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483424 800362810 /nfs/dbraw/zinc/36/28/10/800362810.db2.gz CYPFJGMRHQJRKI-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625752 800388908 /nfs/dbraw/zinc/38/89/08/800388908.db2.gz XLHGROYKJNXRKT-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625764 800389343 /nfs/dbraw/zinc/38/93/43/800389343.db2.gz XMDXJSQPYVDCQH-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205860059 800434272 /nfs/dbraw/zinc/43/42/72/800434272.db2.gz ARBYOWDRLYYDOC-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206031473 800461624 /nfs/dbraw/zinc/46/16/24/800461624.db2.gz RZOKXMBOLJFUHS-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206935783 800633504 /nfs/dbraw/zinc/63/35/04/800633504.db2.gz VVPQMKLNJMNPAZ-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C#CCN1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291875 800724491 /nfs/dbraw/zinc/72/44/91/800724491.db2.gz DNBGYSMHJAIJIV-UHFFFAOYSA-N 2 0 311.473 2.149 20 30 DEEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435897 800751193 /nfs/dbraw/zinc/75/11/93/800751193.db2.gz NIJQTEPQQAXKDI-SFHVURJKSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001207483247 800764970 /nfs/dbraw/zinc/76/49/70/800764970.db2.gz VFQYPSQYXYZYPG-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859060 800849975 /nfs/dbraw/zinc/84/99/75/800849975.db2.gz GXRKPKBNYGJTIN-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C[NH+]1CCC(C)(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001208107725 800913605 /nfs/dbraw/zinc/91/36/05/800913605.db2.gz ZZTBGKKWWOJPDU-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP C[NH+]1CCC(C)(C[NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001208111274 800914441 /nfs/dbraw/zinc/91/44/41/800914441.db2.gz JBPOOCRUDOHYFF-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208264364 800943740 /nfs/dbraw/zinc/94/37/40/800943740.db2.gz KSBWRIYWFOXJFF-HNNXBMFYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208564781 801013710 /nfs/dbraw/zinc/01/37/10/801013710.db2.gz XLCORHHRKMGLBP-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918607 801093545 /nfs/dbraw/zinc/09/35/45/801093545.db2.gz ISURHNVGGXWVLG-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001229186524 801239272 /nfs/dbraw/zinc/23/92/72/801239272.db2.gz XMIFWLLCZJXZMM-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230288156 801381626 /nfs/dbraw/zinc/38/16/26/801381626.db2.gz MDGTUDTWKDGUBM-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001211221108 801532248 /nfs/dbraw/zinc/53/22/48/801532248.db2.gz BALBIXJCEABDHW-IXDOHACOSA-N 2 0 322.497 2.077 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000303791372 801758325 /nfs/dbraw/zinc/75/83/25/801758325.db2.gz XKWCYOURBYBTHL-INIZCTEOSA-N 2 0 304.438 2.078 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214888835 801773235 /nfs/dbraw/zinc/77/32/35/801773235.db2.gz DDYBHVIVAWOFNP-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215930183 801919812 /nfs/dbraw/zinc/91/98/12/801919812.db2.gz RZXZMXTTYZABIZ-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750264 802021874 /nfs/dbraw/zinc/02/18/74/802021874.db2.gz WBEHCIVNZIVFNU-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc1 ZINC001218871242 802252198 /nfs/dbraw/zinc/25/21/98/802252198.db2.gz JPKHYIXBNNKUCS-BBRMVZONSA-N 2 0 302.422 2.311 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221245920 802542877 /nfs/dbraw/zinc/54/28/77/802542877.db2.gz IMGMJCCWBSDGOU-FUHWJXTLSA-N 2 0 307.482 2.489 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444904 802573750 /nfs/dbraw/zinc/57/37/50/802573750.db2.gz SBRSCVHIRKHLCR-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818164 802617831 /nfs/dbraw/zinc/61/78/31/802617831.db2.gz IHIRNOHPUJBVBH-IAGOWNOFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221972633 802629938 /nfs/dbraw/zinc/62/99/38/802629938.db2.gz BGWWOBILUKQJDS-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222053427 802636071 /nfs/dbraw/zinc/63/60/71/802636071.db2.gz PSPWAJFASHJFHD-GVDBMIGSSA-N 2 0 307.482 2.214 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223480478 802793840 /nfs/dbraw/zinc/79/38/40/802793840.db2.gz MXPYNUVQKSFZAL-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884128 802914012 /nfs/dbraw/zinc/91/40/12/802914012.db2.gz OOBSJVHOSRSLST-SFHVURJKSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226333172 803093123 /nfs/dbraw/zinc/09/31/23/803093123.db2.gz FKJWMLVPKUWBDS-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227817920 803284249 /nfs/dbraw/zinc/28/42/49/803284249.db2.gz PDULCHPGRPLUHN-PBHICJAKSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001330915979 1149332412 /nfs/dbraw/zinc/33/24/12/1149332412.db2.gz LTCANWVPTQENTM-YOEHRIQHSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001328572792 1148811701 /nfs/dbraw/zinc/81/17/01/1148811701.db2.gz BYQZTJNQSPJQDA-SJLPKXTDSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001328588970 1148813529 /nfs/dbraw/zinc/81/35/29/1148813529.db2.gz RLQXWGSIOQHDRM-CALCHBBNSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001328673982 1148822846 /nfs/dbraw/zinc/82/28/46/1148822846.db2.gz JMHXIRDICCVBNO-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001328693671 1148824929 /nfs/dbraw/zinc/82/49/29/1148824929.db2.gz LJJAZKQFOYPTQY-IEBWSBKVSA-N 2 0 315.461 2.276 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001328796420 1148836318 /nfs/dbraw/zinc/83/63/18/1148836318.db2.gz HJCBRJHDJGTSRV-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001500495402 1058854545 /nfs/dbraw/zinc/85/45/45/1058854545.db2.gz DKUMMLQNWNMXON-MJGOQNOKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[NH+]2C1 ZINC001467728791 1059693786 /nfs/dbraw/zinc/69/37/86/1059693786.db2.gz QEWRLTSBGUYADK-GVDBMIGSSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001502350230 1060060856 /nfs/dbraw/zinc/06/08/56/1060060856.db2.gz UEOJUYBCFGLPJA-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001502508323 1060157638 /nfs/dbraw/zinc/15/76/38/1060157638.db2.gz QLBSKAZUTIBGMV-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001505431457 1060585977 /nfs/dbraw/zinc/58/59/77/1060585977.db2.gz WCWMGPQZWKBWHG-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001479691317 1061601554 /nfs/dbraw/zinc/60/15/54/1061601554.db2.gz AMLYLZSUUHXYCR-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479835595 1061869801 /nfs/dbraw/zinc/86/98/01/1061869801.db2.gz XWKCVJAOJMXHNZ-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001506522682 1062080062 /nfs/dbraw/zinc/08/00/62/1062080062.db2.gz VXGDFTHKKZMSJJ-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506928135 1062538939 /nfs/dbraw/zinc/53/89/39/1062538939.db2.gz LZAJKRZIJPEZOD-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480267877 1062571923 /nfs/dbraw/zinc/57/19/23/1062571923.db2.gz STARFOSSLCVIBV-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480300486 1062605590 /nfs/dbraw/zinc/60/55/90/1062605590.db2.gz NTNNXUVOCTXDSY-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001493243468 1063665197 /nfs/dbraw/zinc/66/51/97/1063665197.db2.gz GADJJWPDQQIHFO-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001494215215 1064177214 /nfs/dbraw/zinc/17/72/14/1064177214.db2.gz YNJFKHHOKNHKOI-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001567738829 1064392918 /nfs/dbraw/zinc/39/29/18/1064392918.db2.gz SVPCBWYJFMHRAE-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568057374 1064623236 /nfs/dbraw/zinc/62/32/36/1064623236.db2.gz SHHUBHNUULZQLM-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001568240769 1064724978 /nfs/dbraw/zinc/72/49/78/1064724978.db2.gz RUFYQDJVRUNCQH-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001495394025 1064878118 /nfs/dbraw/zinc/87/81/18/1064878118.db2.gz SSXXVOUAHLZCNI-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568483135 1064903724 /nfs/dbraw/zinc/90/37/24/1064903724.db2.gz JOOXSCJQMUUJOS-IXDOHACOSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001568513431 1064926063 /nfs/dbraw/zinc/92/60/63/1064926063.db2.gz LFQDKXKGNAUDQM-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001568544810 1064956632 /nfs/dbraw/zinc/95/66/32/1064956632.db2.gz IDNYVQLCRGNRFF-ROUUACIJSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001495698010 1065059777 /nfs/dbraw/zinc/05/97/77/1065059777.db2.gz XQWLWAOJGLAEQS-DZGCQCFKSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(C)C[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001569217049 1065372305 /nfs/dbraw/zinc/37/23/05/1065372305.db2.gz BJPUZTFQEQJTCC-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001496443829 1065473687 /nfs/dbraw/zinc/47/36/87/1065473687.db2.gz IOLSVTJFJIUHFP-HOCLYGCPSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001569518695 1065563281 /nfs/dbraw/zinc/56/32/81/1065563281.db2.gz KVJIVJWPEGHKAA-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001569550290 1065587580 /nfs/dbraw/zinc/58/75/80/1065587580.db2.gz VLFKFRNQWMTUON-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC(C)C)C(C)C)CC1 ZINC001496640083 1065612292 /nfs/dbraw/zinc/61/22/92/1065612292.db2.gz YAQYJBGDHHHVIA-GOSISDBHSA-N 2 0 321.509 2.108 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001496703903 1065659396 /nfs/dbraw/zinc/65/93/96/1065659396.db2.gz GNLMMMCLEZSGEV-UHFFFAOYSA-N 2 0 300.406 2.223 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569811564 1065733359 /nfs/dbraw/zinc/73/33/59/1065733359.db2.gz SEBVISLWCSRMHG-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569828217 1065749457 /nfs/dbraw/zinc/74/94/57/1065749457.db2.gz HRCQMUSMGLBGDN-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001496867963 1065764212 /nfs/dbraw/zinc/76/42/12/1065764212.db2.gz MNDQFRWLGIWOBL-CABCVRRESA-N 2 0 313.873 2.004 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001496869324 1065767022 /nfs/dbraw/zinc/76/70/22/1065767022.db2.gz PQEVOVVSILSPEH-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001569866398 1065776509 /nfs/dbraw/zinc/77/65/09/1065776509.db2.gz SMFKRJINBIBTLW-QAQDUYKDSA-N 2 0 319.493 2.171 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001570003549 1065875369 /nfs/dbraw/zinc/87/53/69/1065875369.db2.gz ALSSKHLVWAHPCI-INIZCTEOSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001570046848 1065901719 /nfs/dbraw/zinc/90/17/19/1065901719.db2.gz OAGMYFFNOJTKIT-ULQDDVLXSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001570374064 1066038034 /nfs/dbraw/zinc/03/80/34/1066038034.db2.gz HJTHCWVACHOBJN-HNNXBMFYSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001570504857 1066099865 /nfs/dbraw/zinc/09/98/65/1066099865.db2.gz XGUJOSLLBAOFJF-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001497989566 1066448713 /nfs/dbraw/zinc/44/87/13/1066448713.db2.gz CGFPGILACRBKCP-DLBZAZTESA-N 2 0 321.509 2.108 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001499370847 1067199117 /nfs/dbraw/zinc/19/91/17/1067199117.db2.gz CQRALZBSTIFYTK-INIZCTEOSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001499576266 1067264761 /nfs/dbraw/zinc/26/47/61/1067264761.db2.gz ILPADROCKPNZMF-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001499737284 1067314178 /nfs/dbraw/zinc/31/41/78/1067314178.db2.gz JIDABTNIKFJYMM-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001483616276 1078628719 /nfs/dbraw/zinc/62/87/19/1078628719.db2.gz CEJUTKOUMRIRIY-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001570796077 1068119791 /nfs/dbraw/zinc/11/97/91/1068119791.db2.gz CVSOECGRQFKDTA-KRWDZBQOSA-N 2 0 319.493 2.291 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001329229867 1148876567 /nfs/dbraw/zinc/87/65/67/1148876567.db2.gz CIDYMIBUAQPNKK-ADKAHSJRSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001571364264 1068250174 /nfs/dbraw/zinc/25/01/74/1068250174.db2.gz WJIZXLQZZGPLHQ-QGZVFWFLSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001571492553 1068348321 /nfs/dbraw/zinc/34/83/21/1068348321.db2.gz FWDYFLCHIGUBGW-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CCC)CCC[C@H]12 ZINC001571504867 1068364627 /nfs/dbraw/zinc/36/46/27/1068364627.db2.gz JQIWSPCWVNVWLP-WMZOPIPTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001571670636 1068471506 /nfs/dbraw/zinc/47/15/06/1068471506.db2.gz USINKMBTPNQPKS-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001571694011 1068485519 /nfs/dbraw/zinc/48/55/19/1068485519.db2.gz UFEYBNWMYOWXHF-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC001574836955 1069274497 /nfs/dbraw/zinc/27/44/97/1069274497.db2.gz XRIJDBHROOMEAH-SFHVURJKSA-N 2 0 313.445 2.378 20 30 DEEDRP C=CC1(CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C[NH2+]C1 ZINC001574879894 1069283924 /nfs/dbraw/zinc/28/39/24/1069283924.db2.gz KTZIPKVISLTMSP-UHFFFAOYSA-N 2 0 315.461 2.309 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267473994 1078894999 /nfs/dbraw/zinc/89/49/99/1078894999.db2.gz NAPJPDWVTYVIEC-HNNXBMFYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001566534192 1072618523 /nfs/dbraw/zinc/61/85/23/1072618523.db2.gz RZNGTSSKLHJUFW-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001267519633 1078948457 /nfs/dbraw/zinc/94/84/57/1078948457.db2.gz KGWZAEZXBFRYDZ-IAGOWNOFSA-N 2 0 301.434 2.104 20 30 DEEDRP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001329290808 1148881502 /nfs/dbraw/zinc/88/15/02/1148881502.db2.gz QDDSOLUUCPRXGL-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740687 1078974030 /nfs/dbraw/zinc/97/40/30/1078974030.db2.gz OCLJYCBDDQEXLV-INIZCTEOSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267556867 1078989319 /nfs/dbraw/zinc/98/93/19/1078989319.db2.gz VUBBAADFZWYORQ-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267590019 1079100677 /nfs/dbraw/zinc/10/06/77/1079100677.db2.gz ORVAXOUNLKSIFZ-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267599421 1079124624 /nfs/dbraw/zinc/12/46/24/1079124624.db2.gz OMSIQKQFEJFELS-SJLPKXTDSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001481061371 1079141501 /nfs/dbraw/zinc/14/15/01/1079141501.db2.gz VXFPNHRBPIEOGG-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481099750 1079182409 /nfs/dbraw/zinc/18/24/09/1079182409.db2.gz SDPQHGFYOHRBKT-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481100510 1079183810 /nfs/dbraw/zinc/18/38/10/1079183810.db2.gz RXFOVPRERCTUQD-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001481136369 1079243794 /nfs/dbraw/zinc/24/37/94/1079243794.db2.gz BGNHKZQGUWMQAQ-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484122045 1079312663 /nfs/dbraw/zinc/31/26/63/1079312663.db2.gz OSXIDLOQXYOBHZ-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001566743690 1074997650 /nfs/dbraw/zinc/99/76/50/1074997650.db2.gz PPBJJSHZDFZNIY-ROUUACIJSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001565866590 1075200859 /nfs/dbraw/zinc/20/08/59/1075200859.db2.gz OSJIJHXWAFEJCZ-CTYIDZIISA-N 2 0 321.490 2.484 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001566012710 1075217044 /nfs/dbraw/zinc/21/70/44/1075217044.db2.gz PZTKEDUJONGOEQ-FGTMMUONSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001566623004 1075299127 /nfs/dbraw/zinc/29/91/27/1075299127.db2.gz FMQLYIZYLOEFHK-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566739740 1075330463 /nfs/dbraw/zinc/33/04/63/1075330463.db2.gz IKDNOPRZKUEZQR-FUHWJXTLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566794604 1075347315 /nfs/dbraw/zinc/34/73/15/1075347315.db2.gz IANHHHADZPGELL-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566871599 1075369360 /nfs/dbraw/zinc/36/93/60/1075369360.db2.gz GRRBBNJUVODAHS-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001566987122 1075409016 /nfs/dbraw/zinc/40/90/16/1075409016.db2.gz LMJZOWKMHRFJAZ-WWDZGPRUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001567137335 1075441897 /nfs/dbraw/zinc/44/18/97/1075441897.db2.gz LGPPILHBJIESIM-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267753843 1079454334 /nfs/dbraw/zinc/45/43/34/1079454334.db2.gz OOANATNAGKNFRS-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746131 1079587777 /nfs/dbraw/zinc/58/77/77/1079587777.db2.gz FAURDISVWJVSPW-INIZCTEOSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001267948581 1079626214 /nfs/dbraw/zinc/62/62/14/1079626214.db2.gz LBMBMFFIERDGJT-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484567901 1079665209 /nfs/dbraw/zinc/66/52/09/1079665209.db2.gz AAXYYZGHLCRNSK-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001484581131 1079669244 /nfs/dbraw/zinc/66/92/44/1079669244.db2.gz AKOYVGXKUVJUIX-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@@H]1C ZINC001484982737 1079895923 /nfs/dbraw/zinc/89/59/23/1079895923.db2.gz TVNZQWLLKAJMHF-ZWKOTPCHSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001656225290 1080069179 /nfs/dbraw/zinc/06/91/79/1080069179.db2.gz HGZMLBBITFEZEB-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)CCC=C)CC1 ZINC001268099005 1080071684 /nfs/dbraw/zinc/07/16/84/1080071684.db2.gz KDCQPQMCZSZFAK-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001268199245 1080187079 /nfs/dbraw/zinc/18/70/79/1080187079.db2.gz GKSNRYKKIYEXDR-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481647564 1080231122 /nfs/dbraw/zinc/23/11/22/1080231122.db2.gz CDSLPNNFANVXSV-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001660859070 1080409349 /nfs/dbraw/zinc/40/93/49/1080409349.db2.gz DDNJQWPDCZYNTH-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001661842824 1080532123 /nfs/dbraw/zinc/53/21/23/1080532123.db2.gz VHEDPNYNWVDYPK-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001481880851 1080571372 /nfs/dbraw/zinc/57/13/72/1080571372.db2.gz HXAKIUAMUFVUOI-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001481960615 1080651380 /nfs/dbraw/zinc/65/13/80/1080651380.db2.gz GPGALCHBZPIIIQ-VQIMIIECSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001482022007 1080697363 /nfs/dbraw/zinc/69/73/63/1080697363.db2.gz DKANBEASUINKMP-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268598167 1080879028 /nfs/dbraw/zinc/87/90/28/1080879028.db2.gz WREIGCYHHQEBHW-NFAHFFEMSA-N 2 0 313.873 2.265 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001664597673 1080930509 /nfs/dbraw/zinc/93/05/09/1080930509.db2.gz BZCIAWKTJNCHQP-ZWKOTPCHSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268747778 1080966575 /nfs/dbraw/zinc/96/65/75/1080966575.db2.gz UKQRYXPFYQHZAA-PBHICJAKSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001664876285 1080975230 /nfs/dbraw/zinc/97/52/30/1080975230.db2.gz QDADEBSQUTUHJQ-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665737137 1081073083 /nfs/dbraw/zinc/07/30/83/1081073083.db2.gz GZQFQDGFVSAFIC-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001665810081 1081084681 /nfs/dbraw/zinc/08/46/81/1081084681.db2.gz OFPLXGNIRSEHDZ-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269025892 1081089851 /nfs/dbraw/zinc/08/98/51/1081089851.db2.gz KDOYKOPEUBESJD-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001665952287 1081101706 /nfs/dbraw/zinc/10/17/06/1081101706.db2.gz VIDBKCFURASYFF-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001667029064 1081203312 /nfs/dbraw/zinc/20/33/12/1081203312.db2.gz PRHRFDYVDJFFQQ-FUHWJXTLSA-N 2 0 315.461 2.139 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001667584856 1081265831 /nfs/dbraw/zinc/26/58/31/1081265831.db2.gz IFOYWOCAODMSMT-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000950089896 1081268126 /nfs/dbraw/zinc/26/81/26/1081268126.db2.gz PWSXRXPRWNZMHG-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001667695091 1081275408 /nfs/dbraw/zinc/27/54/08/1081275408.db2.gz UUPGJQMJZVRROJ-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001269553276 1081287518 /nfs/dbraw/zinc/28/75/18/1081287518.db2.gz QAXDCGLROHXNMY-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001269554247 1081288779 /nfs/dbraw/zinc/28/87/79/1081288779.db2.gz SXSZQDNPUYFDRP-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001269574965 1081295247 /nfs/dbraw/zinc/29/52/47/1081295247.db2.gz IFPBCNYLNDNBFE-ALOPSCKCSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001269611517 1081309657 /nfs/dbraw/zinc/30/96/57/1081309657.db2.gz LBODGRNOIAQXIO-GOSISDBHSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)CCCC[NH+](C)C)CCCC[C@@H]1C ZINC001269678096 1081330662 /nfs/dbraw/zinc/33/06/62/1081330662.db2.gz YHZQOYNDNZMLLE-WMZOPIPTSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001668324883 1081341925 /nfs/dbraw/zinc/34/19/25/1081341925.db2.gz DRZDMQDQZUDTBD-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CN1CC(N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950500670 1081354272 /nfs/dbraw/zinc/35/42/72/1081354272.db2.gz HZEBDAZCYKTVJG-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001280095592 1081393181 /nfs/dbraw/zinc/39/31/81/1081393181.db2.gz RDAJRRAMHPYWEB-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001270024771 1081430206 /nfs/dbraw/zinc/43/02/06/1081430206.db2.gz JVVMDKXEVTYINX-BRSBDYLESA-N 2 0 317.477 2.044 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001270066421 1081441414 /nfs/dbraw/zinc/44/14/14/1081441414.db2.gz KFQPWINDAMKORB-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001270824506 1081731310 /nfs/dbraw/zinc/73/13/10/1081731310.db2.gz YCPSSNVFPKHNAV-IBGZPJMESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001626755362 1081828898 /nfs/dbraw/zinc/82/88/98/1081828898.db2.gz XAKUNSRQTRDNNZ-UHFFFAOYSA-N 2 0 319.449 2.455 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001674135834 1081843111 /nfs/dbraw/zinc/84/31/11/1081843111.db2.gz SFCKTTNPCRIZSA-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001279137829 1081867325 /nfs/dbraw/zinc/86/73/25/1081867325.db2.gz ZOZYXSUYAFJVRC-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001482455295 1081902650 /nfs/dbraw/zinc/90/26/50/1081902650.db2.gz WNFGOJSOCCQWAO-MRXNPFEDSA-N 2 0 324.428 2.332 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCC[NH+]1CCCC1 ZINC001266247506 1081915498 /nfs/dbraw/zinc/91/54/98/1081915498.db2.gz NAKFMORQWFSODA-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482480604 1081980406 /nfs/dbraw/zinc/98/04/06/1081980406.db2.gz GZSQUYZJURCBJH-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266545377 1082140585 /nfs/dbraw/zinc/14/05/85/1082140585.db2.gz NSWAFOWLHMCEKN-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266752775 1082322374 /nfs/dbraw/zinc/32/23/74/1082322374.db2.gz WRGJPWHWNYGOAX-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001272053796 1082340481 /nfs/dbraw/zinc/34/04/81/1082340481.db2.gz OTWCVMSSHMTVAP-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266845306 1082387688 /nfs/dbraw/zinc/38/76/88/1082387688.db2.gz WAUQCNUWJZEFAQ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]21 ZINC001496862296 1083052404 /nfs/dbraw/zinc/05/24/04/1083052404.db2.gz IWPVJWOHCWAXQI-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC1([NH+]2CCOCC2)CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC001413217237 1083445296 /nfs/dbraw/zinc/44/52/96/1083445296.db2.gz QOPJNSQVIZCYAD-UHFFFAOYSA-N 2 0 314.433 2.076 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547421 1083476490 /nfs/dbraw/zinc/47/64/90/1083476490.db2.gz MKLKHTWBSAIKJE-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001277382313 1083936368 /nfs/dbraw/zinc/93/63/68/1083936368.db2.gz JWVGLXJDUBHWSG-SFHVURJKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001490945283 1083967360 /nfs/dbraw/zinc/96/73/60/1083967360.db2.gz CZAAKIRDNDLLGN-KZNAEPCWSA-N 2 0 315.461 2.492 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491174409 1084130862 /nfs/dbraw/zinc/13/08/62/1084130862.db2.gz QHGPAHACFANAJO-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001670924371 1084147530 /nfs/dbraw/zinc/14/75/30/1084147530.db2.gz XELXSEPMTYFYCZ-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH+](C)CC1 ZINC001272887542 1084430166 /nfs/dbraw/zinc/43/01/66/1084430166.db2.gz GNBIAYRVLWJDNF-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235511806 1084451711 /nfs/dbraw/zinc/45/17/11/1084451711.db2.gz HABIOQMGSMSZOJ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494135447 1085135187 /nfs/dbraw/zinc/13/51/87/1085135187.db2.gz PZNNTMSGQKPIQE-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960275851 1085177413 /nfs/dbraw/zinc/17/74/13/1085177413.db2.gz OWVSBUQZLVQZCB-KZNAEPCWSA-N 2 0 313.445 2.029 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CCC)CC2)CC1 ZINC000964437049 1085227540 /nfs/dbraw/zinc/22/75/40/1085227540.db2.gz KBXKEGOHBNSKPY-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001486376479 1085248306 /nfs/dbraw/zinc/24/83/06/1085248306.db2.gz FSMNFOFGJWVEBK-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000965933251 1085700767 /nfs/dbraw/zinc/70/07/67/1085700767.db2.gz VPYKDNAZPGFBGJ-HVEGKCCWSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000957031847 1087973709 /nfs/dbraw/zinc/97/37/09/1087973709.db2.gz CEIORVZVTUDZGL-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001079805101 1088428720 /nfs/dbraw/zinc/42/87/20/1088428720.db2.gz JAFMQSNCNDYEJX-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558901 1089060671 /nfs/dbraw/zinc/06/06/71/1089060671.db2.gz KHOZCVOGFICEFT-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001082942018 1090109976 /nfs/dbraw/zinc/10/99/76/1090109976.db2.gz ZEPGNNBMZUHIIG-BPLDGKMQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001274344921 1091195633 /nfs/dbraw/zinc/19/56/33/1091195633.db2.gz IJWKRXJXXFVENB-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274369462 1091211229 /nfs/dbraw/zinc/21/12/29/1091211229.db2.gz QMNDMMPBUACVBW-IWAYRVGRSA-N 2 0 311.445 2.037 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001274398422 1091224087 /nfs/dbraw/zinc/22/40/87/1091224087.db2.gz NQAOGAWAEDCNDT-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001275072382 1091541044 /nfs/dbraw/zinc/54/10/44/1091541044.db2.gz OXDDMAZLLQVOJZ-IEBWSBKVSA-N 2 0 315.461 2.276 20 30 DEEDRP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1C#N ZINC001275373772 1091699223 /nfs/dbraw/zinc/69/92/23/1091699223.db2.gz ORDRQYMMIGFYDP-OALUTQOASA-N 2 0 312.461 2.077 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674451 1091877286 /nfs/dbraw/zinc/87/72/86/1091877286.db2.gz XXIVAEORTRURDX-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001273554513 1091921677 /nfs/dbraw/zinc/92/16/77/1091921677.db2.gz WZOOOAIYEYZIHB-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001490348735 1093295745 /nfs/dbraw/zinc/29/57/45/1093295745.db2.gz HCIOFQPATAXARJ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001490599516 1093437426 /nfs/dbraw/zinc/43/74/26/1093437426.db2.gz QXWAAAJPWDIRFW-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C[NH+](C)CCN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC001236931576 1138459939 /nfs/dbraw/zinc/45/99/39/1138459939.db2.gz GIXKPBIJKMIONB-QGZVFWFLSA-N 2 0 320.868 2.327 20 30 DEEDRP CCCCCCCCNC(=O)NCCC[N@H+](C)CCC[NH3+] ZINC001239231557 1139001079 /nfs/dbraw/zinc/00/10/79/1139001079.db2.gz QIHYIBAPHVLHBN-UHFFFAOYSA-N 2 0 300.491 2.317 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318482849 1140346385 /nfs/dbraw/zinc/34/63/85/1140346385.db2.gz MTBXCASRINKQSO-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCC1 ZINC001318635693 1140377178 /nfs/dbraw/zinc/37/71/78/1140377178.db2.gz CXQKGMHSTGNOLH-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001319122449 1140508314 /nfs/dbraw/zinc/50/83/14/1140508314.db2.gz HRWSNROWPRJINT-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001280889347 1140537288 /nfs/dbraw/zinc/53/72/88/1140537288.db2.gz NWGUNBCDOFBIHJ-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001319631334 1140629510 /nfs/dbraw/zinc/62/95/10/1140629510.db2.gz NWKQXNUDPDBWLJ-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001319659892 1140648029 /nfs/dbraw/zinc/64/80/29/1140648029.db2.gz OPABEXYZHWIJSF-NVXWUHKLSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001320184432 1140836150 /nfs/dbraw/zinc/83/61/50/1140836150.db2.gz AASHTEYKPRSSEO-MSOLQXFVSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278438811 1140877474 /nfs/dbraw/zinc/87/74/74/1140877474.db2.gz XRAXVTPZBYTNII-DOTOQJQBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321278272 1141117932 /nfs/dbraw/zinc/11/79/32/1141117932.db2.gz DGQOWKNYVQVWIU-DKRLNXSXSA-N 2 0 307.482 2.479 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001323114725 1141813914 /nfs/dbraw/zinc/81/39/14/1141813914.db2.gz UPWSFDDYODIOBT-SJORKVTESA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001323520166 1141861522 /nfs/dbraw/zinc/86/15/22/1141861522.db2.gz SFSXWSRORZMTII-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001324620141 1142157048 /nfs/dbraw/zinc/15/70/48/1142157048.db2.gz PYOPYHIPYXXDTB-SJLPKXTDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278685530 1142827736 /nfs/dbraw/zinc/82/77/36/1142827736.db2.gz AEYGEHCOSLVGPU-SJLPKXTDSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C[C@@H](O)C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001253578133 1142882070 /nfs/dbraw/zinc/88/20/70/1142882070.db2.gz WDISGYMNFSYDOT-GOSISDBHSA-N 2 0 315.461 2.305 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254522563 1143201034 /nfs/dbraw/zinc/20/10/34/1143201034.db2.gz ORXHYADGVPGDBK-FGTMMUONSA-N 2 0 308.466 2.297 20 30 DEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001341768087 1143702237 /nfs/dbraw/zinc/70/22/37/1143702237.db2.gz PEAVLPUMFJPSSB-KKUMJFAQSA-N 2 0 301.450 2.223 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001279038022 1143950314 /nfs/dbraw/zinc/95/03/14/1143950314.db2.gz DBJXSZQWDUYGTI-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@H]1CC[NH2+]C1)C(C)C ZINC001262093063 1144289507 /nfs/dbraw/zinc/28/95/07/1144289507.db2.gz QKXPGVDYBPBJDQ-IRXDYDNUSA-N 2 0 322.497 2.078 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001264462026 1144542575 /nfs/dbraw/zinc/54/25/75/1144542575.db2.gz OUJKWMKTAIVDHS-JQHSSLGASA-N 2 0 319.493 2.169 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001265197552 1144664727 /nfs/dbraw/zinc/66/47/27/1144664727.db2.gz UMNLTNLAAYGWGC-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001265334203 1144694921 /nfs/dbraw/zinc/69/49/21/1144694921.db2.gz MEOGPONPRAASMZ-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001265333690 1144695118 /nfs/dbraw/zinc/69/51/18/1144695118.db2.gz BMLNRJIAOLPROC-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001279585847 1144825366 /nfs/dbraw/zinc/82/53/66/1144825366.db2.gz DJFDENMWNCQRLS-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001280350542 1144836148 /nfs/dbraw/zinc/83/61/48/1144836148.db2.gz LLKWYDTXFGFSKM-QAPCUYQASA-N 2 0 315.461 2.173 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001280499386 1144842857 /nfs/dbraw/zinc/84/28/57/1144842857.db2.gz CVTWOXNHPNEOBH-QGZVFWFLSA-N 2 0 317.477 2.045 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001281889097 1144918111 /nfs/dbraw/zinc/91/81/11/1144918111.db2.gz TWFWXKPZZUKOTG-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001282161063 1145003311 /nfs/dbraw/zinc/00/33/11/1145003311.db2.gz ODFFHIKEPGZTJA-OLZOCXBDSA-N 2 0 300.406 2.315 20 30 DEEDRP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001282295043 1145030589 /nfs/dbraw/zinc/03/05/89/1145030589.db2.gz MLCLKCRZADASMX-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001282616562 1145099082 /nfs/dbraw/zinc/09/90/82/1145099082.db2.gz XMGYCNYCZVNFAT-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001282960075 1145214497 /nfs/dbraw/zinc/21/44/97/1145214497.db2.gz XRXNJSNUNSHQAZ-KSZLIROESA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001283316727 1145359065 /nfs/dbraw/zinc/35/90/65/1145359065.db2.gz GPGLCKVTYKBWCA-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001283332328 1145365934 /nfs/dbraw/zinc/36/59/34/1145365934.db2.gz XMJTTXCYCDNEOM-SFHVURJKSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001284335004 1145838393 /nfs/dbraw/zinc/83/83/93/1145838393.db2.gz JIUGYJJTWFLIRI-JKSUJKDBSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001284620155 1145880429 /nfs/dbraw/zinc/88/04/29/1145880429.db2.gz XPTMOPXEDQKINP-DLBZAZTESA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCCC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001284732019 1145897240 /nfs/dbraw/zinc/89/72/40/1145897240.db2.gz VNKUCVBUCQCBKO-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491857455 1146923007 /nfs/dbraw/zinc/92/30/07/1146923007.db2.gz SLMUPSGFIUPJEA-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001492154732 1147101965 /nfs/dbraw/zinc/10/19/65/1147101965.db2.gz SKJHYUSSQKZYMJ-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001366234748 1147144664 /nfs/dbraw/zinc/14/46/64/1147144664.db2.gz XTKKNNFQFBPWGC-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001366460800 1147294395 /nfs/dbraw/zinc/29/43/95/1147294395.db2.gz MSKRZOHCQLVIRX-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001316707772 1147372780 /nfs/dbraw/zinc/37/27/80/1147372780.db2.gz GDCFAVSGZHMWNC-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001316937924 1147573908 /nfs/dbraw/zinc/57/39/08/1147573908.db2.gz ROGDMJQSDPJVCY-JKSUJKDBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317064510 1147655241 /nfs/dbraw/zinc/65/52/41/1147655241.db2.gz RWZXJIOGYSRMDM-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001317124253 1147662641 /nfs/dbraw/zinc/66/26/41/1147662641.db2.gz FSDBWRXHQRAIOV-WCXIOVBPSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001367227012 1147666323 /nfs/dbraw/zinc/66/63/23/1147666323.db2.gz FTDXBOQEKWDQJU-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317179863 1147672305 /nfs/dbraw/zinc/67/23/05/1147672305.db2.gz YFOOGKJUACAACZ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317186989 1147673127 /nfs/dbraw/zinc/67/31/27/1147673127.db2.gz CHWMFAYSCVWPFT-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317342100 1147693290 /nfs/dbraw/zinc/69/32/90/1147693290.db2.gz FNXDNSGRYVBVDC-AEFFLSMTSA-N 2 0 315.461 2.304 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001317513587 1147718431 /nfs/dbraw/zinc/71/84/31/1147718431.db2.gz MVBSMDCZPBXTRF-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317525985 1147720244 /nfs/dbraw/zinc/72/02/44/1147720244.db2.gz DGLRWDRPMXEPDZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001324739890 1147838787 /nfs/dbraw/zinc/83/87/87/1147838787.db2.gz DMDBZHISSSAZNX-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001325467312 1147919644 /nfs/dbraw/zinc/91/96/44/1147919644.db2.gz RPGICWBKESFZJS-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001325778778 1147998895 /nfs/dbraw/zinc/99/88/95/1147998895.db2.gz LYWQMIVHZWGQAD-OKZBNKHCSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001326603292 1148159203 /nfs/dbraw/zinc/15/92/03/1148159203.db2.gz KEHFCAGTSZTIPL-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181690176 199339349 /nfs/dbraw/zinc/33/93/49/199339349.db2.gz ALRYGAMHUKJDSE-JKSUJKDBSA-N 2 0 300.450 2.092 20 30 DEEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000186060682 186237008 /nfs/dbraw/zinc/23/70/08/186237008.db2.gz XGPSKVZGXPADOU-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189978291 186257710 /nfs/dbraw/zinc/25/77/10/186257710.db2.gz OXVVRPOXYOWSSB-MRXNPFEDSA-N 2 0 300.450 2.189 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181500625 356083916 /nfs/dbraw/zinc/08/39/16/356083916.db2.gz PPIXBTVNCCDQMA-CVEARBPZSA-N 2 0 300.450 2.235 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000593323920 358054297 /nfs/dbraw/zinc/05/42/97/358054297.db2.gz SXWYPIWOTZLYPH-PKOBYXMFSA-N 2 0 312.461 2.240 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000593323918 358054481 /nfs/dbraw/zinc/05/44/81/358054481.db2.gz SXWYPIWOTZLYPH-IEBWSBKVSA-N 2 0 312.461 2.240 20 30 DEEDRP C[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321951 358054714 /nfs/dbraw/zinc/05/47/14/358054714.db2.gz JZTLPHOFXCNMOQ-KXBFYZLASA-N 2 0 312.461 2.253 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000602595871 360449066 /nfs/dbraw/zinc/44/90/66/360449066.db2.gz FKKASSPWPJQINC-MAUKXSAKSA-N 2 0 301.434 2.283 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275729604 212506902 /nfs/dbraw/zinc/50/69/02/212506902.db2.gz XECIXVMZGDHRLM-UHFFFAOYSA-N 2 0 313.445 2.074 20 30 DEEDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000266232844 205202586 /nfs/dbraw/zinc/20/25/86/205202586.db2.gz UYNSSPNTJOTXMZ-UHFFFAOYSA-N 2 0 313.401 2.424 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000289384997 285251051 /nfs/dbraw/zinc/25/10/51/285251051.db2.gz CZUICOKHMSCZEO-LJQANCHMSA-N 2 0 314.477 2.406 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000111244682 401702804 /nfs/dbraw/zinc/70/28/04/401702804.db2.gz MYLHZGFRSRVETN-HNNXBMFYSA-N 2 0 302.422 2.109 20 30 DEEDRP C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000152383037 402093752 /nfs/dbraw/zinc/09/37/52/402093752.db2.gz DBPDAAUMCRSEBI-ZDUSSCGKSA-N 2 0 320.462 2.222 20 30 DEEDRP CCCNC(=[NH2+])NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000104165869 402199695 /nfs/dbraw/zinc/19/96/95/402199695.db2.gz DOXBVOHYZOWYEQ-UHFFFAOYSA-N 2 0 306.454 2.222 20 30 DEEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000185896066 402387015 /nfs/dbraw/zinc/38/70/15/402387015.db2.gz NEIVTSZYCVXKRZ-IPELMVKDSA-N 2 0 313.445 2.425 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000170912041 402540696 /nfs/dbraw/zinc/54/06/96/402540696.db2.gz VAPNWWNXKXDCHK-HNNXBMFYSA-N 2 0 318.465 2.220 20 30 DEEDRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278351019 402863020 /nfs/dbraw/zinc/86/30/20/402863020.db2.gz ZBODZAOCJTZADA-GOSISDBHSA-N 2 0 300.450 2.236 20 30 DEEDRP CN(C(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000273347892 402996448 /nfs/dbraw/zinc/99/64/48/402996448.db2.gz PEVSJFDCYHNDBU-CYBMUJFWSA-N 2 0 306.479 2.369 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000269476992 403142319 /nfs/dbraw/zinc/14/23/19/403142319.db2.gz VTGMMZBJAYLDOX-OAHLLOKOSA-N 2 0 306.454 2.313 20 30 DEEDRP C[C@@H](CCC#N)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000298636811 403429347 /nfs/dbraw/zinc/42/93/47/403429347.db2.gz WKIJFJMYRWMPTA-SFHVURJKSA-N 2 0 314.477 2.428 20 30 DEEDRP C=CCC[C@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305078366 403822989 /nfs/dbraw/zinc/82/29/89/403822989.db2.gz LRPZBYHYRRFFKB-JZXOWHBKSA-N 2 0 310.482 2.135 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000352049957 404110668 /nfs/dbraw/zinc/11/06/68/404110668.db2.gz OVTOWFXXQWSPQY-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000328617305 404114770 /nfs/dbraw/zinc/11/47/70/404114770.db2.gz UBFGQJHWWBUZMC-SOUVJXGZSA-N 2 0 319.453 2.137 20 30 DEEDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000567285373 292302712 /nfs/dbraw/zinc/30/27/12/292302712.db2.gz UUVJMYLNALBCND-LJQANCHMSA-N 2 0 312.461 2.163 20 30 DEEDRP C=CC[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414690584 404709448 /nfs/dbraw/zinc/70/94/48/404709448.db2.gz HTYBDFTZQDRQLN-KRWDZBQOSA-N 2 0 307.482 2.252 20 30 DEEDRP CN(C)C(=[NH+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000366821880 404852716 /nfs/dbraw/zinc/85/27/16/404852716.db2.gz PXLTXGHJDSBDGQ-GOSISDBHSA-N 2 0 302.466 2.378 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416151755 405038413 /nfs/dbraw/zinc/03/84/13/405038413.db2.gz SEERNUAVDBSKLX-SFHVURJKSA-N 2 0 315.461 2.446 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423386633 405785280 /nfs/dbraw/zinc/78/52/80/405785280.db2.gz MDEHFBHGJKIMBS-HKUYNNGSSA-N 2 0 312.461 2.382 20 30 DEEDRP [NH2+]=C(NCC[NH+]1CCCC1)Nc1ccccc1OC(F)(F)F ZINC000178573544 224865416 /nfs/dbraw/zinc/86/54/16/224865416.db2.gz RCOQMGUINGFATC-UHFFFAOYSA-N 2 0 316.327 2.408 20 30 DEEDRP CN(C)C(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245698594 225221429 /nfs/dbraw/zinc/22/14/29/225221429.db2.gz MYSJQDHVHILSFD-BXUZGUMPSA-N 2 0 312.820 2.348 20 30 DEEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)N1 ZINC000262680330 225281715 /nfs/dbraw/zinc/28/17/15/225281715.db2.gz VTJHDCQHYCIUJY-IXPVHAAZSA-N 2 0 324.831 2.409 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)N1 ZINC000262676297 225281939 /nfs/dbraw/zinc/28/19/39/225281939.db2.gz UAIUIAVTSIDESI-HLLBOEOZSA-N 2 0 300.450 2.224 20 30 DEEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001355067120 1151977705 /nfs/dbraw/zinc/97/77/05/1151977705.db2.gz QJYHJIGNSRANSG-RDJZCZTQSA-N 2 0 320.481 2.026 20 30 DEEDRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422980166 230304012 /nfs/dbraw/zinc/30/40/12/230304012.db2.gz OQZCEKLBEMKNEL-ZFWWWQNUSA-N 2 0 304.413 2.383 20 30 DEEDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422984958 230305186 /nfs/dbraw/zinc/30/51/86/230305186.db2.gz BSZQHUOHLQVDNV-IAOVAPTHSA-N 2 0 319.474 2.133 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C(C)C ZINC000655444352 425568099 /nfs/dbraw/zinc/56/80/99/425568099.db2.gz COUIIBQSWVNYDQ-ZHALLVOQSA-N 2 0 319.493 2.191 20 30 DEEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662663003 425706763 /nfs/dbraw/zinc/70/67/63/425706763.db2.gz BPPSARUQZOLWKT-IEBWSBKVSA-N 2 0 313.445 2.075 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662683899 425712728 /nfs/dbraw/zinc/71/27/28/425712728.db2.gz SRIALKCFTIATET-GOSISDBHSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)C(C)C ZINC000370846158 277849599 /nfs/dbraw/zinc/84/95/99/277849599.db2.gz KMRIDLZAQMJDGR-FUHWJXTLSA-N 2 0 307.482 2.191 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970997 782090375 /nfs/dbraw/zinc/09/03/75/782090375.db2.gz XGRGLPDFNHOJDX-FGTMMUONSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357363126 1152292753 /nfs/dbraw/zinc/29/27/53/1152292753.db2.gz WKVDNPTVIQMNKE-ZWKOTPCHSA-N 2 0 315.461 2.451 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001401078326 1161868211 /nfs/dbraw/zinc/86/82/11/1161868211.db2.gz GECHIPGRQOXPHM-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001402064261 1162233943 /nfs/dbraw/zinc/23/39/43/1162233943.db2.gz ZGPGNYPXLQZBJY-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1sccc1C#N ZINC000337219318 522744505 /nfs/dbraw/zinc/74/45/05/522744505.db2.gz CKWPLGMNJYNPJU-UHFFFAOYSA-N 2 0 320.462 2.366 20 30 DEEDRP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264118719 527955561 /nfs/dbraw/zinc/95/55/61/527955561.db2.gz UHEHLWKSCCCYNT-KRWDZBQOSA-N 2 0 302.466 2.111 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)s1 ZINC000264114840 529101348 /nfs/dbraw/zinc/10/13/48/529101348.db2.gz SBYHWBQKBNKDOQ-NSHDSACASA-N 2 0 314.886 2.333 20 30 DEEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001327528612 1148580848 /nfs/dbraw/zinc/58/08/48/1148580848.db2.gz BOVKDVINOIJAPU-MJGOQNOKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489416 625294325 /nfs/dbraw/zinc/29/43/25/625294325.db2.gz BPAAWLXHZHQKEF-OAHLLOKOSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023559545 625326827 /nfs/dbraw/zinc/32/68/27/625326827.db2.gz ATTZINPGIDADOQ-OAHLLOKOSA-N 2 0 319.449 2.359 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023762225 625428215 /nfs/dbraw/zinc/42/82/15/625428215.db2.gz UQWOFJDKJKQSNF-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947311117 625447171 /nfs/dbraw/zinc/44/71/71/625447171.db2.gz YGFKSEPNIGYPNI-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001026429511 625453099 /nfs/dbraw/zinc/45/30/99/625453099.db2.gz XZGVHELDHRBYSD-OKZBNKHCSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470508 625465319 /nfs/dbraw/zinc/46/53/19/625465319.db2.gz YKINQCMEEIICOZ-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC000170907946 625472208 /nfs/dbraw/zinc/47/22/08/625472208.db2.gz BADOWBYHKCMMFH-KRWDZBQOSA-N 2 0 318.465 2.387 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026507138 625488232 /nfs/dbraw/zinc/48/82/32/625488232.db2.gz NSAHXAZMKJRPCT-OFLPRAFFSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969118529 622573419 /nfs/dbraw/zinc/57/34/19/622573419.db2.gz RAMKSIFDTBIUNH-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000969156497 622596695 /nfs/dbraw/zinc/59/66/95/622596695.db2.gz UJJGIYJZRGQLNY-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833091 622942408 /nfs/dbraw/zinc/94/24/08/622942408.db2.gz LPNGSHFCIHHWDU-QAPCUYQASA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025602197 625625042 /nfs/dbraw/zinc/62/50/42/625625042.db2.gz ZFZVLHVBJGUNJG-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000970396286 623438853 /nfs/dbraw/zinc/43/88/53/623438853.db2.gz OWIMVGQFMMWZEY-MRXNPFEDSA-N 2 0 310.401 2.253 20 30 DEEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970717638 623640096 /nfs/dbraw/zinc/64/00/96/623640096.db2.gz FNWSVJZCIFJBIS-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021698881 623981306 /nfs/dbraw/zinc/98/13/06/623981306.db2.gz FEJQXGZLYZKJKF-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022351274 624612047 /nfs/dbraw/zinc/61/20/47/624612047.db2.gz VRXNNJLBZZRGKB-QLFBSQMISA-N 2 0 313.873 2.096 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737667 625025724 /nfs/dbraw/zinc/02/57/24/625025724.db2.gz LIAAQKIGBSXPMO-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551480 625231980 /nfs/dbraw/zinc/23/19/80/625231980.db2.gz LBMNIVIYTRLIHV-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP 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 625784913 /nfs/dbraw/zinc/78/49/13/625784913.db2.gz ORZYARZXYADDEM-SFFUCWETSA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001024513907 625831139 /nfs/dbraw/zinc/83/11/39/625831139.db2.gz ULMXRHZWULUEIO-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024524247 625837743 /nfs/dbraw/zinc/83/77/43/625837743.db2.gz UNLKRZBCRDQYQL-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531568 625848856 /nfs/dbraw/zinc/84/88/56/625848856.db2.gz TUIVKNMXWPIGIN-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535830 625852673 /nfs/dbraw/zinc/85/26/73/625852673.db2.gz YKXMFPHGQHWJRG-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024619887 625937280 /nfs/dbraw/zinc/93/72/80/625937280.db2.gz HDNIYLXISJWUFY-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999128306 634483163 /nfs/dbraw/zinc/48/31/63/634483163.db2.gz WDXXLKTXWVEDJT-UHFFFAOYSA-N 2 0 318.808 2.279 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)c3ccn4c[nH+]cc4c3)CC2)CC1 ZINC001000200977 634787636 /nfs/dbraw/zinc/78/76/36/634787636.db2.gz BHBWKCOKNGECDJ-UHFFFAOYSA-N 2 0 324.428 2.495 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001000244784 634822557 /nfs/dbraw/zinc/82/25/57/634822557.db2.gz NLFPSFNZPOEPEM-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995791510 633122621 /nfs/dbraw/zinc/12/26/21/633122621.db2.gz HXKQNYHWPRFBRR-JKSUJKDBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1(C)C ZINC000996103987 633185191 /nfs/dbraw/zinc/18/51/91/633185191.db2.gz ZFTAXDDYCCSBCB-DLBZAZTESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996378069 633250561 /nfs/dbraw/zinc/25/05/61/633250561.db2.gz DFRKXCYJXMIYDW-HOTGVXAUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC000996416023 633257048 /nfs/dbraw/zinc/25/70/48/633257048.db2.gz ZIESBZFQSDAIJP-KRWDZBQOSA-N 2 0 315.461 2.374 20 30 DEEDRP CCOCCC[N@@H+]1CCC(=NNCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000735226799 633487241 /nfs/dbraw/zinc/48/72/41/633487241.db2.gz ARRPIIHFFRORAE-QGZVFWFLSA-N 2 0 324.513 2.186 20 30 DEEDRP CCOCCC[N@@H+]1CCC(=NNCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000735226798 633487295 /nfs/dbraw/zinc/48/72/95/633487295.db2.gz ARRPIIHFFRORAE-KRWDZBQOSA-N 2 0 324.513 2.186 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997096824 633574180 /nfs/dbraw/zinc/57/41/80/633574180.db2.gz CPLHIGVNJJPPLX-BFYDXBDKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997420372 633760036 /nfs/dbraw/zinc/76/00/36/633760036.db2.gz HYLGEGWOAKWMNU-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027442154 633796300 /nfs/dbraw/zinc/79/63/00/633796300.db2.gz BRQODCFYGLBELI-HUUCEWRRSA-N 2 0 313.873 2.002 20 30 DEEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000104162946 633796902 /nfs/dbraw/zinc/79/69/02/633796902.db2.gz CWJFHWCDKRDKCB-UHFFFAOYSA-N 2 0 320.506 2.390 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977217250 633882686 /nfs/dbraw/zinc/88/26/86/633882686.db2.gz RIMFOTZLIPBBRQ-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997584369 633884065 /nfs/dbraw/zinc/88/40/65/633884065.db2.gz MUUXZQODHUKWCY-MAUKXSAKSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977653273 634081968 /nfs/dbraw/zinc/08/19/68/634081968.db2.gz IIABYVNAMXTZDM-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cccc3nccn32)CC1 ZINC000998064381 634129221 /nfs/dbraw/zinc/12/92/21/634129221.db2.gz RXCOBTHRJZFVJS-INIZCTEOSA-N 2 0 324.428 2.284 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027602065 634255622 /nfs/dbraw/zinc/25/56/22/634255622.db2.gz KQGKXKMRRMCICJ-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602067 634255849 /nfs/dbraw/zinc/25/58/49/634255849.db2.gz KRCCBLYJKWBQCF-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978473556 634331624 /nfs/dbraw/zinc/33/16/24/634331624.db2.gz UVYDPMFEBLILEK-NNZMDNLPSA-N 2 0 324.428 2.208 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980138380 634857579 /nfs/dbraw/zinc/85/75/79/634857579.db2.gz DKBLICRWCOZKOW-ULQDDVLXSA-N 2 0 324.428 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000374648 635162859 /nfs/dbraw/zinc/16/28/59/635162859.db2.gz WEKWFGJAIYVKNE-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000981091786 635305677 /nfs/dbraw/zinc/30/56/77/635305677.db2.gz QSKOFJBDIJSVPS-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981147567 635332730 /nfs/dbraw/zinc/33/27/30/635332730.db2.gz VFIYEYWOXOHAOM-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981330338 635437784 /nfs/dbraw/zinc/43/77/84/635437784.db2.gz DPXQBFPXXGSZHO-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000981338790 635443975 /nfs/dbraw/zinc/44/39/75/635443975.db2.gz ZSGUADPYIKIHHB-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001001352799 635471922 /nfs/dbraw/zinc/47/19/22/635471922.db2.gz BCNJCIJZDJQWQM-GOSISDBHSA-N 2 0 317.477 2.023 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001001426796 635496420 /nfs/dbraw/zinc/49/64/20/635496420.db2.gz XGVDDWKSKQKNER-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000981540780 635523408 /nfs/dbraw/zinc/52/34/08/635523408.db2.gz GCUUWXQBEMKVAA-IRXDYDNUSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001002045588 635605122 /nfs/dbraw/zinc/60/51/22/635605122.db2.gz LTVUGTINHSGJCO-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028252129 635960930 /nfs/dbraw/zinc/96/09/30/635960930.db2.gz QWAHIEWPCJRSDC-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001003604908 636005206 /nfs/dbraw/zinc/00/52/06/636005206.db2.gz BMVLXFCXCMMAFI-OAHLLOKOSA-N 2 0 316.449 2.376 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579552 636372068 /nfs/dbraw/zinc/37/20/68/636372068.db2.gz GVXBKDKFHHTEJT-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccccc1Cl ZINC000073762887 636459709 /nfs/dbraw/zinc/45/97/09/636459709.db2.gz KGHWTCKDCGKEKK-ZDUSSCGKSA-N 2 0 308.857 2.299 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004460731 636460415 /nfs/dbraw/zinc/46/04/15/636460415.db2.gz WEOUVSAKOZEXMF-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594512 636464501 /nfs/dbraw/zinc/46/45/01/636464501.db2.gz HQLPNQVCWCLSNM-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594510 636464591 /nfs/dbraw/zinc/46/45/91/636464591.db2.gz HQLPNQVCWCLSNM-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547142 636484839 /nfs/dbraw/zinc/48/48/39/636484839.db2.gz LSZMOAVABCFNAI-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547479 636484892 /nfs/dbraw/zinc/48/48/92/636484892.db2.gz NCYICDKDXFAEIX-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001005388720 636729738 /nfs/dbraw/zinc/72/97/38/636729738.db2.gz AXDWKZOUZLDJAB-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711904 636801963 /nfs/dbraw/zinc/80/19/63/636801963.db2.gz WTIGNUBTDSGAOM-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000923358472 637133064 /nfs/dbraw/zinc/13/30/64/637133064.db2.gz HMELWKOEDXBJNZ-GBESFXJTSA-N 2 0 313.445 2.303 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006292827 637331632 /nfs/dbraw/zinc/33/16/32/637331632.db2.gz UTMOACSGYDZWJI-WMZOPIPTSA-N 2 0 319.493 2.053 20 30 DEEDRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CC#Cc3ccccc3)cc2)C1 ZINC000895336493 637941105 /nfs/dbraw/zinc/94/11/05/637941105.db2.gz GSWWPYWSPYBZBN-NRFANRHFSA-N 2 0 320.436 2.395 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC000985696330 639589519 /nfs/dbraw/zinc/58/95/19/639589519.db2.gz JBLGGLPOEBUVJW-AWEZNQCLSA-N 2 0 304.438 2.087 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000985754309 639617392 /nfs/dbraw/zinc/61/73/92/639617392.db2.gz AXWGLQICSFGOJS-UHFFFAOYSA-N 2 0 316.449 2.260 20 30 DEEDRP N#Cc1ccc(NCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000897396769 639953202 /nfs/dbraw/zinc/95/32/02/639953202.db2.gz QRYUJCNZLOUJES-UHFFFAOYSA-N 2 0 322.416 2.019 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000764075697 640601229 /nfs/dbraw/zinc/60/12/29/640601229.db2.gz NVJVHLFUQWYKQS-KRWDZBQOSA-N 2 0 303.450 2.304 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606744 641167454 /nfs/dbraw/zinc/16/74/54/641167454.db2.gz UKCXEDHPRMFTHE-LSDHHAIUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767729 641985572 /nfs/dbraw/zinc/98/55/72/641985572.db2.gz YOKTUTODHXFHPN-ZMMAXQRCSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792885 642095438 /nfs/dbraw/zinc/09/54/38/642095438.db2.gz WHIGLMIQJDRRAO-KONPQCLYSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000900616069 642424479 /nfs/dbraw/zinc/42/44/79/642424479.db2.gz DPHQKCPHEBXKRY-UHFFFAOYSA-N 2 0 319.449 2.464 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000900867664 642507679 /nfs/dbraw/zinc/50/76/79/642507679.db2.gz BBXBIFSARPUPFD-SFHVURJKSA-N 2 0 315.461 2.227 20 30 DEEDRP C[C@@H]1CNC(NN=C2CCCC[C@@H]2[N@H+]2C[C@H](C)C[C@H](C)C2)=[NH+]1 ZINC000779797181 642540094 /nfs/dbraw/zinc/54/00/94/642540094.db2.gz BJUCOIRDHKEEBI-CTASWTNQSA-N 2 0 305.470 2.200 20 30 DEEDRP N#CC1CCC(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000903474451 643359924 /nfs/dbraw/zinc/35/99/24/643359924.db2.gz MUBYTQNOIYBWFT-LEOMRAHMSA-N 2 0 305.466 2.407 20 30 DEEDRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]1 ZINC000903988827 643541071 /nfs/dbraw/zinc/54/10/71/643541071.db2.gz XYNQMFUSZCMNDQ-VYDXJSESSA-N 2 0 313.449 2.218 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000909929762 645252301 /nfs/dbraw/zinc/25/23/01/645252301.db2.gz MRTOXWFXOIBQTD-UHFFFAOYSA-N 2 0 323.412 2.213 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991858793 646671484 /nfs/dbraw/zinc/67/14/84/646671484.db2.gz HLCXMXOVENSFOW-AEFFLSMTSA-N 2 0 310.401 2.247 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136592 646867900 /nfs/dbraw/zinc/86/79/00/646867900.db2.gz KNWUSUUZGMDAEX-LISAXSMJSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992288780 646930131 /nfs/dbraw/zinc/93/01/31/646930131.db2.gz SNECTZFVZKUSHO-HKUYNNGSSA-N 2 0 319.493 2.408 20 30 DEEDRP CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cccc(C[NH+](C)C)c1 ZINC000814885591 646940389 /nfs/dbraw/zinc/94/03/89/646940389.db2.gz DZGCBWVHSSWUBO-IRXDYDNUSA-N 2 0 313.449 2.332 20 30 DEEDRP C=CCC(F)(F)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000815206145 646986613 /nfs/dbraw/zinc/98/66/13/646986613.db2.gz IJHSWZULEBEELN-CQSZACIVSA-N 2 0 317.424 2.072 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029643 648988424 /nfs/dbraw/zinc/98/84/24/648988424.db2.gz YIOCAKLMUIYIIP-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941076278 648994794 /nfs/dbraw/zinc/99/47/94/648994794.db2.gz VIOWICYQXCATQZ-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000827570142 649052459 /nfs/dbraw/zinc/05/24/59/649052459.db2.gz IPZVZVVICDSMDR-LJQANCHMSA-N 2 0 316.445 2.145 20 30 DEEDRP C=C(Cl)CN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858376 649108381 /nfs/dbraw/zinc/10/83/81/649108381.db2.gz OLSBITXPTTZXOJ-MRXNPFEDSA-N 2 0 321.852 2.305 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203332 649183094 /nfs/dbraw/zinc/18/30/94/649183094.db2.gz GXUCUBSYSZOGKB-KSSFIOAISA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582075 649253805 /nfs/dbraw/zinc/25/38/05/649253805.db2.gz ROXXCCVDEHITSN-GDBMZVCRSA-N 2 0 319.449 2.358 20 30 DEEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000849000020 651577635 /nfs/dbraw/zinc/57/76/35/651577635.db2.gz HCDKTTNDZJFDHT-CVEARBPZSA-N 2 0 310.486 2.324 20 30 DEEDRP CC(C)(C)[C@@]1(CN=NC(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC000857206758 652078159 /nfs/dbraw/zinc/07/81/59/652078159.db2.gz GFTXCWMYIYWUBW-QGZVFWFLSA-N 2 0 301.438 2.394 20 30 DEEDRP C#CC[C@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000858336004 652310115 /nfs/dbraw/zinc/31/01/15/652310115.db2.gz RMQHQUUDBOWEIW-GOSISDBHSA-N 2 0 316.445 2.289 20 30 DEEDRP CCC(CC)c1cc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)on1 ZINC000304804849 685262172 /nfs/dbraw/zinc/26/21/72/685262172.db2.gz QUVNLIGKAGNZEE-AWEZNQCLSA-N 2 0 321.469 2.467 20 30 DEEDRP CCNC(NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)=[NH+]CC ZINC000395901901 685460851 /nfs/dbraw/zinc/46/08/51/685460851.db2.gz LPVAWRMDWVIISB-GOSISDBHSA-N 2 0 302.466 2.474 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1Cl ZINC000130791417 684192662 /nfs/dbraw/zinc/19/26/62/684192662.db2.gz SGRASHLTIMNKII-ZDUSSCGKSA-N 2 0 324.856 2.107 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054133626 693857945 /nfs/dbraw/zinc/85/79/45/693857945.db2.gz HJAPJJKROILPGD-YQVWRLOYSA-N 2 0 319.493 2.217 20 30 DEEDRP CC(C)[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCCCC1 ZINC000303775670 685234751 /nfs/dbraw/zinc/23/47/51/685234751.db2.gz GWWYWEKFUWWXQE-HNNXBMFYSA-N 2 0 312.527 2.251 20 30 DEEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCC(C)C)Cc1ccccc1 ZINC000303876103 685236753 /nfs/dbraw/zinc/23/67/53/685236753.db2.gz DPWSZFXIBOBYEK-QGZVFWFLSA-N 2 0 304.482 2.500 20 30 DEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)C1 ZINC000303892645 685238964 /nfs/dbraw/zinc/23/89/64/685238964.db2.gz NUNBRBSZRFVNRE-LLVKDONJSA-N 2 0 310.829 2.417 20 30 DEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000865600108 687272782 /nfs/dbraw/zinc/27/27/82/687272782.db2.gz DKOBFJVQUXVKSY-HNNXBMFYSA-N 2 0 300.450 2.446 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016652741 687674727 /nfs/dbraw/zinc/67/47/27/687674727.db2.gz WILUTYIDUQTKMD-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016654254 687675634 /nfs/dbraw/zinc/67/56/34/687675634.db2.gz FHHSEYDLCFXSOH-DLBZAZTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001017942187 688006453 /nfs/dbraw/zinc/00/64/53/688006453.db2.gz OCRWQLQHCIGYDT-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918912 689020249 /nfs/dbraw/zinc/02/02/49/689020249.db2.gz WBKSEMPNHOJYFS-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001032802671 689264405 /nfs/dbraw/zinc/26/44/05/689264405.db2.gz JENGQGVQLMUQRH-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507093 689524628 /nfs/dbraw/zinc/52/46/28/689524628.db2.gz BRWYHJQFYRHOAB-KRWDZBQOSA-N 2 0 301.434 2.081 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571225 689547869 /nfs/dbraw/zinc/54/78/69/689547869.db2.gz MOXFTSYIWHBAEQ-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033926545 689663211 /nfs/dbraw/zinc/66/32/11/689663211.db2.gz FBUNTECWOOHXKV-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214394 689765731 /nfs/dbraw/zinc/76/57/31/689765731.db2.gz LLJHXROZOVTEOP-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291099 689797844 /nfs/dbraw/zinc/79/78/44/689797844.db2.gz PIKWOTMFWSZZKX-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479201 689866094 /nfs/dbraw/zinc/86/60/94/689866094.db2.gz UPTZFOZEGAVTPP-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000876721056 689914419 /nfs/dbraw/zinc/91/44/19/689914419.db2.gz QHSPZFNKPUQZND-INIZCTEOSA-N 2 0 321.852 2.369 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000876876531 689961264 /nfs/dbraw/zinc/96/12/64/689961264.db2.gz QOMIVWJTMUYQEW-OAHLLOKOSA-N 2 0 315.889 2.427 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035196238 690055951 /nfs/dbraw/zinc/05/59/51/690055951.db2.gz ZACRELXAGMHSFC-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035738748 690165210 /nfs/dbraw/zinc/16/52/10/690165210.db2.gz LJIIGAHAGQGUOZ-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035810967 690183257 /nfs/dbraw/zinc/18/32/57/690183257.db2.gz ZEWKSMBXCYPTQA-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001036269186 690305733 /nfs/dbraw/zinc/30/57/33/690305733.db2.gz ZUIQWFSMMRSPEK-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773320 690469353 /nfs/dbraw/zinc/46/93/53/690469353.db2.gz LEFTZPRAMGNXAK-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039293939 691076105 /nfs/dbraw/zinc/07/61/05/691076105.db2.gz FVYWYEVNFDSIEZ-NPYXIHBLSA-N 2 0 307.482 2.260 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039423690 691103036 /nfs/dbraw/zinc/10/30/36/691103036.db2.gz HILBGPDVDAOCCS-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001039437119 691105792 /nfs/dbraw/zinc/10/57/92/691105792.db2.gz BIUOTVCREGIIHG-KSZLIROESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040261323 691222110 /nfs/dbraw/zinc/22/21/10/691222110.db2.gz MLUBHCCNODACKX-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040914232 691298342 /nfs/dbraw/zinc/29/83/42/691298342.db2.gz MOFNPUDIHJGEGV-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357416 691367234 /nfs/dbraw/zinc/36/72/34/691367234.db2.gz HFDWKKIHFVWQBV-PKOBYXMFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041408138 691372543 /nfs/dbraw/zinc/37/25/43/691372543.db2.gz KWZMMPBEFSQZPR-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042188266 691532896 /nfs/dbraw/zinc/53/28/96/691532896.db2.gz RGCKWYPQNSEWBJ-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045557293 691996781 /nfs/dbraw/zinc/99/67/81/691996781.db2.gz FYYODVFSDVGOJA-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046561659 692223990 /nfs/dbraw/zinc/22/39/90/692223990.db2.gz JAOBVZDQFAIFNJ-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001048539821 692642835 /nfs/dbraw/zinc/64/28/35/692642835.db2.gz MGIAVCRBCRTYFY-YVSFHVDLSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048912073 692721481 /nfs/dbraw/zinc/72/14/81/692721481.db2.gz XSYHNLJIHCJVHF-IYBDPMFKSA-N 2 0 324.428 2.223 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095227 692762337 /nfs/dbraw/zinc/76/23/37/692762337.db2.gz VGUQHCZPXVPSLG-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235655 692796811 /nfs/dbraw/zinc/79/68/11/692796811.db2.gz QJSLNHBZYDVEIY-KSZLIROESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049535934 692915101 /nfs/dbraw/zinc/91/51/01/692915101.db2.gz LEUQRJONYWFYRV-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571575 692926413 /nfs/dbraw/zinc/92/64/13/692926413.db2.gz DVXXROQQUIWTCS-SJORKVTESA-N 2 0 310.401 2.199 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049663289 692958181 /nfs/dbraw/zinc/95/81/81/692958181.db2.gz LUDMUOARTMAGIH-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049663294 692958208 /nfs/dbraw/zinc/95/82/08/692958208.db2.gz LUDMUOARTMAGIH-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049763777 692992431 /nfs/dbraw/zinc/99/24/31/692992431.db2.gz YOSAUIULJFYFFY-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051379 693093274 /nfs/dbraw/zinc/09/32/74/693093274.db2.gz RMGCIURCTRSKFU-XMTFNYHQSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157392 693124444 /nfs/dbraw/zinc/12/44/44/693124444.db2.gz DDCNVOVAIQVMSD-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001050536862 693202659 /nfs/dbraw/zinc/20/26/59/693202659.db2.gz OZSFBCHJPSOPJG-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052717523 693602720 /nfs/dbraw/zinc/60/27/20/693602720.db2.gz WJFNHCOJPNVRDX-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)CN1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402220535 1162295620 /nfs/dbraw/zinc/29/56/20/1162295620.db2.gz GFBDULGHFUJPEU-MRXNPFEDSA-N 2 0 315.889 2.297 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001332218713 1149836792 /nfs/dbraw/zinc/83/67/92/1149836792.db2.gz LRTHLIYYKBKGLY-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001381302804 1152997974 /nfs/dbraw/zinc/99/79/74/1152997974.db2.gz YFMSQPYPVYQTEW-AWEZNQCLSA-N 2 0 301.862 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001382315229 1153421200 /nfs/dbraw/zinc/42/12/00/1153421200.db2.gz WHLXHDWQDUUFCP-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001389343360 1155314908 /nfs/dbraw/zinc/31/49/08/1155314908.db2.gz JAYMRLVAVRYRFR-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001390607990 1155813366 /nfs/dbraw/zinc/81/33/66/1155813366.db2.gz HNMBJEHLJZNVGE-KGLIPLIRSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001392119071 1156871645 /nfs/dbraw/zinc/87/16/45/1156871645.db2.gz NHXDPMKEYWRVBN-CQSZACIVSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001392197065 1156888277 /nfs/dbraw/zinc/88/82/77/1156888277.db2.gz VDZGLTXMCWDRLP-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001392764923 1157396585 /nfs/dbraw/zinc/39/65/85/1157396585.db2.gz MZNYLMYZUDGPBT-CABCVRRESA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001375577429 1158818897 /nfs/dbraw/zinc/81/88/97/1158818897.db2.gz KIPVUKBZNDFHTO-RRFJBIMHSA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001400075500 1161647261 /nfs/dbraw/zinc/64/72/61/1161647261.db2.gz AEPXTBGOJSXLSN-HIFRSBDPSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCCCC1 ZINC001400927093 1161847648 /nfs/dbraw/zinc/84/76/48/1161847648.db2.gz VFSGMSOZWKCYKY-AWEZNQCLSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001404501483 1163685189 /nfs/dbraw/zinc/68/51/89/1163685189.db2.gz QUVYBWUMMPUPAY-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418441683 1167658090 /nfs/dbraw/zinc/65/80/90/1167658090.db2.gz KJWADTUJXPSDAX-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001423317468 1173231513 /nfs/dbraw/zinc/23/15/13/1173231513.db2.gz HGTQLFJNENCTJA-GOOCMWNKSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001439766103 1181226976 /nfs/dbraw/zinc/22/69/76/1181226976.db2.gz UHTXKUYGODVMMG-ZIAGYGMSSA-N 2 0 301.862 2.048 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001440406519 1181491486 /nfs/dbraw/zinc/49/14/86/1181491486.db2.gz UMFKYMHQXPHPKN-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001444732054 1183535288 /nfs/dbraw/zinc/53/52/88/1183535288.db2.gz WMPLEDIBOQVJCD-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122157645 782463178 /nfs/dbraw/zinc/46/31/78/782463178.db2.gz RDRFMPZUZXXGNH-FRRDWIJNSA-N 2 0 323.403 2.412 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210785 782520507 /nfs/dbraw/zinc/52/05/07/782520507.db2.gz FHEWIEPBJGAYJA-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106211048 782522864 /nfs/dbraw/zinc/52/28/64/782522864.db2.gz OPTMIVWDTNGSEW-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208603551 776597332 /nfs/dbraw/zinc/59/73/32/776597332.db2.gz DIEDNIOYGDSKRY-MRXNPFEDSA-N 2 0 321.465 2.049 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104288046 776899780 /nfs/dbraw/zinc/89/97/80/776899780.db2.gz RRSSPWUFJXUMIV-KURKYZTESA-N 2 0 321.509 2.225 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104362681 777133112 /nfs/dbraw/zinc/13/31/12/777133112.db2.gz DGOFQLNQULBKHY-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001100606672 777415875 /nfs/dbraw/zinc/41/58/75/777415875.db2.gz QTILPBVTKGRKJV-SOEBMCCKSA-N 2 0 307.482 2.167 20 30 DEEDRP C[NH+]1CCC(CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001207485226 778363353 /nfs/dbraw/zinc/36/33/53/778363353.db2.gz VIALBFVEVFIYKS-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569536 779357350 /nfs/dbraw/zinc/35/73/50/779357350.db2.gz ARTXXHQUKLQBSP-GVDBMIGSSA-N 2 0 307.482 2.404 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602322 779374010 /nfs/dbraw/zinc/37/40/10/779374010.db2.gz KJGMTLHDLCUQPW-FGTMMUONSA-N 2 0 319.493 2.242 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749368 779435795 /nfs/dbraw/zinc/43/57/95/779435795.db2.gz HTBCUGOMTISIMZ-BBWFWOEESA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985495797 779866504 /nfs/dbraw/zinc/86/65/04/779866504.db2.gz KNYPOJQVNRUCDV-IAGOWNOFSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985615111 779971793 /nfs/dbraw/zinc/97/17/93/779971793.db2.gz URTKRAMVHZTQEX-UHFFFAOYSA-N 2 0 313.873 2.004 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001088430896 780119606 /nfs/dbraw/zinc/11/96/06/780119606.db2.gz AUJPKQDYBJBVEM-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518094 780731542 /nfs/dbraw/zinc/73/15/42/780731542.db2.gz QMFHMVUTAVVLGU-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088810068 781021242 /nfs/dbraw/zinc/02/12/42/781021242.db2.gz CMFNNSLAHGPRME-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948388428 783448830 /nfs/dbraw/zinc/44/88/30/783448830.db2.gz GAMNICUKLUWQTH-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085432081 783680331 /nfs/dbraw/zinc/68/03/31/783680331.db2.gz HJVLMQQPTGWGHF-ZACQAIPSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688590 783967250 /nfs/dbraw/zinc/96/72/50/783967250.db2.gz NQCXXYIYUUVTER-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901513 784193933 /nfs/dbraw/zinc/19/39/33/784193933.db2.gz HDSQEJDXMGEQEY-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192304 784247412 /nfs/dbraw/zinc/24/74/12/784247412.db2.gz QJBBYXZZDRYZGS-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086102038 784410930 /nfs/dbraw/zinc/41/09/30/784410930.db2.gz GNZSADUMJSMAIX-QLFBSQMISA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086387195 784640353 /nfs/dbraw/zinc/64/03/53/784640353.db2.gz VBYMGKVYFTTXSV-ZOBUZTSGSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086400100 784672160 /nfs/dbraw/zinc/67/21/60/784672160.db2.gz VZFDREUMDXKIFS-QBPKDAKJSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086460451 784751447 /nfs/dbraw/zinc/75/14/47/784751447.db2.gz XHNKXGVLCMEFFW-CTYIDZIISA-N 2 0 305.422 2.015 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751404 784992023 /nfs/dbraw/zinc/99/20/23/784992023.db2.gz ZHGBGKNCLDFXOX-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+]C2CC[NH+](CC)CC2)CC1 ZINC001169240663 785109726 /nfs/dbraw/zinc/10/97/26/785109726.db2.gz BFKAXOXHOUJBCB-UHFFFAOYSA-N 2 0 309.454 2.095 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797425 785361232 /nfs/dbraw/zinc/36/12/32/785361232.db2.gz FTLHGQALVREOLU-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614542 785493487 /nfs/dbraw/zinc/49/34/87/785493487.db2.gz XOPBTVYAVHJKSU-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108794073 785540784 /nfs/dbraw/zinc/54/07/84/785540784.db2.gz NRGWHBJMQRRCDE-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014430821 786583361 /nfs/dbraw/zinc/58/33/61/786583361.db2.gz HHTJCLNQHXQKMR-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549751 788126835 /nfs/dbraw/zinc/12/68/35/788126835.db2.gz ZCJPWSCMCJPNBY-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132889241 788219603 /nfs/dbraw/zinc/21/96/03/788219603.db2.gz YPAUFWRQDFNDRQ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950639 788236814 /nfs/dbraw/zinc/23/68/14/788236814.db2.gz OYUBHOQHHNIEDT-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953226 788240988 /nfs/dbraw/zinc/24/09/88/788240988.db2.gz CWEUUFLYEYCPJR-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP 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 788252918 /nfs/dbraw/zinc/25/29/18/788252918.db2.gz PILBTYBPDSCVOM-OAGGEKHMSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133162385 788304066 /nfs/dbraw/zinc/30/40/66/788304066.db2.gz LWSJYAOHTQGZFM-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133197537 788313640 /nfs/dbraw/zinc/31/36/40/788313640.db2.gz ZLUFUOSWRIUJIH-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133253601 788342346 /nfs/dbraw/zinc/34/23/46/788342346.db2.gz KFVHDLBPPAQBDW-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170750737 788915863 /nfs/dbraw/zinc/91/58/63/788915863.db2.gz MOVNILMHMPVJAJ-IAGOWNOFSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608682 789004459 /nfs/dbraw/zinc/00/44/59/789004459.db2.gz YZJVZLQLCMQWBL-STQMWFEESA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858532 789116397 /nfs/dbraw/zinc/11/63/97/789116397.db2.gz VMFFYIKEUHBBKX-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001170818324 789366594 /nfs/dbraw/zinc/36/65/94/789366594.db2.gz CMNKQSKQJKQNEA-SFHVURJKSA-N 2 0 303.450 2.135 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001170869047 789562880 /nfs/dbraw/zinc/56/28/80/789562880.db2.gz ZWROGLYRLBNVLB-KRWDZBQOSA-N 2 0 303.450 2.351 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071794780 789922230 /nfs/dbraw/zinc/92/22/30/789922230.db2.gz FNIWJIAQYGFBFR-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071930572 789976660 /nfs/dbraw/zinc/97/66/60/789976660.db2.gz HCCVLSLNVYMMHO-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072811806 790255859 /nfs/dbraw/zinc/25/58/59/790255859.db2.gz HMSWNAPVLGFVHX-KRWDZBQOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072813562 790256346 /nfs/dbraw/zinc/25/63/46/790256346.db2.gz WNZLKEAQXBQPNZ-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001146610597 791322308 /nfs/dbraw/zinc/32/23/08/791322308.db2.gz KPWMEQRVXFTCSU-CVEARBPZSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147339629 791508983 /nfs/dbraw/zinc/50/89/83/791508983.db2.gz JPKJSURIYDQYEM-OAHLLOKOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292900 791731376 /nfs/dbraw/zinc/73/13/76/791731376.db2.gz ZKOOVXIHTYKSTF-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001148481000 791753145 /nfs/dbraw/zinc/75/31/45/791753145.db2.gz OEZZVBFPSVZYIO-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148605945 791774821 /nfs/dbraw/zinc/77/48/21/791774821.db2.gz YLNCMVPPMQRLGB-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754327 791814627 /nfs/dbraw/zinc/81/46/27/791814627.db2.gz OATDAXWEYLSKOS-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957453 791864237 /nfs/dbraw/zinc/86/42/37/791864237.db2.gz OHCYFOOMOKJHOW-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP 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 791911875 /nfs/dbraw/zinc/91/18/75/791911875.db2.gz IIJQQMBNOACPHO-BMFAXAFESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092830076 792144734 /nfs/dbraw/zinc/14/47/34/792144734.db2.gz VTOTZYJLTSHGPN-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548302 792238362 /nfs/dbraw/zinc/23/83/62/792238362.db2.gz SRLFQNSAKPCLQL-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100405567 792632383 /nfs/dbraw/zinc/63/23/83/792632383.db2.gz BTWNRGMEXXKOSO-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036709 792977676 /nfs/dbraw/zinc/97/76/76/792977676.db2.gz ZAVLNLDQWSCVPL-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683357 793171148 /nfs/dbraw/zinc/17/11/48/793171148.db2.gz HDCAJNJGLPFWAR-CQSZACIVSA-N 2 0 300.406 2.399 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171683356 793171190 /nfs/dbraw/zinc/17/11/90/793171190.db2.gz HDCAJNJGLPFWAR-AWEZNQCLSA-N 2 0 300.406 2.399 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171634698 793171622 /nfs/dbraw/zinc/17/16/22/793171622.db2.gz WXHDTUATPWPDFB-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101594471 793258403 /nfs/dbraw/zinc/25/84/03/793258403.db2.gz DKMFUUWQGQISNR-MRXNPFEDSA-N 2 0 321.509 2.369 20 30 DEEDRP COCCN1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496733 793437579 /nfs/dbraw/zinc/43/75/79/793437579.db2.gz PMVFWWWMFNMBBW-ROUUACIJSA-N 2 0 323.481 2.130 20 30 DEEDRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496734 793437593 /nfs/dbraw/zinc/43/75/93/793437593.db2.gz PMVFWWWMFNMBBW-ZWKOTPCHSA-N 2 0 323.481 2.130 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001094977561 793533470 /nfs/dbraw/zinc/53/34/70/793533470.db2.gz FOFLCFIWJJNBMR-JYJNAYRXSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001095009314 793573399 /nfs/dbraw/zinc/57/33/99/793573399.db2.gz CBGRHWFUZFMGEN-BZSNNMDCSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCOC1CCC([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001173326723 793678406 /nfs/dbraw/zinc/67/84/06/793678406.db2.gz OHZDTGWCIUANKL-UHFFFAOYSA-N 2 0 321.509 2.214 20 30 DEEDRP C=CCOC1CCC(NC(=[NH2+])SCCSC(N)=[NH2+])CC1 ZINC001173314728 793688416 /nfs/dbraw/zinc/68/84/16/793688416.db2.gz VBYSNYCHPJSTTJ-UHFFFAOYSA-N 2 0 316.496 2.384 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103007234 793879296 /nfs/dbraw/zinc/87/92/96/793879296.db2.gz GQEBFXXHBSRELR-BRSBDYLESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087616 793934474 /nfs/dbraw/zinc/93/44/74/793934474.db2.gz JWSQDBVVXUNFFI-KBAYOESNSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140347 793955176 /nfs/dbraw/zinc/95/51/76/793955176.db2.gz ZQKNSAIWVVBUPN-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550587 794141072 /nfs/dbraw/zinc/14/10/72/794141072.db2.gz XUSRFSQHTWEPRL-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001175218310 794160993 /nfs/dbraw/zinc/16/09/93/794160993.db2.gz QAQMKVANXCIGSO-IRXDYDNUSA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647186 794176350 /nfs/dbraw/zinc/17/63/50/794176350.db2.gz YLPVFRFHXLAFJN-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176193114 794370996 /nfs/dbraw/zinc/37/09/96/794370996.db2.gz SFZLHKBINKEANO-HNNXBMFYSA-N 2 0 316.449 2.049 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164319 794375207 /nfs/dbraw/zinc/37/52/07/794375207.db2.gz AJNNXBGJODDVCJ-CABCVRRESA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001111899889 794519391 /nfs/dbraw/zinc/51/93/91/794519391.db2.gz XFRINJJYGGFZEK-VKJFTORMSA-N 2 0 316.449 2.135 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001111899611 794519614 /nfs/dbraw/zinc/51/96/14/794519614.db2.gz QTKSUDICDOORQY-VKJFTORMSA-N 2 0 316.449 2.135 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111950854 794532796 /nfs/dbraw/zinc/53/27/96/794532796.db2.gz FCZUJDYDTPHHMA-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948334 794539427 /nfs/dbraw/zinc/53/94/27/794539427.db2.gz RWSBRPWAZASGMJ-UHFFFAOYSA-N 2 0 303.450 2.424 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CCC ZINC001177466904 794673107 /nfs/dbraw/zinc/67/31/07/794673107.db2.gz JTJVYZMPQSUPJB-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP 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 794728029 /nfs/dbraw/zinc/72/80/29/794728029.db2.gz ZHJLXNYMQNWMPQ-VSZNYVQBSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045041 794803769 /nfs/dbraw/zinc/80/37/69/794803769.db2.gz AYSUTLBDZJWJLA-CQSZACIVSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579410 794828189 /nfs/dbraw/zinc/82/81/89/794828189.db2.gz MQKMNWHGPOSKOM-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468631 794931781 /nfs/dbraw/zinc/93/17/81/794931781.db2.gz VMGCYNOFTZVHPV-QGZVFWFLSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178920680 795031646 /nfs/dbraw/zinc/03/16/46/795031646.db2.gz DROGGDDAZJPXHF-GOSISDBHSA-N 2 0 321.509 2.396 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580318 795145414 /nfs/dbraw/zinc/14/54/14/795145414.db2.gz DNCUDTKSAFIGFA-HNNXBMFYSA-N 2 0 315.889 2.489 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179964617 795221150 /nfs/dbraw/zinc/22/11/50/795221150.db2.gz BXGCQKFGHAVMBO-UHFFFAOYSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180065354 795234352 /nfs/dbraw/zinc/23/43/52/795234352.db2.gz OMEOIURUTQAELN-QZTJIDSGSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCCC1 ZINC001120074458 795402258 /nfs/dbraw/zinc/40/22/58/795402258.db2.gz HKAROCIYDAPERD-SFHVURJKSA-N 2 0 319.493 2.457 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120190542 795419347 /nfs/dbraw/zinc/41/93/47/795419347.db2.gz UYNXDVSBMGLALM-IAGOWNOFSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121193998 795601624 /nfs/dbraw/zinc/60/16/24/795601624.db2.gz MKLRTTZLMHHGMS-APUKJBRXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121238737 795607058 /nfs/dbraw/zinc/60/70/58/795607058.db2.gz UCRSBAMUQPDCDX-UHFFFAOYSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001182170436 795617495 /nfs/dbraw/zinc/61/74/95/795617495.db2.gz VLVMLBIGBDTRIF-SZVBFZGTSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121774100 795686045 /nfs/dbraw/zinc/68/60/45/795686045.db2.gz YKXVVMUKAQYEHY-FIXVGMIGSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122242638 795739482 /nfs/dbraw/zinc/73/94/82/795739482.db2.gz MRJXFQYGMOJRHX-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184575106 796086350 /nfs/dbraw/zinc/08/63/50/796086350.db2.gz BJSMCHMJPMJVEO-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184722631 796115693 /nfs/dbraw/zinc/11/56/93/796115693.db2.gz CWQOJYYVMXWJNU-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185071658 796183492 /nfs/dbraw/zinc/18/34/92/796183492.db2.gz ABQRQXGHTKMBDH-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001185361470 796238995 /nfs/dbraw/zinc/23/89/95/796238995.db2.gz YYAZKHDUAWQDIG-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034250 796481789 /nfs/dbraw/zinc/48/17/89/796481789.db2.gz BHSFELSPUKOUDG-SJORKVTESA-N 2 0 301.434 2.056 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028398 796515244 /nfs/dbraw/zinc/51/52/44/796515244.db2.gz NJOCXMLELXFAPA-CABCVRRESA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001188139092 796631107 /nfs/dbraw/zinc/63/11/07/796631107.db2.gz HYKYZFVYBUIACB-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205416106 796747894 /nfs/dbraw/zinc/74/78/94/796747894.db2.gz YXMBFWUPXQIQFU-INIZCTEOSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111270 796765070 /nfs/dbraw/zinc/76/50/70/796765070.db2.gz XWKRXMWCKJTESK-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189530049 796846721 /nfs/dbraw/zinc/84/67/21/796846721.db2.gz DHJWWWPCNFKEPD-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190653543 797050282 /nfs/dbraw/zinc/05/02/82/797050282.db2.gz DIESDHJGBCVYEC-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163258 797148840 /nfs/dbraw/zinc/14/88/40/797148840.db2.gz UYGNJHOTWLLKHZ-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191552137 797224736 /nfs/dbraw/zinc/22/47/36/797224736.db2.gz SWUCMCKOUIXTOW-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191923259 797285857 /nfs/dbraw/zinc/28/58/57/797285857.db2.gz RUXLIRQIBHGJLT-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192670999 797429263 /nfs/dbraw/zinc/42/92/63/797429263.db2.gz DKKGWACKFKGWBQ-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193424893 797564597 /nfs/dbraw/zinc/56/45/97/797564597.db2.gz QMKNWLUAONKJQJ-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011594 797662589 /nfs/dbraw/zinc/66/25/89/797662589.db2.gz VGQFSGCZTFULQP-IAGOWNOFSA-N 2 0 309.498 2.441 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001807 797667342 /nfs/dbraw/zinc/66/73/42/797667342.db2.gz KVEICPVOYAHQOG-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001156305705 797970949 /nfs/dbraw/zinc/97/09/49/797970949.db2.gz FORCRVRFMFIZHC-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242941 798031422 /nfs/dbraw/zinc/03/14/22/798031422.db2.gz QPNBKDLYENLAQY-MRXNPFEDSA-N 2 0 304.438 2.191 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353802 798678782 /nfs/dbraw/zinc/67/87/82/798678782.db2.gz YXJHNHZFPIUFIU-GOSISDBHSA-N 2 0 319.493 2.289 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001201378998 798748394 /nfs/dbraw/zinc/74/83/94/798748394.db2.gz UCSADKDZGIGRHV-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008945 798778686 /nfs/dbraw/zinc/77/86/86/798778686.db2.gz XVWZWSCRPBPUKL-WMZOPIPTSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161084120 798793545 /nfs/dbraw/zinc/79/35/45/798793545.db2.gz HARPUROJPRAZOO-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201818308 798800360 /nfs/dbraw/zinc/80/03/60/798800360.db2.gz LRQLPFXXKQDBOV-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164575803 799625319 /nfs/dbraw/zinc/62/53/19/799625319.db2.gz ICSKSKHUMXPCMU-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP 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 799794572 /nfs/dbraw/zinc/79/45/72/799794572.db2.gz KDGGKPYPFPOIJP-OAGGEKHMSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976506 799805730 /nfs/dbraw/zinc/80/57/30/799805730.db2.gz OYUVINNGQVOQIH-ZACQAIPSSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165967569 799806426 /nfs/dbraw/zinc/80/64/26/799806426.db2.gz ANFDFALQTSCXRW-UHFFFAOYSA-N 2 0 319.493 2.457 20 30 DEEDRP C#CC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001166390317 799865698 /nfs/dbraw/zinc/86/56/98/799865698.db2.gz JUMGJWSCPPVWNN-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C[NH2+]Cc1cccc(Nc2ncc3c(c2C#N)CCC[NH2+]C3)c1 ZINC001167032532 800011534 /nfs/dbraw/zinc/01/15/34/800011534.db2.gz FDLAHBRBJYZWCZ-UHFFFAOYSA-N 2 0 307.401 2.452 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633573 800095924 /nfs/dbraw/zinc/09/59/24/800095924.db2.gz ZFHZBQIWRJILKA-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001203853278 800133511 /nfs/dbraw/zinc/13/35/11/800133511.db2.gz PPBFIJJILQKMBC-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCOc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC001204300141 800202265 /nfs/dbraw/zinc/20/22/65/800202265.db2.gz LBIZHCABJDYWPR-UHFFFAOYSA-N 2 0 305.466 2.177 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206175770 800484916 /nfs/dbraw/zinc/48/49/16/800484916.db2.gz BFCCEOPWMOOXML-OAHLLOKOSA-N 2 0 315.889 2.153 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481504 800541133 /nfs/dbraw/zinc/54/11/33/800541133.db2.gz IRDCWNQPWFGWAL-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001206950451 800639485 /nfs/dbraw/zinc/63/94/85/800639485.db2.gz RQOOVIBSZOBGNJ-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952279 800640559 /nfs/dbraw/zinc/64/05/59/800640559.db2.gz HTRLKMAIYAULST-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+](CC(C)(C)C[NH+](C)C)CC2 ZINC001207279677 800721008 /nfs/dbraw/zinc/72/10/08/800721008.db2.gz HRSANBZXRCAKBC-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208050470 800901922 /nfs/dbraw/zinc/90/19/22/800901922.db2.gz YWGOXBYCWUAHKN-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328336 800955916 /nfs/dbraw/zinc/95/59/16/800955916.db2.gz CQVMMISKIYLYKT-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331600 800956621 /nfs/dbraw/zinc/95/66/21/800956621.db2.gz UWUOBZQSNDYRSR-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208409669 800977608 /nfs/dbraw/zinc/97/76/08/800977608.db2.gz MRHBCGIKXMFXRO-LTIDMASMSA-N 2 0 307.482 2.119 20 30 DEEDRP COCC[N@H+](CCc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC001208927385 801094762 /nfs/dbraw/zinc/09/47/62/801094762.db2.gz ZITFEKMTWSRXCH-UHFFFAOYSA-N 2 0 301.434 2.143 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209950756 801312369 /nfs/dbraw/zinc/31/23/69/801312369.db2.gz HPRPDGZVVWRGES-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230172500 801367665 /nfs/dbraw/zinc/36/76/65/801367665.db2.gz ZFOWAJJSBVCAKP-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001230284725 801381473 /nfs/dbraw/zinc/38/14/73/801381473.db2.gz RZXUIJMPMZVPKE-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001230284724 801381904 /nfs/dbraw/zinc/38/19/04/801381904.db2.gz RZXUIJMPMZVPKE-KURKYZTESA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230627056 801440611 /nfs/dbraw/zinc/44/06/11/801440611.db2.gz AISWUHRNCJDARJ-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301435 801545003 /nfs/dbraw/zinc/54/50/03/801545003.db2.gz WWEMHKQELPQJMY-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224345 801823635 /nfs/dbraw/zinc/82/36/35/801823635.db2.gz OKIFMAZUFOLVAX-NXHRZFHOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001216413422 801972582 /nfs/dbraw/zinc/97/25/82/801972582.db2.gz IOSRFVNDGADJDU-GDBMZVCRSA-N 2 0 316.449 2.164 20 30 DEEDRP CCCCC[C@H]([NH2+]C)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218553763 802204381 /nfs/dbraw/zinc/20/43/81/802204381.db2.gz RJNCPRSFPVNHJN-ZDUSSCGKSA-N 2 0 320.462 2.372 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715165 802605342 /nfs/dbraw/zinc/60/53/42/802605342.db2.gz DZUBNVZHJPWSSZ-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876885 802623099 /nfs/dbraw/zinc/62/30/99/802623099.db2.gz ZSHLTRRUPCLTDH-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001222929812 802750232 /nfs/dbraw/zinc/75/02/32/802750232.db2.gz OHCAWKDICPILQT-SQNIBIBYSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884661 802913964 /nfs/dbraw/zinc/91/39/64/802913964.db2.gz XUJMESGWNGJKML-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225464817 802970327 /nfs/dbraw/zinc/97/03/27/802970327.db2.gz OZBMNJVPPDOXSY-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226296578 803084769 /nfs/dbraw/zinc/08/47/69/803084769.db2.gz LCKDFZBZLNCYBV-KZNAEPCWSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001227276301 803225793 /nfs/dbraw/zinc/22/57/93/803225793.db2.gz UHBFXGNMOCQCBT-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001330668321 1149246297 /nfs/dbraw/zinc/24/62/97/1149246297.db2.gz UDJLVVOXPFUKPU-VQHPVUNQSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001331297435 1149414039 /nfs/dbraw/zinc/41/40/39/1149414039.db2.gz RLALZYQQSDDUBI-QGZVFWFLSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328782208 1148834219 /nfs/dbraw/zinc/83/42/19/1148834219.db2.gz XTDSRQFTHODWSO-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001499987093 1058417926 /nfs/dbraw/zinc/41/79/26/1058417926.db2.gz YQKMZIOQTNPRMK-OAHLLOKOSA-N 2 0 313.461 2.213 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001500042096 1058448419 /nfs/dbraw/zinc/44/84/19/1058448419.db2.gz KXOGSRDLUZCBGS-GOSISDBHSA-N 2 0 321.509 2.299 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001501166206 1059344797 /nfs/dbraw/zinc/34/47/97/1059344797.db2.gz KJVGFMQPTHFTCN-MUJYYYPQSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001501427629 1059504244 /nfs/dbraw/zinc/50/42/44/1059504244.db2.gz VDMSCMSFYHPCHJ-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCC)CC1 ZINC001502496548 1060152847 /nfs/dbraw/zinc/15/28/47/1060152847.db2.gz YITPYSPQPYKHOO-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001502953283 1060408283 /nfs/dbraw/zinc/40/82/83/1060408283.db2.gz VLYDHACQSGWOIW-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001503677691 1060456480 /nfs/dbraw/zinc/45/64/80/1060456480.db2.gz JBMGRDUFJZJVQM-SFHVURJKSA-N 2 0 315.461 2.230 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001505473849 1060642676 /nfs/dbraw/zinc/64/26/76/1060642676.db2.gz ZCTIIOKUJIDGSX-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001505513920 1060670880 /nfs/dbraw/zinc/67/08/80/1060670880.db2.gz URWMABOXCZKIAJ-LEOMRAHMSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001505619017 1060785555 /nfs/dbraw/zinc/78/55/55/1060785555.db2.gz SUFPZOJUWXLBBU-STQMWFEESA-N 2 0 309.479 2.482 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001479416532 1061446760 /nfs/dbraw/zinc/44/67/60/1061446760.db2.gz JURSFGBXZJGSTJ-QAQDUYKDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613553 1061518218 /nfs/dbraw/zinc/51/82/18/1061518218.db2.gz NEZDYSPEIZNUAH-OIISXLGYSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001479692458 1061605554 /nfs/dbraw/zinc/60/55/54/1061605554.db2.gz RILVSTLKRIKOSS-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001479778305 1061740241 /nfs/dbraw/zinc/74/02/41/1061740241.db2.gz SAXNIWMMRWPIJY-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329091173 1148864746 /nfs/dbraw/zinc/86/47/46/1148864746.db2.gz RXWPSMZMNHFDTO-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001480049356 1062239669 /nfs/dbraw/zinc/23/96/69/1062239669.db2.gz BQCAZPPOKGHBNC-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480089058 1062305965 /nfs/dbraw/zinc/30/59/65/1062305965.db2.gz HLNBNOONMYYWIT-GOSISDBHSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480161537 1062408407 /nfs/dbraw/zinc/40/84/07/1062408407.db2.gz GDBXZRQWECQBAT-BRWVUGGUSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001506885959 1062471956 /nfs/dbraw/zinc/47/19/56/1062471956.db2.gz XVQCAGATZLQHTD-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480267874 1062569801 /nfs/dbraw/zinc/56/98/01/1062569801.db2.gz STARFOSSLCVIBV-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001507145124 1062913024 /nfs/dbraw/zinc/91/30/24/1062913024.db2.gz WZDZTIWZJAYYKC-FUHWJXTLSA-N 2 0 315.461 2.139 20 30 DEEDRP CC#CC[N@H+](C)CCN(C(=O)CC[NH+]1CCCCC1)C(C)C ZINC001507861590 1063441426 /nfs/dbraw/zinc/44/14/26/1063441426.db2.gz CXYIYNVHEJDZCG-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001508147137 1063579015 /nfs/dbraw/zinc/57/90/15/1063579015.db2.gz UGDYHQWGYAXMFF-UHFFFAOYSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001493850110 1063991223 /nfs/dbraw/zinc/99/12/23/1063991223.db2.gz OPXBFUULXRQLFK-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001567662954 1064328414 /nfs/dbraw/zinc/32/84/14/1064328414.db2.gz DQCDFADJNXIFSX-QGZVFWFLSA-N 2 0 313.445 2.105 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001567662950 1064328791 /nfs/dbraw/zinc/32/87/91/1064328791.db2.gz DQCDFADJNXIFSX-KRWDZBQOSA-N 2 0 313.445 2.105 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001567701700 1064358124 /nfs/dbraw/zinc/35/81/24/1064358124.db2.gz NDZAKJFWYNXUNX-AWEZNQCLSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567774624 1064416003 /nfs/dbraw/zinc/41/60/03/1064416003.db2.gz GCYAENVLGRVWOB-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001568106238 1064649143 /nfs/dbraw/zinc/64/91/43/1064649143.db2.gz PEEOSHNIDFCBLO-BRSBDYLESA-N 2 0 317.477 2.044 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001568368253 1064811865 /nfs/dbraw/zinc/81/18/65/1064811865.db2.gz FDHOSGANKWJTCK-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC(=C)C)C(C)C)CC1 ZINC001568470728 1064892194 /nfs/dbraw/zinc/89/21/94/1064892194.db2.gz UIFHBYFUWQMYQE-SFHVURJKSA-N 2 0 319.493 2.028 20 30 DEEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568669855 1065037019 /nfs/dbraw/zinc/03/70/19/1065037019.db2.gz XMWDZISCJMAMNT-SJLPKXTDSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)c1ccn2c(C)cnc2c1 ZINC001568742548 1065094240 /nfs/dbraw/zinc/09/42/40/1065094240.db2.gz UYWGERIIHXBSAH-UHFFFAOYSA-N 2 0 320.824 2.447 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCC1 ZINC001495949004 1065190166 /nfs/dbraw/zinc/19/01/66/1065190166.db2.gz MTYCIODJTHZLPH-INIZCTEOSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001496338110 1065414391 /nfs/dbraw/zinc/41/43/91/1065414391.db2.gz AWJLRHVWXSQTOH-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC001623623413 1078206893 /nfs/dbraw/zinc/20/68/93/1078206893.db2.gz OXDPXXVBCIYLJV-SFHVURJKSA-N 2 0 317.477 2.174 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001569813455 1065734681 /nfs/dbraw/zinc/73/46/81/1065734681.db2.gz HVGMZGPNBPTHOW-HZPDHXFCSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001496862570 1065761663 /nfs/dbraw/zinc/76/16/63/1065761663.db2.gz KGEUWMFWPGSZHB-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001569866769 1065777207 /nfs/dbraw/zinc/77/72/07/1065777207.db2.gz FRFIWAFQZGDKCZ-BZSNNMDCSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001570255045 1065993355 /nfs/dbraw/zinc/99/33/55/1065993355.db2.gz NRBCTJGIDPCZTN-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001570373138 1066038580 /nfs/dbraw/zinc/03/85/80/1066038580.db2.gz KWTSBPLPMDDKCR-INIZCTEOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300010 1148517958 /nfs/dbraw/zinc/51/79/58/1148517958.db2.gz RZSLQBXHDWPWDW-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001629373605 1078316604 /nfs/dbraw/zinc/31/66/04/1078316604.db2.gz RQUPNAYZWGQBEI-UHFFFAOYSA-N 2 0 321.509 2.463 20 30 DEEDRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC001576809231 1066694523 /nfs/dbraw/zinc/69/45/23/1066694523.db2.gz QOGGAFSNTQJCFT-RHSMWYFYSA-N 2 0 323.444 2.375 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001499130752 1067110745 /nfs/dbraw/zinc/11/07/45/1067110745.db2.gz BXYOWLBVCFWTFC-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]cn2)[C@H](C)C1 ZINC001499834827 1067353989 /nfs/dbraw/zinc/35/39/89/1067353989.db2.gz KFDXUAXYTNYZHU-HUUCEWRRSA-N 2 0 304.438 2.278 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001499843836 1067357269 /nfs/dbraw/zinc/35/72/69/1067357269.db2.gz JUKCWDDQLFLTMQ-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001483406010 1078514086 /nfs/dbraw/zinc/51/40/86/1078514086.db2.gz PAGODQKUHZTIMX-WMZOPIPTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001483565000 1078600676 /nfs/dbraw/zinc/60/06/76/1078600676.db2.gz ANHKYHFSJJEADQ-QZTJIDSGSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001570691555 1068072084 /nfs/dbraw/zinc/07/20/84/1068072084.db2.gz WPUILQIGZRDTBH-KRWDZBQOSA-N 2 0 321.509 2.204 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001570909987 1068157517 /nfs/dbraw/zinc/15/75/17/1068157517.db2.gz VBCYKUGGVXAPLX-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267200502 1078660604 /nfs/dbraw/zinc/66/06/04/1078660604.db2.gz CSAOXTRZSYYHCD-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001571503714 1068363993 /nfs/dbraw/zinc/36/39/93/1068363993.db2.gz UXFUKRSIHRYVHQ-QAPCUYQASA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001571503713 1068364878 /nfs/dbraw/zinc/36/48/78/1068364878.db2.gz UXFUKRSIHRYVHQ-MAUKXSAKSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001571513488 1068372228 /nfs/dbraw/zinc/37/22/28/1068372228.db2.gz SNOKRALEGRDRBR-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001571518469 1068381420 /nfs/dbraw/zinc/38/14/20/1068381420.db2.gz FVUZYVQCDNMMSD-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001571550364 1068415198 /nfs/dbraw/zinc/41/51/98/1068415198.db2.gz ODCAXXHITMETKL-MSOLQXFVSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001329265694 1148879188 /nfs/dbraw/zinc/87/91/88/1148879188.db2.gz HCVQPILNAKJFCH-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001272440338 1078877669 /nfs/dbraw/zinc/87/76/69/1078877669.db2.gz LDEJCSCCUWBAIC-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267482394 1078905724 /nfs/dbraw/zinc/90/57/24/1078905724.db2.gz SEZPTENJOLWHSC-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001483977159 1079222472 /nfs/dbraw/zinc/22/24/72/1079222472.db2.gz UXPVGZCDHARKES-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001484000888 1079237149 /nfs/dbraw/zinc/23/71/49/1079237149.db2.gz KJZRYOGZPRQDJL-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001484163437 1079337657 /nfs/dbraw/zinc/33/76/57/1079337657.db2.gz JZZHEAVKZOULMA-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001565917834 1075205803 /nfs/dbraw/zinc/20/58/03/1075205803.db2.gz CDGGAIZLDWSJLP-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001566055489 1075222122 /nfs/dbraw/zinc/22/21/22/1075222122.db2.gz XIZMQUMGSNIHAH-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001567109445 1075433605 /nfs/dbraw/zinc/43/36/05/1075433605.db2.gz MRDXTBRKONWPFN-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484343167 1079553067 /nfs/dbraw/zinc/55/30/67/1079553067.db2.gz NAPPFRFIUWOFQP-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484412723 1079598841 /nfs/dbraw/zinc/59/88/41/1079598841.db2.gz UGNOPIXBKBZGDC-CALCHBBNSA-N 2 0 309.498 2.299 20 30 DEEDRP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267971246 1079651446 /nfs/dbraw/zinc/65/14/46/1079651446.db2.gz RIUYWDYBOQVAQF-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268001151 1079683605 /nfs/dbraw/zinc/68/36/05/1079683605.db2.gz WVHIJTHRCXYTGO-WMZOPIPTSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001484725506 1079749264 /nfs/dbraw/zinc/74/92/64/1079749264.db2.gz BIEIEQCCVSAJQC-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CC[NH2+]C1(C)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001484917594 1079853834 /nfs/dbraw/zinc/85/38/34/1079853834.db2.gz YJGCXWJTDMGEDO-UHFFFAOYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001484927722 1079859236 /nfs/dbraw/zinc/85/92/36/1079859236.db2.gz ZFRBEAYTVKLGPW-UHFFFAOYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481449284 1079869213 /nfs/dbraw/zinc/86/92/13/1079869213.db2.gz BQIJRPWUNKQOQW-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCC1 ZINC001268042042 1079911749 /nfs/dbraw/zinc/91/17/49/1079911749.db2.gz JZNPUSVYBFPJFO-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485073015 1079957555 /nfs/dbraw/zinc/95/75/55/1079957555.db2.gz NEOBTPBDTKHFNW-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485144945 1080012040 /nfs/dbraw/zinc/01/20/40/1080012040.db2.gz AQUHXABCUQWSLO-KBPBESRZSA-N 2 0 315.889 2.486 20 30 DEEDRP 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 1080039742 /nfs/dbraw/zinc/03/97/42/1080039742.db2.gz FVNSMNBMIZZDFQ-YOEHRIQHSA-N 2 0 313.461 2.212 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCCC)CC1 ZINC001656108947 1080048318 /nfs/dbraw/zinc/04/83/18/1080048318.db2.gz ARTYAJVEBZJYQN-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001268138020 1080105399 /nfs/dbraw/zinc/10/53/99/1080105399.db2.gz OSHZCOLPMIBYPA-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001268137942 1080105687 /nfs/dbraw/zinc/10/56/87/1080105687.db2.gz NRRJBBNRYOMBAB-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001657044327 1080149815 /nfs/dbraw/zinc/14/98/15/1080149815.db2.gz SCDOGBXESSEHSS-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000982011649 1080182701 /nfs/dbraw/zinc/18/27/01/1080182701.db2.gz HGLNJYMOFNBGQB-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001268214802 1080200009 /nfs/dbraw/zinc/20/00/09/1080200009.db2.gz WVRNAYWVTPNIIH-IRXDYDNUSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485585255 1080315429 /nfs/dbraw/zinc/31/54/29/1080315429.db2.gz KSBJQQHSYUQUPV-HOTGVXAUSA-N 2 0 307.482 2.119 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481708164 1080335729 /nfs/dbraw/zinc/33/57/29/1080335729.db2.gz IXNWWOIGAFKSEY-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001485628811 1080340865 /nfs/dbraw/zinc/34/08/65/1080340865.db2.gz MYECVVULCCJCGW-FJIDUMEYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001485658361 1080350094 /nfs/dbraw/zinc/35/00/94/1080350094.db2.gz SFDJAPGYLUMQDQ-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001485707252 1080373002 /nfs/dbraw/zinc/37/30/02/1080373002.db2.gz VSNKBDMHGRKACH-SHTZXODSSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(C)CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001660719301 1080385300 /nfs/dbraw/zinc/38/53/00/1080385300.db2.gz LTWGRSTZHFWONY-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001661236038 1080461540 /nfs/dbraw/zinc/46/15/40/1080461540.db2.gz SCLYJKFRMZSWSP-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983994 1080492071 /nfs/dbraw/zinc/49/20/71/1080492071.db2.gz SJZGPJGAGAJVND-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001661740383 1080517045 /nfs/dbraw/zinc/51/70/45/1080517045.db2.gz ZGILHHAUDJMUOB-INIZCTEOSA-N 2 0 309.498 2.369 20 30 DEEDRP 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 1080524729 /nfs/dbraw/zinc/52/47/29/1080524729.db2.gz WLSLEGYJGVLOKE-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001481960614 1080651040 /nfs/dbraw/zinc/65/10/40/1080651040.db2.gz GPGALCHBZPIIIQ-QFBILLFUSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662863823 1080669203 /nfs/dbraw/zinc/66/92/03/1080669203.db2.gz ZPNCXFDUEWYPDD-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001662862248 1080669364 /nfs/dbraw/zinc/66/93/64/1080669364.db2.gz KGMODMHRKVFGPI-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001481992112 1080675456 /nfs/dbraw/zinc/67/54/56/1080675456.db2.gz UYFWQYDEWVIGNB-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001482022926 1080693475 /nfs/dbraw/zinc/69/34/75/1080693475.db2.gz SSIVCGDJLWZLLF-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482068580 1080776069 /nfs/dbraw/zinc/77/60/69/1080776069.db2.gz SPTURVBTFDWKMY-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001268742413 1080963521 /nfs/dbraw/zinc/96/35/21/1080963521.db2.gz HOUFMRNCOGONQJ-FUHWJXTLSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001268746504 1080966633 /nfs/dbraw/zinc/96/66/33/1080966633.db2.gz KOYYNKNTKQVDLY-MRXNPFEDSA-N 2 0 317.477 2.417 20 30 DEEDRP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001665078300 1080989314 /nfs/dbraw/zinc/98/93/14/1080989314.db2.gz WABFHXKUWZYDEP-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268978915 1081072667 /nfs/dbraw/zinc/07/26/67/1081072667.db2.gz OVDMXGVJWMGBMN-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001268979195 1081073274 /nfs/dbraw/zinc/07/32/74/1081073274.db2.gz ZKGMXBSPTKOCDB-ULQDDVLXSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001665952288 1081101380 /nfs/dbraw/zinc/10/13/80/1081101380.db2.gz VIDBKCFURASYFF-JKSUJKDBSA-N 2 0 305.466 2.208 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001666214769 1081134317 /nfs/dbraw/zinc/13/43/17/1081134317.db2.gz PKNZHJXDYBHLCU-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001666368349 1081149176 /nfs/dbraw/zinc/14/91/76/1081149176.db2.gz VLKPOJHNYJBLNP-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269356560 1081225811 /nfs/dbraw/zinc/22/58/11/1081225811.db2.gz RMBNTEDCUWDEEA-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCC(C)C)CC2)CC1 ZINC001269544853 1081284666 /nfs/dbraw/zinc/28/46/66/1081284666.db2.gz VAMQBUABDQOWHM-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001482238317 1081336602 /nfs/dbraw/zinc/33/66/02/1081336602.db2.gz NWTBQVDNUQFSRH-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269729834 1081348438 /nfs/dbraw/zinc/34/84/38/1081348438.db2.gz HTYKNOFWHUUCCF-WMZOPIPTSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001269744370 1081353366 /nfs/dbraw/zinc/35/33/66/1081353366.db2.gz CHMOYOFPTAHPPQ-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001269778720 1081364632 /nfs/dbraw/zinc/36/46/32/1081364632.db2.gz VLZLYNJKOHEOSP-HZPDHXFCSA-N 2 0 318.465 2.383 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H](C)C1 ZINC001269971357 1081413144 /nfs/dbraw/zinc/41/31/44/1081413144.db2.gz GNQOZNMPLDVGEL-ZWKOTPCHSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001270338804 1081504966 /nfs/dbraw/zinc/50/49/66/1081504966.db2.gz REELMMYSGZIUNU-FPLPWBNLSA-N 2 0 319.493 2.221 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482298732 1081557094 /nfs/dbraw/zinc/55/70/94/1081557094.db2.gz IMRLLXIGPMIUDS-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001672814991 1081629385 /nfs/dbraw/zinc/62/93/85/1081629385.db2.gz CLAVMUCAIOUAGJ-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001673624970 1081786072 /nfs/dbraw/zinc/78/60/72/1081786072.db2.gz KOGXURQPGBPRGP-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001674348694 1081863664 /nfs/dbraw/zinc/86/36/64/1081863664.db2.gz ZSMSNJBBWCDZAR-UHFFFAOYSA-N 2 0 321.509 2.158 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674463900 1081874956 /nfs/dbraw/zinc/87/49/56/1081874956.db2.gz VNSZKPUKYIGJCT-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674462990 1081875108 /nfs/dbraw/zinc/87/51/08/1081875108.db2.gz CTRMDVYNCGJSPN-KRWDZBQOSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001674505504 1081883914 /nfs/dbraw/zinc/88/39/14/1081883914.db2.gz OLEAHAATSHSXIC-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001482478537 1081971576 /nfs/dbraw/zinc/97/15/76/1081971576.db2.gz NOFCVZDSMQKCCU-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482480600 1081979958 /nfs/dbraw/zinc/97/99/58/1081979958.db2.gz GZSQUYZJURCBJH-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001266434280 1082036242 /nfs/dbraw/zinc/03/62/42/1082036242.db2.gz VGSWDAJZJDMWCL-KRWDZBQOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001266466395 1082055481 /nfs/dbraw/zinc/05/54/81/1082055481.db2.gz NYMUGPZSJHDMCH-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001266486214 1082069630 /nfs/dbraw/zinc/06/96/30/1082069630.db2.gz MNYZOQRCZSQDGY-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001271656076 1082101739 /nfs/dbraw/zinc/10/17/39/1082101739.db2.gz PJPBRTAVHULOAF-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001670555688 1082179567 /nfs/dbraw/zinc/17/95/67/1082179567.db2.gz CEFPHIDQVVCVHH-IRXDYDNUSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001266599805 1082185818 /nfs/dbraw/zinc/18/58/18/1082185818.db2.gz XOTJLNLTAGPZGJ-ULQDDVLXSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001482539520 1082187349 /nfs/dbraw/zinc/18/73/49/1082187349.db2.gz ZUUHOYNLPYZKFJ-INIZCTEOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564604 1082201067 /nfs/dbraw/zinc/20/10/67/1082201067.db2.gz SXMIJNXNUBGUAR-RDJZCZTQSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266749904 1082318569 /nfs/dbraw/zinc/31/85/69/1082318569.db2.gz OGRYLSXILWSQHE-AEFFLSMTSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266852958 1082396229 /nfs/dbraw/zinc/39/62/29/1082396229.db2.gz BXZHPVSOLLEPSR-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001266916277 1082451283 /nfs/dbraw/zinc/45/12/83/1082451283.db2.gz PFUYHQPVZKHDGB-UHFFFAOYSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482680483 1082471304 /nfs/dbraw/zinc/47/13/04/1082471304.db2.gz AGZUSRADZBCLNS-MAUKXSAKSA-N 2 0 324.428 2.154 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482680968 1082472707 /nfs/dbraw/zinc/47/27/07/1082472707.db2.gz GGDCHZMBMXGARP-PBHICJAKSA-N 2 0 312.417 2.317 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438947 1083396560 /nfs/dbraw/zinc/39/65/60/1083396560.db2.gz NPLIKROISLASOI-IEBWSBKVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001276423121 1083424105 /nfs/dbraw/zinc/42/41/05/1083424105.db2.gz UJRNFQCTPAKJRB-HUUCEWRRSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001276685991 1083547519 /nfs/dbraw/zinc/54/75/19/1083547519.db2.gz ACNDPFNAGJKULD-GOSISDBHSA-N 2 0 319.493 2.169 20 30 DEEDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cnn3ccc(C#N)cc13)CC2 ZINC001277415833 1083957566 /nfs/dbraw/zinc/95/75/66/1083957566.db2.gz AWJKZCDHMQDULI-UHFFFAOYSA-N 2 0 309.417 2.124 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001491059863 1084037119 /nfs/dbraw/zinc/03/71/19/1084037119.db2.gz CAOLPDPNJYHQKS-YHUYYLMFSA-N 2 0 304.438 2.426 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001491068818 1084047131 /nfs/dbraw/zinc/04/71/31/1084047131.db2.gz BWQFBQVEEPOMQQ-MWDXBVQZSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001491267903 1084194028 /nfs/dbraw/zinc/19/40/28/1084194028.db2.gz RKEDJOJFKBFUFT-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001491273339 1084201905 /nfs/dbraw/zinc/20/19/05/1084201905.db2.gz GXCSWNLWLWSKGM-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001491302833 1084222939 /nfs/dbraw/zinc/22/29/39/1084222939.db2.gz ZDWDOZKUOQVPHL-ZBFHGGJFSA-N 2 0 318.465 2.444 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888408 1084427790 /nfs/dbraw/zinc/42/77/90/1084427790.db2.gz XZOQVANBIDMWPS-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]CCCCC#N)(C1)CCC2 ZINC001277947994 1084442063 /nfs/dbraw/zinc/44/20/63/1084442063.db2.gz DGXDRTXCXFDPBJ-SJORKVTESA-N 2 0 309.454 2.325 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235511800 1084451461 /nfs/dbraw/zinc/45/14/61/1084451461.db2.gz HABIOQMGSMSZOJ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001078711216 1084822245 /nfs/dbraw/zinc/82/22/45/1084822245.db2.gz QTXKLNWCHZGZKA-LSDHHAIUSA-N 2 0 317.433 2.158 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000963327177 1086409577 /nfs/dbraw/zinc/40/95/77/1086409577.db2.gz SPQZGQFHPUJRBO-ABHNRTSZSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000963825491 1086568940 /nfs/dbraw/zinc/56/89/40/1086568940.db2.gz PHNSCUGKJAMFAQ-AOCRQIFASA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001273144803 1086812880 /nfs/dbraw/zinc/81/28/80/1086812880.db2.gz SQNFUSDRULYZOJ-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP 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 1088806394 /nfs/dbraw/zinc/80/63/94/1088806394.db2.gz WKRAZHSWVFCYIH-LTIDMASMSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001114832000 1088919403 /nfs/dbraw/zinc/91/94/03/1088919403.db2.gz JOLQFOAQZPRITJ-IMBTUZDBSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572021 1090331966 /nfs/dbraw/zinc/33/19/66/1090331966.db2.gz QRDLSQLNULETFB-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP 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 1090550051 /nfs/dbraw/zinc/55/00/51/1090550051.db2.gz GOMXVLLZNAIQOM-SQNIBIBYSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CCN1CC[C@]2(CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274267312 1091158666 /nfs/dbraw/zinc/15/86/66/1091158666.db2.gz DBUPGWQEERWHAE-SFHVURJKSA-N 2 0 310.401 2.173 20 30 DEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001274950708 1091487189 /nfs/dbraw/zinc/48/71/89/1091487189.db2.gz UFYNLVSPOITEFK-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001280744644 1092107280 /nfs/dbraw/zinc/10/72/80/1092107280.db2.gz NOBDOKXMIWRWED-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)CCC=C)CC1 ZINC001276011054 1092505605 /nfs/dbraw/zinc/50/56/05/1092505605.db2.gz KZYHYBVHJFXQDG-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001489238514 1093000153 /nfs/dbraw/zinc/00/01/53/1093000153.db2.gz MONAKNPWRMVXLL-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001489282599 1093015994 /nfs/dbraw/zinc/01/59/94/1093015994.db2.gz LNOOWTBJYNWAPU-IXDOHACOSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001490372574 1093328654 /nfs/dbraw/zinc/32/86/54/1093328654.db2.gz SSHHASYZQHCKOP-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001490586579 1093432104 /nfs/dbraw/zinc/43/21/04/1093432104.db2.gz HUNYVQRIUKCMLN-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001274124939 1093809201 /nfs/dbraw/zinc/80/92/01/1093809201.db2.gz LIZRWVXJCRUKOM-XLYSIVADSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001274165574 1093831302 /nfs/dbraw/zinc/83/13/02/1093831302.db2.gz ZJSJYLGROKCNGR-SQRWCISFSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691727591 1138215136 /nfs/dbraw/zinc/21/51/36/1138215136.db2.gz LIBFINLBWVBYBQ-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001318446182 1140334014 /nfs/dbraw/zinc/33/40/14/1140334014.db2.gz TYUMLAXDFMLKAI-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001318916554 1140466983 /nfs/dbraw/zinc/46/69/83/1140466983.db2.gz BJXKHMASBWOPFH-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001319043019 1140495415 /nfs/dbraw/zinc/49/54/15/1140495415.db2.gz FHZAYZHVIMWIQJ-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001319876086 1140793937 /nfs/dbraw/zinc/79/39/37/1140793937.db2.gz GRWACKQGYBTSBF-GOSISDBHSA-N 2 0 319.493 2.075 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC[NH2+]CC2)c2ccccc2)CCN1 ZINC001246395124 1140893747 /nfs/dbraw/zinc/89/37/47/1140893747.db2.gz MRBNJLJHKJRMNA-FHWLQOOXSA-N 2 0 312.461 2.351 20 30 DEEDRP N#Cc1cccc(CN([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246441878 1140899253 /nfs/dbraw/zinc/89/92/53/1140899253.db2.gz KSSCMASITIQJCO-FHWLQOOXSA-N 2 0 312.461 2.382 20 30 DEEDRP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001323735861 1141881703 /nfs/dbraw/zinc/88/17/03/1141881703.db2.gz FGAPLTFKYWJWJV-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001329624742 1148946294 /nfs/dbraw/zinc/94/62/94/1148946294.db2.gz STRNJBALAHKQMW-DOTOQJQBSA-N 2 0 303.450 2.302 20 30 DEEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001278662477 1142693961 /nfs/dbraw/zinc/69/39/61/1142693961.db2.gz CGZYRANESALAND-DOTOQJQBSA-N 2 0 313.461 2.071 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001252495033 1142735078 /nfs/dbraw/zinc/73/50/78/1142735078.db2.gz JJVJDIPNIABASX-SFHVURJKSA-N 2 0 310.482 2.042 20 30 DEEDRP C=CCC[C@@H](O)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001252589565 1142773073 /nfs/dbraw/zinc/77/30/73/1142773073.db2.gz NHBPDHWTWJERDA-GOSISDBHSA-N 2 0 310.482 2.138 20 30 DEEDRP C=CCC[C@@H](O)CN(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001252602432 1142784803 /nfs/dbraw/zinc/78/48/03/1142784803.db2.gz AQYUVXKTKZLBPB-GOSISDBHSA-N 2 0 313.530 2.299 20 30 DEEDRP C=C[C@H](O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253587579 1142883050 /nfs/dbraw/zinc/88/30/50/1142883050.db2.gz DLVRIWQQYDNKFJ-OTWHNJEPSA-N 2 0 300.446 2.377 20 30 DEEDRP C/C(NC1CCC2(CC1)OCCO2)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001255620768 1143787701 /nfs/dbraw/zinc/78/77/01/1143787701.db2.gz TZGGKYLRZANCGW-UHFFFAOYSA-N 2 0 317.433 2.339 20 30 DEEDRP CC(C)(C)OC(=O)N[C@H](CCC[NH3+])[NH2+]C1CCC(C#N)CC1 ZINC001256959186 1143876822 /nfs/dbraw/zinc/87/68/22/1143876822.db2.gz TXDLHFBBDJJRHB-JXQTWKCFSA-N 2 0 310.442 2.248 20 30 DEEDRP 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 1144444923 /nfs/dbraw/zinc/44/49/23/1144444923.db2.gz UEDXTOUHUQRWHE-PVAVHDDUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264194833 1144503708 /nfs/dbraw/zinc/50/37/08/1144503708.db2.gz GMESRFBAFVUERZ-JKSUJKDBSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001264424398 1144536638 /nfs/dbraw/zinc/53/66/38/1144536638.db2.gz GWBIWXAXSMWGLG-QBPKDAKJSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001264479037 1144545704 /nfs/dbraw/zinc/54/57/04/1144545704.db2.gz ZENXCDWSDBUNAU-IXDOHACOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001264658131 1144586770 /nfs/dbraw/zinc/58/67/70/1144586770.db2.gz CQNSSBHNCDJPKG-KSZLIROESA-N 2 0 321.509 2.462 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001264682130 1144592547 /nfs/dbraw/zinc/59/25/47/1144592547.db2.gz QNWUVMIFKGNHTM-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264684026 1144593209 /nfs/dbraw/zinc/59/32/09/1144593209.db2.gz PXNFBHDJLDBKIB-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001265397257 1144702007 /nfs/dbraw/zinc/70/20/07/1144702007.db2.gz VCLMPGHBSVJTOW-OAHLLOKOSA-N 2 0 304.438 2.089 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265488237 1144706756 /nfs/dbraw/zinc/70/67/56/1144706756.db2.gz YCVWJNRACOODGY-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265626104 1144719156 /nfs/dbraw/zinc/71/91/56/1144719156.db2.gz OCGXEQNDYXOKNT-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266067098 1144802161 /nfs/dbraw/zinc/80/21/61/1144802161.db2.gz IOZFQCLNDIAIJO-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266099370 1144805154 /nfs/dbraw/zinc/80/51/54/1144805154.db2.gz FDIXOXALSNPMJP-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001280864499 1144860293 /nfs/dbraw/zinc/86/02/93/1144860293.db2.gz PRQTWWGVUZZRSP-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316614071 1144913172 /nfs/dbraw/zinc/91/31/72/1144913172.db2.gz CVTBXSKQSPSXBO-OVYGPGRDSA-N 2 0 307.482 2.166 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001282260152 1145025470 /nfs/dbraw/zinc/02/54/70/1145025470.db2.gz BJIKYGRCANDRCJ-ADKAHSJRSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC/C=C/CC)CC1 ZINC001282497411 1145080151 /nfs/dbraw/zinc/08/01/51/1145080151.db2.gz OFSORSUHFUMLFH-IWAYRVGRSA-N 2 0 319.493 2.124 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001282640281 1145106796 /nfs/dbraw/zinc/10/67/96/1145106796.db2.gz WCPYMXAIGWUREV-IXDOHACOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001282960074 1145214060 /nfs/dbraw/zinc/21/40/60/1145214060.db2.gz XRXNJSNUNSHQAZ-BZSNNMDCSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001282996259 1145229023 /nfs/dbraw/zinc/22/90/23/1145229023.db2.gz LUJONXOCZOXDBN-YTQUADARSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001283101134 1145266967 /nfs/dbraw/zinc/26/69/67/1145266967.db2.gz DKLMUPRFWOTUMA-QBPKDAKJSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001283650226 1145561541 /nfs/dbraw/zinc/56/15/41/1145561541.db2.gz ULWWCAXIPLWDTG-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001284098031 1145797605 /nfs/dbraw/zinc/79/76/05/1145797605.db2.gz WMTGSMNZJOMXIH-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001284335003 1145838475 /nfs/dbraw/zinc/83/84/75/1145838475.db2.gz JIUGYJJTWFLIRI-HZPDHXFCSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501856 1147535781 /nfs/dbraw/zinc/53/57/81/1147535781.db2.gz MHCVNLCDBNWMFZ-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001366780532 1147556670 /nfs/dbraw/zinc/55/66/70/1147556670.db2.gz DTTCWICNRYQEAE-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001316770393 1147577328 /nfs/dbraw/zinc/57/73/28/1147577328.db2.gz FVGGBNBAGRDHLI-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001316772497 1147577843 /nfs/dbraw/zinc/57/78/43/1147577843.db2.gz OUCROHQNPFXGTF-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001316770159 1147596184 /nfs/dbraw/zinc/59/61/84/1147596184.db2.gz LWGZHQHXYYTCPW-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CC[N@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316902871 1147627636 /nfs/dbraw/zinc/62/76/36/1147627636.db2.gz LSCVQRHGJPQHJY-KRWDZBQOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994391 1147645850 /nfs/dbraw/zinc/64/58/50/1147645850.db2.gz HXZBBHKOQPIFEO-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001316998231 1147646821 /nfs/dbraw/zinc/64/68/21/1147646821.db2.gz KLINSAUDLNSJFL-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317045801 1147652638 /nfs/dbraw/zinc/65/26/38/1147652638.db2.gz WXLLVHRKNKTUOD-DLBZAZTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001367215931 1147665249 /nfs/dbraw/zinc/66/52/49/1147665249.db2.gz QPARFNCLBMLSCF-MRXNPFEDSA-N 2 0 321.852 2.097 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001317203861 1147676261 /nfs/dbraw/zinc/67/62/61/1147676261.db2.gz APIQINQMPZNLOM-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001317216527 1147678606 /nfs/dbraw/zinc/67/86/06/1147678606.db2.gz BIEQQDOHXFXNCE-UHFFFAOYSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001317687139 1147744591 /nfs/dbraw/zinc/74/45/91/1147744591.db2.gz QLVYUSWLUJPIDJ-RDJZCZTQSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001324656252 1147826270 /nfs/dbraw/zinc/82/62/70/1147826270.db2.gz LXOIQEDGAJYOKJ-DOTOQJQBSA-N 2 0 304.438 2.381 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001324752222 1147840017 /nfs/dbraw/zinc/84/00/17/1147840017.db2.gz PWVMZHIKXRZFMA-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001324904508 1147856852 /nfs/dbraw/zinc/85/68/52/1147856852.db2.gz IMPRLASTAQGSFN-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001325414113 1147903070 /nfs/dbraw/zinc/90/30/70/1147903070.db2.gz DJHMDEGQIORCCK-GOEBONIOSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001325582537 1147955654 /nfs/dbraw/zinc/95/56/54/1147955654.db2.gz RIACXHUHVCBPMF-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001325656016 1147977767 /nfs/dbraw/zinc/97/77/67/1147977767.db2.gz JRYIFWYMPWBUDA-WKILWMFISA-N 2 0 307.482 2.169 20 30 DEEDRP CN1CC[NH+]=C1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000262646040 529778988 /nfs/dbraw/zinc/77/89/88/529778988.db2.gz JDFXCJOWJPFBAM-UHFFFAOYSA-N 2 0 300.450 2.454 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NC1CC1 ZINC000262670282 530039216 /nfs/dbraw/zinc/03/92/16/530039216.db2.gz PDRZXJXBTOOJPM-WFASDCNBSA-N 2 0 306.479 2.458 20 30 DEEDRP C[NH+]1CCC[C@H]1C(=O)NCC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000329412916 539919948 /nfs/dbraw/zinc/91/99/48/539919948.db2.gz CEQLYRJTRCQPFK-OKILXGFUSA-N 2 0 324.469 2.114 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000417057731 540164594 /nfs/dbraw/zinc/16/45/94/540164594.db2.gz CRUJRDFOQBPFGR-BRWVUGGUSA-N 2 0 322.497 2.254 20 30 DEEDRP C=CC[NH+]1CCC(NC(NCc2sc(C)nc2C)=[NH+]C)CC1 ZINC000089062140 355521170 /nfs/dbraw/zinc/52/11/70/355521170.db2.gz BGZUXBAEXZFVAM-UHFFFAOYSA-N 2 0 321.494 2.075 20 30 DEEDRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000314323755 356416773 /nfs/dbraw/zinc/41/67/73/356416773.db2.gz HZZHEHVJMMLPSP-HNNXBMFYSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@@H]1CCN(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000579623901 357006802 /nfs/dbraw/zinc/00/68/02/357006802.db2.gz CMBVBWSZQLTUMX-MRXNPFEDSA-N 2 0 312.461 2.458 20 30 DEEDRP CN(CC[N@H+](C)CCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000595391704 358438779 /nfs/dbraw/zinc/43/87/79/358438779.db2.gz NLFKLPYOCOZJAK-UHFFFAOYSA-N 2 0 314.477 2.059 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000595892630 358573377 /nfs/dbraw/zinc/57/33/77/358573377.db2.gz NUSVHXLANHGCRA-MOPGFXCFSA-N 2 0 313.445 2.319 20 30 DEEDRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442781599 238075916 /nfs/dbraw/zinc/07/59/16/238075916.db2.gz JKZXMJQGCAWHIW-DLBZAZTESA-N 2 0 301.434 2.451 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000106275968 194193983 /nfs/dbraw/zinc/19/39/83/194193983.db2.gz SXUXPPXWEVKDTD-UHFFFAOYSA-N 2 0 324.513 2.445 20 30 DEEDRP COCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000264065636 285004451 /nfs/dbraw/zinc/00/44/51/285004451.db2.gz BBQAHJZQMWJLLP-UHFFFAOYSA-N 2 0 318.465 2.113 20 30 DEEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000264070829 285205104 /nfs/dbraw/zinc/20/51/04/285205104.db2.gz GBHMJMKFJPROSY-OAHLLOKOSA-N 2 0 318.465 2.112 20 30 DEEDRP C=CCN1CC[C@@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000685000872 542698022 /nfs/dbraw/zinc/69/80/22/542698022.db2.gz USCQNTITHKVGOB-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nccc(C#N)c1Cl ZINC000342822531 145682317 /nfs/dbraw/zinc/68/23/17/145682317.db2.gz DUKVNDNBXHPTRO-UHFFFAOYSA-N 2 0 323.872 2.316 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000111244684 401703224 /nfs/dbraw/zinc/70/32/24/401703224.db2.gz MYLHZGFRSRVETN-OAHLLOKOSA-N 2 0 302.422 2.109 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccccc1 ZINC000161482571 402389031 /nfs/dbraw/zinc/38/90/31/402389031.db2.gz KVYCHBXNZZZLEC-GOSISDBHSA-N 2 0 324.428 2.314 20 30 DEEDRP CCSc1cc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)ccn1 ZINC000186883096 402469325 /nfs/dbraw/zinc/46/93/25/402469325.db2.gz WRTVHWDDWXZQEB-CQSZACIVSA-N 2 0 321.494 2.082 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000171739281 402616922 /nfs/dbraw/zinc/61/69/22/402616922.db2.gz RAIUPJVJSBMJJY-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000195129298 402833019 /nfs/dbraw/zinc/83/30/19/402833019.db2.gz QOBUOGSECGHOQA-SJORKVTESA-N 2 0 322.497 2.078 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000358387671 404761017 /nfs/dbraw/zinc/76/10/17/404761017.db2.gz UHOPPBPRRVGDTG-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420344761 405327155 /nfs/dbraw/zinc/32/71/55/405327155.db2.gz UROYNOAJNBZOPU-CALCHBBNSA-N 2 0 315.461 2.405 20 30 DEEDRP C=CCOCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976519 405418718 /nfs/dbraw/zinc/41/87/18/405418718.db2.gz HDXQNTFPZUERFN-UHFFFAOYSA-N 2 0 309.498 2.071 20 30 DEEDRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560525510 405840985 /nfs/dbraw/zinc/84/09/85/405840985.db2.gz PKAOPKWTDKPBDZ-QGZVFWFLSA-N 2 0 312.461 2.458 20 30 DEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000569803958 406304947 /nfs/dbraw/zinc/30/49/47/406304947.db2.gz GTCPLBAIUWYVEC-BPQIPLTHSA-N 2 0 318.461 2.227 20 30 DEEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000490924180 406507833 /nfs/dbraw/zinc/50/78/33/406507833.db2.gz OERYGLOCNGBVKB-KRWDZBQOSA-N 2 0 321.509 2.204 20 30 DEEDRP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000491523829 406610491 /nfs/dbraw/zinc/61/04/91/406610491.db2.gz HNQYFCLTPQPZKP-JKSUJKDBSA-N 2 0 302.397 2.098 20 30 DEEDRP COCCNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000267382237 292516309 /nfs/dbraw/zinc/51/63/09/292516309.db2.gz AZVIKWAVQZCLDI-HNNXBMFYSA-N 2 0 318.465 2.201 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2cccc(C[NH+]3CCC(C)CC3)c2)N1 ZINC000262665721 225280931 /nfs/dbraw/zinc/28/09/31/225280931.db2.gz OODVBBYWPKTKHH-OAHLLOKOSA-N 2 0 300.450 2.356 20 30 DEEDRP C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378310744 227211831 /nfs/dbraw/zinc/21/18/31/227211831.db2.gz CXDNWILBERIMGZ-IAGOWNOFSA-N 2 0 306.498 2.274 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655425 425193830 /nfs/dbraw/zinc/19/38/30/425193830.db2.gz MIQMHQHJTCYEHZ-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662663002 425705852 /nfs/dbraw/zinc/70/58/52/425705852.db2.gz BPPSARUQZOLWKT-HKUYNNGSSA-N 2 0 313.445 2.075 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCC[NH2+]1 ZINC000662662813 425706340 /nfs/dbraw/zinc/70/63/40/425706340.db2.gz WUBSILIREDMYDV-BBRMVZONSA-N 2 0 307.463 2.165 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC(C[NH+](CC)CC)CC2)CCC[NH2+]1 ZINC000662683914 425712914 /nfs/dbraw/zinc/71/29/14/425712914.db2.gz SSRICGNYPTXAIY-SFHVURJKSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[C@@]1(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000662749698 425728919 /nfs/dbraw/zinc/72/89/19/425728919.db2.gz OEQKXLUYZNMPFK-SFHVURJKSA-N 2 0 319.424 2.072 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000340120147 277850134 /nfs/dbraw/zinc/85/01/34/277850134.db2.gz HFABJPJUYCSELK-IXDOHACOSA-N 2 0 307.482 2.319 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1CC)C(C)C ZINC000353451047 277851939 /nfs/dbraw/zinc/85/19/39/277851939.db2.gz PHJBBUCKYUYRFF-BRWVUGGUSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH3+])CCCCC1)C(C)C ZINC000236678280 332201031 /nfs/dbraw/zinc/20/10/31/332201031.db2.gz WBXXIJVBVTUZCP-MRXNPFEDSA-N 2 0 307.482 2.463 20 30 DEEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001329765325 1148990783 /nfs/dbraw/zinc/99/07/83/1148990783.db2.gz NIMSPWQKYDEDEL-ZWKOTPCHSA-N 2 0 321.509 2.203 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089059526 782141490 /nfs/dbraw/zinc/14/14/90/782141490.db2.gz PNXISPOTMUKELM-ILXRZTDVSA-N 2 0 313.873 2.192 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000264130692 533992557 /nfs/dbraw/zinc/99/25/57/533992557.db2.gz XYJFPCUGUSKCGH-ZDUSSCGKSA-N 2 0 320.437 2.162 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCS[C@H](C(C)C)C1 ZINC000261762529 526371338 /nfs/dbraw/zinc/37/13/38/526371338.db2.gz NEMMHPAJDAMXMA-HOCLYGCPSA-N 2 0 324.538 2.120 20 30 DEEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)NC[C@@H]1CCCS1 ZINC000262002217 526374918 /nfs/dbraw/zinc/37/49/18/526374918.db2.gz UTCGFXUJSUVHNU-KKUMJFAQSA-N 2 0 312.527 2.167 20 30 DEEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261626092 526378540 /nfs/dbraw/zinc/37/85/40/526378540.db2.gz IPIGORJUEWULRT-BQFCYCMXSA-N 2 0 324.513 2.041 20 30 DEEDRP CC(C)CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262545489 527954728 /nfs/dbraw/zinc/95/47/28/527954728.db2.gz UYVRCEFYBQGRDX-UHFFFAOYSA-N 2 0 312.527 2.298 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc2cccnc21 ZINC000264077917 529074382 /nfs/dbraw/zinc/07/43/82/529074382.db2.gz GGUNNFLJBULYHU-MRXNPFEDSA-N 2 0 311.433 2.123 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001327541013 1148581051 /nfs/dbraw/zinc/58/10/51/1148581051.db2.gz LVPXDCGCSYBWQB-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001330538517 1149185558 /nfs/dbraw/zinc/18/55/58/1149185558.db2.gz QVLRAROQMWAHIH-HDICACEKSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001027648522 634383124 /nfs/dbraw/zinc/38/31/24/634383124.db2.gz XAWNKAWIMHHPRT-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]12 ZINC001026385491 625393765 /nfs/dbraw/zinc/39/37/65/625393765.db2.gz CAIHVLUFDBKVQH-KZNAEPCWSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]12 ZINC001026391104 625401073 /nfs/dbraw/zinc/40/10/73/625401073.db2.gz BRVBETZBSUAIJR-KZNAEPCWSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025467706 625461869 /nfs/dbraw/zinc/46/18/69/625461869.db2.gz CIXNRMFBLGKDIT-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000969170463 622602919 /nfs/dbraw/zinc/60/29/19/622602919.db2.gz QVWZGBYJQSEEQL-CABCVRRESA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970025903 623065641 /nfs/dbraw/zinc/06/56/41/623065641.db2.gz ALNHCBUOAMLDTR-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970717637 623639844 /nfs/dbraw/zinc/63/98/44/623639844.db2.gz FNWSVJZCIFJBIS-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970796259 623686282 /nfs/dbraw/zinc/68/62/82/623686282.db2.gz KODICWUDINVNJQ-OAHLLOKOSA-N 2 0 321.852 2.305 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575935 623779892 /nfs/dbraw/zinc/77/98/92/623779892.db2.gz PFRCHBKHHFQJIA-HZPDHXFCSA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021736116 624019085 /nfs/dbraw/zinc/01/90/85/624019085.db2.gz KSDXQXVUIWUHKT-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022351275 624612033 /nfs/dbraw/zinc/61/20/33/624612033.db2.gz VRXNNJLBZZRGKB-ZNMIVQPWSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455925 625277789 /nfs/dbraw/zinc/27/77/89/625277789.db2.gz UGHSWEDUIWCLEW-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000999669843 634655054 /nfs/dbraw/zinc/65/50/54/634655054.db2.gz BFNALFCWQQBEJC-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1(C)C ZINC000995888354 633138497 /nfs/dbraw/zinc/13/84/97/633138497.db2.gz XDAVLJHBIVDRPF-DLBZAZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996250395 633218447 /nfs/dbraw/zinc/21/84/47/633218447.db2.gz WICXMJHOWHZQEF-ZIAGYGMSSA-N 2 0 315.889 2.152 20 30 DEEDRP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974679127 633231058 /nfs/dbraw/zinc/23/10/58/633231058.db2.gz GMGZTNQAZILJIH-HZPDHXFCSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686890 633236344 /nfs/dbraw/zinc/23/63/44/633236344.db2.gz YJRKMNUVAXDHDJ-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996378072 633250545 /nfs/dbraw/zinc/25/05/45/633250545.db2.gz DFRKXCYJXMIYDW-JKSUJKDBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996674783 633343031 /nfs/dbraw/zinc/34/30/31/633343031.db2.gz WWFPDOBHWKKGTP-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000996836815 633457897 /nfs/dbraw/zinc/45/78/97/633457897.db2.gz KUFCWCROCMWAJX-UHFFFAOYSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997079972 633568012 /nfs/dbraw/zinc/56/80/12/633568012.db2.gz URCXDKVPMMRKHL-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027442155 633795488 /nfs/dbraw/zinc/79/54/88/633795488.db2.gz BRQODCFYGLBELI-LSDHHAIUSA-N 2 0 313.873 2.002 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505111 633916272 /nfs/dbraw/zinc/91/62/72/633916272.db2.gz KEJYHKFTJONBBM-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977438002 633981522 /nfs/dbraw/zinc/98/15/22/633981522.db2.gz GGTGWVXBIUXKBI-QGZVFWFLSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997874085 634016635 /nfs/dbraw/zinc/01/66/35/634016635.db2.gz KBNCQIASZFLUCZ-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998018610 634115151 /nfs/dbraw/zinc/11/51/51/634115151.db2.gz VUJAZCLTFMSLDC-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101094 634141304 /nfs/dbraw/zinc/14/13/04/634141304.db2.gz GDLVKVYZUAPNNR-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998188295 634163727 /nfs/dbraw/zinc/16/37/27/634163727.db2.gz JDXRLRFROQKIPQ-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603085 634266264 /nfs/dbraw/zinc/26/62/64/634266264.db2.gz DIBGYCSFJCDDBK-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027929285 634991173 /nfs/dbraw/zinc/99/11/73/634991173.db2.gz DCOXINGHTQFHJA-HZPDHXFCSA-N 2 0 316.449 2.307 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980479171 635017171 /nfs/dbraw/zinc/01/71/71/635017171.db2.gz UEMCYFKYOLXVPJ-QGZVFWFLSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000702542 635271220 /nfs/dbraw/zinc/27/12/20/635271220.db2.gz TYVFVBONGIGVKC-NVXWUHKLSA-N 2 0 305.466 2.041 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981332211 635438302 /nfs/dbraw/zinc/43/83/02/635438302.db2.gz TWIKVLWZSPTOCR-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001332925 635465408 /nfs/dbraw/zinc/46/54/08/635465408.db2.gz RQHZJYZRYYVGCQ-UHFFFAOYSA-N 2 0 305.466 2.041 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000981448884 635480274 /nfs/dbraw/zinc/48/02/74/635480274.db2.gz XWTBSKOCTSZGMK-ZWKOTPCHSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404630 635488217 /nfs/dbraw/zinc/48/82/17/635488217.db2.gz JKPPVJRFSMBVHG-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001001523346 635521139 /nfs/dbraw/zinc/52/11/39/635521139.db2.gz RVMLGSWQVXVWQX-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCn3ccnc3)C2)C1 ZINC000981924333 635734276 /nfs/dbraw/zinc/73/42/76/635734276.db2.gz IHNUXWDJKANTAX-UHFFFAOYSA-N 2 0 316.449 2.164 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163803 635890356 /nfs/dbraw/zinc/89/03/56/635890356.db2.gz SWOSPDYVIDUGLY-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003775968 636050969 /nfs/dbraw/zinc/05/09/69/636050969.db2.gz DCGZYHBFKRQVCG-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP 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 636216282 /nfs/dbraw/zinc/21/62/82/636216282.db2.gz QJBHMMHFQUPMMM-QRQLOZEOSA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647444 636544710 /nfs/dbraw/zinc/54/47/10/636544710.db2.gz IGQQAMNVSLVVLB-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658898 636568236 /nfs/dbraw/zinc/56/82/36/636568236.db2.gz JDLNMYMGFBBKEN-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776322 636644609 /nfs/dbraw/zinc/64/46/09/636644609.db2.gz LMYDOSXCRXRNCH-CALCHBBNSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCN(C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000894863287 637271930 /nfs/dbraw/zinc/27/19/30/637271930.db2.gz WMOAPKANOXKSBE-UHFFFAOYSA-N 2 0 302.418 2.376 20 30 DEEDRP CC#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895098358 637554356 /nfs/dbraw/zinc/55/43/56/637554356.db2.gz JXDDMTDYRNSUMI-NZSAHSFTSA-N 2 0 300.446 2.261 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985750503 639614566 /nfs/dbraw/zinc/61/45/66/639614566.db2.gz GNHFEWVKEURRND-DOTOQJQBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767726 641985405 /nfs/dbraw/zinc/98/54/05/641985405.db2.gz YOKTUTODHXFHPN-MJQMVNBJSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000899961517 642220668 /nfs/dbraw/zinc/22/06/68/642220668.db2.gz RFGITZOSDRQFFT-OAHLLOKOSA-N 2 0 305.422 2.041 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000780353755 642615369 /nfs/dbraw/zinc/61/53/69/642615369.db2.gz GZJMWTPNTOIMHJ-QZTJIDSGSA-N 2 0 314.429 2.320 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000843813758 651034412 /nfs/dbraw/zinc/03/44/12/651034412.db2.gz FSOTUYBMKDEYLH-YJBOKZPZSA-N 2 0 315.461 2.131 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000911913801 645876771 /nfs/dbraw/zinc/87/67/71/645876771.db2.gz GSWSTNIIHFPJET-LJQANCHMSA-N 2 0 315.461 2.275 20 30 DEEDRP 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 646860199 /nfs/dbraw/zinc/86/01/99/646860199.db2.gz DCHIGRZLRVUEBO-DWRORGKVSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992435437 647000908 /nfs/dbraw/zinc/00/09/08/647000908.db2.gz UWEWBRRWLBJQOM-JENIJYKNSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000913791657 647045786 /nfs/dbraw/zinc/04/57/86/647045786.db2.gz BRWKBGGPWKTRDT-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000992710818 647193388 /nfs/dbraw/zinc/19/33/88/647193388.db2.gz JUSKTUSCPKNYQA-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993922597 647767374 /nfs/dbraw/zinc/76/73/74/647767374.db2.gz BWQOOIBWXDEBGW-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624474 648908030 /nfs/dbraw/zinc/90/80/30/648908030.db2.gz HYSRXANWKCBPTO-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785076 648941456 /nfs/dbraw/zinc/94/14/56/648941456.db2.gz HBFGFMLNZGVSJO-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941076281 648995138 /nfs/dbraw/zinc/99/51/38/648995138.db2.gz VIOWICYQXCATQZ-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863853 649096635 /nfs/dbraw/zinc/09/66/35/649096635.db2.gz QBHKGUIPJXIFPY-QGZVFWFLSA-N 2 0 320.481 2.168 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518564 649232833 /nfs/dbraw/zinc/23/28/33/649232833.db2.gz TZNTWQCYBZWCPT-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC#N)C2)ccn1 ZINC000856583359 651954367 /nfs/dbraw/zinc/95/43/67/651954367.db2.gz FVMJTDYZUCPFBQ-QGZVFWFLSA-N 2 0 302.422 2.290 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600903 651955114 /nfs/dbraw/zinc/95/51/14/651955114.db2.gz YTLCRPPGAIXMLV-GOSISDBHSA-N 2 0 301.434 2.398 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129744 693856164 /nfs/dbraw/zinc/85/61/64/693856164.db2.gz YOYJDFGCNZLUNY-PKOBYXMFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192306 693875698 /nfs/dbraw/zinc/87/56/98/693875698.db2.gz USJKRABTFOKSFJ-SJLPKXTDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054197908 693880011 /nfs/dbraw/zinc/88/00/11/693880011.db2.gz LNUKSHSIIQTEKC-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP CC(C)(CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCCC1 ZINC000303780753 685234114 /nfs/dbraw/zinc/23/41/14/685234114.db2.gz LOZJZTVLUBBHQH-UHFFFAOYSA-N 2 0 302.466 2.398 20 30 DEEDRP CC1CC[NH+](CC[NH+]=C(NCc2ccccc2)N(C)C)CC1 ZINC000303876438 685236819 /nfs/dbraw/zinc/23/68/19/685236819.db2.gz FATHSZMAXPQOCS-UHFFFAOYSA-N 2 0 302.466 2.426 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000929779542 694026673 /nfs/dbraw/zinc/02/66/73/694026673.db2.gz BFCLDBUSKGWOMQ-QAPCUYQASA-N 2 0 313.445 2.411 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001015972263 687487074 /nfs/dbraw/zinc/48/70/74/687487074.db2.gz IMNONKAADOKZCO-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016830421 687711710 /nfs/dbraw/zinc/71/17/10/687711710.db2.gz SCNNKNKXECMQNS-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016892913 687728382 /nfs/dbraw/zinc/72/83/82/687728382.db2.gz REOKSRMOXOHGBK-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155966 688940620 /nfs/dbraw/zinc/94/06/20/688940620.db2.gz BPKKXIQWZKDNHG-UXLLHSPISA-N 2 0 307.482 2.297 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001032119254 689066743 /nfs/dbraw/zinc/06/67/43/689066743.db2.gz JVJHKLGMHHDUPG-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320984 689461233 /nfs/dbraw/zinc/46/12/33/689461233.db2.gz YSJGIEPJDIJPDK-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033424528 689496199 /nfs/dbraw/zinc/49/61/99/689496199.db2.gz DDLGNHKAJINGRS-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238930 689776421 /nfs/dbraw/zinc/77/64/21/689776421.db2.gz OYCSMMFXJOQQBN-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCCC)C2)CC1 ZINC001034538863 689891263 /nfs/dbraw/zinc/89/12/63/689891263.db2.gz SYCKJLFWRYTFJI-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000876717497 689913597 /nfs/dbraw/zinc/91/35/97/689913597.db2.gz GPIIUOQZYAQHGT-KBPBESRZSA-N 2 0 303.878 2.329 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001034698540 689928499 /nfs/dbraw/zinc/92/84/99/689928499.db2.gz OCLGINLRGZYGMJ-ULQDDVLXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035226376 690065836 /nfs/dbraw/zinc/06/58/36/690065836.db2.gz HLRUJVAQAGWORN-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035227638 690066776 /nfs/dbraw/zinc/06/67/76/690066776.db2.gz TYMNALCQARWMDK-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035857765 690194654 /nfs/dbraw/zinc/19/46/54/690194654.db2.gz DMNQLSABFXZXFE-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001036027448 690239025 /nfs/dbraw/zinc/23/90/25/690239025.db2.gz BGFSJSRNSGZHIV-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001036202013 690289110 /nfs/dbraw/zinc/28/91/10/690289110.db2.gz FRISZMOBKCKDMG-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833445 690492058 /nfs/dbraw/zinc/49/20/58/690492058.db2.gz UFUQEUGKMTTZJU-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038700205 690901256 /nfs/dbraw/zinc/90/12/56/690901256.db2.gz PLXRGSJCJHVNBX-SFHVURJKSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039158189 691035447 /nfs/dbraw/zinc/03/54/47/691035447.db2.gz NLVKRDLFMDQQTB-GOSISDBHSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039280231 691074129 /nfs/dbraw/zinc/07/41/29/691074129.db2.gz JFKFWLWXYGWLII-MQVJKMGUSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039410872 691101035 /nfs/dbraw/zinc/10/10/35/691101035.db2.gz CYDSHYFFOMLCLB-FGTMMUONSA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040236204 691217422 /nfs/dbraw/zinc/21/74/22/691217422.db2.gz JUFXROZJWAHPSD-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380779 691239617 /nfs/dbraw/zinc/23/96/17/691239617.db2.gz UVFACTQTXHDQPI-MJGOQNOKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377354 691369065 /nfs/dbraw/zinc/36/90/65/691369065.db2.gz AZMTZZNESNNCAS-WMZOPIPTSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041474822 691381406 /nfs/dbraw/zinc/38/14/06/691381406.db2.gz DCLWHAVHWFVFFR-LJQANCHMSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132274 691516615 /nfs/dbraw/zinc/51/66/15/691516615.db2.gz APOPJTAOKHFUBS-YJBOKZPZSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133346 691517523 /nfs/dbraw/zinc/51/75/23/691517523.db2.gz JDTMHNAEVAVORS-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042254195 691549622 /nfs/dbraw/zinc/54/96/22/691549622.db2.gz IXEXKPDMRKXDOL-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001044656062 691866501 /nfs/dbraw/zinc/86/65/01/691866501.db2.gz ABVWSVOMSAWDFE-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001044800649 691888963 /nfs/dbraw/zinc/88/89/63/691888963.db2.gz LSACZXMFQYVMJH-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045619788 692006531 /nfs/dbraw/zinc/00/65/31/692006531.db2.gz KXLAHGOURJDLHE-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)CN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046314244 692149300 /nfs/dbraw/zinc/14/93/00/692149300.db2.gz ABWKSMHAUQZLLB-GDBMZVCRSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001048511256 692634730 /nfs/dbraw/zinc/63/47/30/692634730.db2.gz XYBFRDUDDBKTEC-YYIAUSFCSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049147211 692774317 /nfs/dbraw/zinc/77/43/17/692774317.db2.gz QEVLKWAVSBKFHR-HDICACEKSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049370355 692857540 /nfs/dbraw/zinc/85/75/40/692857540.db2.gz UYKWBFRVRSPXIE-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049518113 692909364 /nfs/dbraw/zinc/90/93/64/692909364.db2.gz QFDXBJNLPGHJQN-HOTGVXAUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531983 692913921 /nfs/dbraw/zinc/91/39/21/692913921.db2.gz FXRWSOSMHHCCAJ-BBWFWOEESA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050728445 693239082 /nfs/dbraw/zinc/23/90/82/693239082.db2.gz SHUUQPOHKQTRFX-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)nc1 ZINC000925892671 693360622 /nfs/dbraw/zinc/36/06/22/693360622.db2.gz DGPIIPDHWHTRGM-KRWDZBQOSA-N 2 0 309.417 2.435 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619272 693580874 /nfs/dbraw/zinc/58/08/74/693580874.db2.gz FDNLFHFBIVAWSK-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052652034 693589030 /nfs/dbraw/zinc/58/90/30/693589030.db2.gz RLAGAKLKNZEJBU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052657936 693590270 /nfs/dbraw/zinc/59/02/70/693590270.db2.gz ASHQDLVZVUXOAG-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001332143608 1149825370 /nfs/dbraw/zinc/82/53/70/1149825370.db2.gz BOGXPGOBWNLGNY-YESZJQIVSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001332149090 1149825724 /nfs/dbraw/zinc/82/57/24/1149825724.db2.gz SWKJAEDNUGUHIR-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001332218718 1149836953 /nfs/dbraw/zinc/83/69/53/1149836953.db2.gz LRTHLIYYKBKGLY-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001332960556 1149936601 /nfs/dbraw/zinc/93/66/01/1149936601.db2.gz VRVQMFVROGGKIS-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001353536494 1151836887 /nfs/dbraw/zinc/83/68/87/1151836887.db2.gz ZGNAQPRSXFGPTH-PVAVHDDUSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001382359013 1153435064 /nfs/dbraw/zinc/43/50/64/1153435064.db2.gz VQOJHAQHORAALM-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001390166683 1155554189 /nfs/dbraw/zinc/55/41/89/1155554189.db2.gz ZDDJGZLNXYNLAX-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001373856411 1157411627 /nfs/dbraw/zinc/41/16/27/1157411627.db2.gz CQOLRSCFCJIQPQ-CYBMUJFWSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001375745491 1158860262 /nfs/dbraw/zinc/86/02/62/1158860262.db2.gz YPVXSBFTKGLCOT-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001376936401 1159850897 /nfs/dbraw/zinc/85/08/97/1159850897.db2.gz OUMDSZKRLNQUDU-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001401872345 1162161514 /nfs/dbraw/zinc/16/15/14/1162161514.db2.gz ODXULKNKBXBGKY-LSDHHAIUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001405862882 1164298289 /nfs/dbraw/zinc/29/82/89/1164298289.db2.gz JVASGBXUIUJGQN-ZDUSSCGKSA-N 2 0 303.878 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001406919181 1164883788 /nfs/dbraw/zinc/88/37/88/1164883788.db2.gz MRVRPWGYPGVDPV-UHFFFAOYSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001407103642 1164976677 /nfs/dbraw/zinc/97/66/77/1164976677.db2.gz FTDXBOQEKWDQJU-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001418314829 1167570385 /nfs/dbraw/zinc/57/03/85/1167570385.db2.gz BIJSVUYMAQKTPK-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001418314825 1167570903 /nfs/dbraw/zinc/57/09/03/1167570903.db2.gz BIJSVUYMAQKTPK-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001422051397 1172256644 /nfs/dbraw/zinc/25/66/44/1172256644.db2.gz GOISAFNQLLVSAZ-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001422294926 1172462377 /nfs/dbraw/zinc/46/23/77/1172462377.db2.gz XLTWITRZKNSXTE-YMAMQOFZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001436909034 1179298068 /nfs/dbraw/zinc/29/80/68/1179298068.db2.gz CBIFBCGOUJYRHE-IHRRRGAJSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001441613979 1182091276 /nfs/dbraw/zinc/09/12/76/1182091276.db2.gz HLJHJUAUFUYODR-HNNXBMFYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001441848644 1182213314 /nfs/dbraw/zinc/21/33/14/1182213314.db2.gz ZQGYAEXYHQYZKV-KGLIPLIRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001445353106 1183843980 /nfs/dbraw/zinc/84/39/80/1183843980.db2.gz CLJKGPNCXIHJMS-INIZCTEOSA-N 2 0 303.450 2.131 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001072857337 790275194 /nfs/dbraw/zinc/27/51/94/790275194.db2.gz URPYXINNUMJGRR-UHFFFAOYSA-N 2 0 310.401 2.287 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898197 790293180 /nfs/dbraw/zinc/29/31/80/790293180.db2.gz NKQZEWNVYNEOFJ-UHFFFAOYSA-N 2 0 310.401 2.058 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001332859795 1149904977 /nfs/dbraw/zinc/90/49/77/1149904977.db2.gz KCKPMFWDYUAQGJ-IRXDYDNUSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106245921 782565742 /nfs/dbraw/zinc/56/57/42/782565742.db2.gz GABADHHIKCFECN-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001333167798 1150009979 /nfs/dbraw/zinc/00/99/79/1150009979.db2.gz RICKVUHMRPGRGN-KRWDZBQOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106323227 782651032 /nfs/dbraw/zinc/65/10/32/782651032.db2.gz ZKJBULUDINGCCR-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524420 783002364 /nfs/dbraw/zinc/00/23/64/783002364.db2.gz VGRLONGIQOWHPN-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389787 783063600 /nfs/dbraw/zinc/06/36/00/783063600.db2.gz VXLZGBLECKYPNN-BZUAXINKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419428 783088702 /nfs/dbraw/zinc/08/87/02/783088702.db2.gz GKZPSFAJCVEKQG-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125545 790473239 /nfs/dbraw/zinc/47/32/39/790473239.db2.gz AKMJLLPFGFKBTF-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206929185 776798839 /nfs/dbraw/zinc/79/88/39/776798839.db2.gz XWTVPPVIHZPTTA-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627204 777406295 /nfs/dbraw/zinc/40/62/95/777406295.db2.gz LZUDKAJRYLEHFQ-AWEZNQCLSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087301602 777750463 /nfs/dbraw/zinc/75/04/63/777750463.db2.gz FRUTUBRDSRFMKB-BRWVUGGUSA-N 2 0 319.493 2.119 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001104804083 778187346 /nfs/dbraw/zinc/18/73/46/778187346.db2.gz NMANIEFIVUXKKO-KZNAEPCWSA-N 2 0 321.509 2.060 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001104802100 778188369 /nfs/dbraw/zinc/18/83/69/778188369.db2.gz AOYZJXVMYFXOSJ-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669174 778516117 /nfs/dbraw/zinc/51/61/17/778516117.db2.gz LYEUIEHNYCHRAD-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211702738 778728270 /nfs/dbraw/zinc/72/82/70/778728270.db2.gz AWDMKJGGTXAMJN-ZWKOTPCHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461828 790671953 /nfs/dbraw/zinc/67/19/53/790671953.db2.gz IBZXWVMQHHDTTG-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@H]1CC ZINC001087625512 779383551 /nfs/dbraw/zinc/38/35/51/779383551.db2.gz KRPYTLYUELTZGE-GVDBMIGSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087725862 779425368 /nfs/dbraw/zinc/42/53/68/779425368.db2.gz HMZZBMXBVQWXRL-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027803 779645558 /nfs/dbraw/zinc/64/55/58/779645558.db2.gz GBHVZFXNNSZZGV-SJORKVTESA-N 2 0 324.428 2.304 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000985474563 779857643 /nfs/dbraw/zinc/85/76/43/779857643.db2.gz NYVXXVJAZNYHFU-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001088340979 779994097 /nfs/dbraw/zinc/99/40/97/779994097.db2.gz UAHZRMPSEMIAAR-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001088380910 780048125 /nfs/dbraw/zinc/04/81/25/780048125.db2.gz SDRKJBXKUBDKJX-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001088407868 780080835 /nfs/dbraw/zinc/08/08/35/780080835.db2.gz HJIVBJSTIVSWID-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622277 780662775 /nfs/dbraw/zinc/66/27/75/780662775.db2.gz OKMZMNATOSXVQD-HYVNUMGLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112428433 783359895 /nfs/dbraw/zinc/35/98/95/783359895.db2.gz HSRXJMOFDVZDCN-SCTDSRPQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732155 783395630 /nfs/dbraw/zinc/39/56/30/783395630.db2.gz NQYJTLTYASZEDD-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085593386 783859252 /nfs/dbraw/zinc/85/92/52/783859252.db2.gz IKWNVQZULFXLIG-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876157 784165919 /nfs/dbraw/zinc/16/59/19/784165919.db2.gz SQNOWHPAWLVHRO-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986899 784284492 /nfs/dbraw/zinc/28/44/92/784284492.db2.gz PBPOYDBCSZSLIN-KRWDZBQOSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086106696 784414318 /nfs/dbraw/zinc/41/43/18/784414318.db2.gz VBYMGKVYFTTXSV-HLLBOEOZSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924880 784537548 /nfs/dbraw/zinc/53/75/48/784537548.db2.gz KHGKKSHVMFEWKQ-ITQYTPKQSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086387851 784642300 /nfs/dbraw/zinc/64/23/00/784642300.db2.gz XQVBTNHAVUMSPL-JFIYKMOQSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968990999 784683294 /nfs/dbraw/zinc/68/32/94/784683294.db2.gz SZDOUNVJFCBLIP-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008162948 785124438 /nfs/dbraw/zinc/12/44/38/785124438.db2.gz NPWBBEZLCPAZLB-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171237541 791088616 /nfs/dbraw/zinc/08/86/16/791088616.db2.gz QSQLXEVGUZNRKF-SJORKVTESA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797424 785362230 /nfs/dbraw/zinc/36/22/30/785362230.db2.gz FTLHGQALVREOLU-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CCCC2(C1)OCCO2 ZINC001169937660 785426382 /nfs/dbraw/zinc/42/63/82/785426382.db2.gz YFARKTXUSNKHHA-QGZVFWFLSA-N 2 0 317.433 2.339 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001108756924 785526122 /nfs/dbraw/zinc/52/61/22/785526122.db2.gz ZCTSQBYBGHTIQI-JQHSSLGASA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108784703 785538225 /nfs/dbraw/zinc/53/82/25/785538225.db2.gz YHFMBGIFIODKLL-ZNMIVQPWSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828263 785566853 /nfs/dbraw/zinc/56/68/53/785566853.db2.gz JUGUFIZFPMSRAF-ULQDDVLXSA-N 2 0 305.466 2.018 20 30 DEEDRP 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 786088496 /nfs/dbraw/zinc/08/84/96/786088496.db2.gz LMRWYKSIKNYYQM-OWSLCNJRSA-N 2 0 319.493 2.098 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC001170047886 786157536 /nfs/dbraw/zinc/15/75/36/786157536.db2.gz UMFVQHLSZZFGPN-ZWKOTPCHSA-N 2 0 301.434 2.410 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113352876 786546150 /nfs/dbraw/zinc/54/61/50/786546150.db2.gz AYPCPGHROJLEFW-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCCCC)CC2)CC1 ZINC001113682857 786758054 /nfs/dbraw/zinc/75/80/54/786758054.db2.gz VATQDAIGPNSECI-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212270 787967708 /nfs/dbraw/zinc/96/77/08/787967708.db2.gz VWGHEVVZGRFEFV-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085563 787972862 /nfs/dbraw/zinc/97/28/62/787972862.db2.gz IMBORPSUAPJCMQ-XDNAFOTISA-N 2 0 317.477 2.016 20 30 DEEDRP 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 788021087 /nfs/dbraw/zinc/02/10/87/788021087.db2.gz WNXHEWLZSRATCD-TVFCKZIOSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CCCn2ccnc2C)CC[C@@H]1C ZINC001132354737 788035912 /nfs/dbraw/zinc/03/59/12/788035912.db2.gz OYLSLXRKADYAFH-GOEBONIOSA-N 2 0 304.438 2.127 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132949992 788236788 /nfs/dbraw/zinc/23/67/88/788236788.db2.gz IVERFUASMASNGB-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132956140 788242815 /nfs/dbraw/zinc/24/28/15/788242815.db2.gz YUHKQIAVVZGLHR-RDJZCZTQSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064872 788271112 /nfs/dbraw/zinc/27/11/12/788271112.db2.gz QNAGQDCBIAKTES-GDBMZVCRSA-N 2 0 319.449 2.215 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133121289 788287451 /nfs/dbraw/zinc/28/74/51/788287451.db2.gz GBHOMZNMPVSPTR-IAGOWNOFSA-N 2 0 321.509 2.062 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133162386 788303484 /nfs/dbraw/zinc/30/34/84/788303484.db2.gz LWSJYAOHTQGZFM-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133161727 788303735 /nfs/dbraw/zinc/30/37/35/788303735.db2.gz ADUOMBBJLVWNLP-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001133176993 788307950 /nfs/dbraw/zinc/30/79/50/788307950.db2.gz BTMPPEHHSZNKOV-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275141 788345866 /nfs/dbraw/zinc/34/58/66/788345866.db2.gz PYDFZMGELREGFD-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691197 789451121 /nfs/dbraw/zinc/45/11/21/789451121.db2.gz PUZFIBALZDEGFP-SJORKVTESA-N 2 0 309.498 2.395 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071628175 789825881 /nfs/dbraw/zinc/82/58/81/789825881.db2.gz NWZAALUJDZITPI-ZBFHGGJFSA-N 2 0 324.428 2.249 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397764 791278437 /nfs/dbraw/zinc/27/84/37/791278437.db2.gz IWOMPDRRXBOZNN-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001146706535 791343917 /nfs/dbraw/zinc/34/39/17/791343917.db2.gz GKXRXGSVXJFETE-IRXDYDNUSA-N 2 0 315.461 2.015 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146712737 791347538 /nfs/dbraw/zinc/34/75/38/791347538.db2.gz FHIZKCWNGFGBFD-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147787883 791624828 /nfs/dbraw/zinc/62/48/28/791624828.db2.gz LETWPZAMENNBKQ-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP CCCCCCC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148058552 791672134 /nfs/dbraw/zinc/67/21/34/791672134.db2.gz ZKBQCMAFQGILOG-UHFFFAOYSA-N 2 0 306.454 2.437 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148547893 791769135 /nfs/dbraw/zinc/76/91/35/791769135.db2.gz HYJBBNXIRQGEFC-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086907740 791845104 /nfs/dbraw/zinc/84/51/04/791845104.db2.gz AGYIOXGLHBEFJO-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938420 791855879 /nfs/dbraw/zinc/85/58/79/791855879.db2.gz PWYOTCWWCGSYGN-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943910 791909672 /nfs/dbraw/zinc/90/96/72/791909672.db2.gz JKPXQQVCLGFKFI-LMMKCTJWSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110723 792100016 /nfs/dbraw/zinc/10/00/16/792100016.db2.gz HTXYPWIHTMDSAG-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099122450 792104379 /nfs/dbraw/zinc/10/43/79/792104379.db2.gz UFQKIKCYDMHCLR-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP 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 792120481 /nfs/dbraw/zinc/12/04/81/792120481.db2.gz OVYLXZXWQFJYJD-BDXSIMOUSA-N 2 0 319.493 2.404 20 30 DEEDRP 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 792224016 /nfs/dbraw/zinc/22/40/16/792224016.db2.gz LSQFXHIRZBYPPA-HZMVEIRTSA-N 2 0 319.493 2.072 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100333621 792596064 /nfs/dbraw/zinc/59/60/64/792596064.db2.gz GJOSAMQIICSUFM-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100405753 792632402 /nfs/dbraw/zinc/63/24/02/792632402.db2.gz LNSZGVUSPGSHCF-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503686 792950196 /nfs/dbraw/zinc/95/01/96/792950196.db2.gz OBNVHWIVIJEPSD-IEBWSBKVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348687 793130023 /nfs/dbraw/zinc/13/00/23/793130023.db2.gz DRYJFVLNCARGPG-MJGOQNOKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101365626 793134058 /nfs/dbraw/zinc/13/40/58/793134058.db2.gz AXZGHODJFMCLGW-RYRKJORJSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599851 793669024 /nfs/dbraw/zinc/66/90/24/793669024.db2.gz AUKGINYHLJDQCU-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268283 794012172 /nfs/dbraw/zinc/01/21/72/794012172.db2.gz VKLUPEDVOJLGRJ-NXHRZFHOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398541 794073751 /nfs/dbraw/zinc/07/37/51/794073751.db2.gz XOCVMNQIWGSXNO-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001175218311 794161812 /nfs/dbraw/zinc/16/18/12/794161812.db2.gz QAQMKVANXCIGSO-SJORKVTESA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782554 794479303 /nfs/dbraw/zinc/47/93/03/794479303.db2.gz NTSKWGMVVRKMCP-SCTDSRPQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782553 794479900 /nfs/dbraw/zinc/47/99/00/794479900.db2.gz NTSKWGMVVRKMCP-LNLFQRSKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855669 794502481 /nfs/dbraw/zinc/50/24/81/794502481.db2.gz HIXMVLLPFPADND-LPHOPBHVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111938344 794530813 /nfs/dbraw/zinc/53/08/13/794530813.db2.gz XGBHFOPHMLCIKC-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413482 794628326 /nfs/dbraw/zinc/62/83/26/794628326.db2.gz QABFFSOSWFIEIB-LNLFQRSKSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115293038 794724482 /nfs/dbraw/zinc/72/44/82/794724482.db2.gz ZSAAPBGWJSGVRF-IMBTUZDBSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360948 794908967 /nfs/dbraw/zinc/90/89/67/794908967.db2.gz SXWFLHYJAHCJCQ-YESZJQIVSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409280 795114764 /nfs/dbraw/zinc/11/47/64/795114764.db2.gz KJHORKOKIQYMRC-QAETUUGQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967702 795221719 /nfs/dbraw/zinc/22/17/19/795221719.db2.gz HRNGJZJCOVLEEY-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180061162 795233694 /nfs/dbraw/zinc/23/36/94/795233694.db2.gz ZENCWUIMSHMINF-DLBZAZTESA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001181801191 795542326 /nfs/dbraw/zinc/54/23/26/795542326.db2.gz PKXRSVMDOAQZQL-SOLBZPMBSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001121133842 795593650 /nfs/dbraw/zinc/59/36/50/795593650.db2.gz INEMSJXIDPQJNZ-NYXDSXFPSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121791566 795687522 /nfs/dbraw/zinc/68/75/22/795687522.db2.gz UIQRLALSYRWEDH-UHFFFAOYSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182591688 795712699 /nfs/dbraw/zinc/71/26/99/795712699.db2.gz ZNMJEOWCMGAPMT-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001122080979 795724167 /nfs/dbraw/zinc/72/41/67/795724167.db2.gz XXGSFYNTXMOQOI-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122249848 795739250 /nfs/dbraw/zinc/73/92/50/795739250.db2.gz ZBLAJUXHKXEFGY-UHFFFAOYSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]cn2)C[C@@H]1C ZINC001184533498 796076063 /nfs/dbraw/zinc/07/60/63/796076063.db2.gz FZHSEKYYOOVFHG-GXTWGEPZSA-N 2 0 324.856 2.169 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001137552888 796112746 /nfs/dbraw/zinc/11/27/46/796112746.db2.gz HPPFKCGDEHKBOM-DLBZAZTESA-N 2 0 315.461 2.226 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184821946 796133378 /nfs/dbraw/zinc/13/33/78/796133378.db2.gz NMPHQYMPCUQRHX-HUUCEWRRSA-N 2 0 312.417 2.208 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184821370 796133395 /nfs/dbraw/zinc/13/33/95/796133395.db2.gz JQMLAFTTYXBSBK-HZPDHXFCSA-N 2 0 324.428 2.045 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202973618 796428599 /nfs/dbraw/zinc/42/85/99/796428599.db2.gz KYKFOCDYOIYZMQ-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)cc(C#N)c1 ZINC001139875542 796439534 /nfs/dbraw/zinc/43/95/34/796439534.db2.gz SZKXQPYLFRURBC-UHFFFAOYSA-N 2 0 320.456 2.403 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219232 796645590 /nfs/dbraw/zinc/64/55/90/796645590.db2.gz IKVAIKIORCNRCG-SOLBZPMBSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979182 796758279 /nfs/dbraw/zinc/75/82/79/796758279.db2.gz KJQGKOMRGURZLR-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191062008 797130842 /nfs/dbraw/zinc/13/08/42/797130842.db2.gz PXCMHOSRPRFUFZ-KRWDZBQOSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080557 797133366 /nfs/dbraw/zinc/13/33/66/797133366.db2.gz IWQFKBAKRWLZBW-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191360845 797189956 /nfs/dbraw/zinc/18/99/56/797189956.db2.gz TYQGRQMEYXSNLZ-ZBFHGGJFSA-N 2 0 304.438 2.079 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455563 797538483 /nfs/dbraw/zinc/53/84/83/797538483.db2.gz UDMHGFAPHAGVBB-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011596 797662456 /nfs/dbraw/zinc/66/24/56/797662456.db2.gz VGQFSGCZTFULQP-SJORKVTESA-N 2 0 309.498 2.441 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080214 797674367 /nfs/dbraw/zinc/67/43/67/797674367.db2.gz IMARHCUAXZQDMQ-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275819 797697406 /nfs/dbraw/zinc/69/74/06/797697406.db2.gz YFGGXVCSGIGYES-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255550 797718898 /nfs/dbraw/zinc/71/88/98/797718898.db2.gz SPXSWRWIVGDEFZ-QGZVFWFLSA-N 2 0 317.477 2.174 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001197158189 798157333 /nfs/dbraw/zinc/15/73/33/798157333.db2.gz KJQCWERMCBUOTH-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203315843 798324654 /nfs/dbraw/zinc/32/46/54/798324654.db2.gz BPDFUYHBZBKSBC-HZPDHXFCSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646133 798442991 /nfs/dbraw/zinc/44/29/91/798442991.db2.gz GYIQAVLFUPCFPC-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158704161 798453442 /nfs/dbraw/zinc/45/34/42/798453442.db2.gz GCLPATSNNPCBDU-OAHLLOKOSA-N 2 0 315.889 2.394 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001200577804 798652870 /nfs/dbraw/zinc/65/28/70/798652870.db2.gz HHSBIWZDXSVTRP-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567668 798706628 /nfs/dbraw/zinc/70/66/28/798706628.db2.gz ISEHLKNTECGSJV-GOSISDBHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201053746 798711326 /nfs/dbraw/zinc/71/13/26/798711326.db2.gz WGPWPIPUVQFYRN-RHSMWYFYSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001201117827 798713609 /nfs/dbraw/zinc/71/36/09/798713609.db2.gz FBPBJFYDIBMFKW-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001201117797 798713899 /nfs/dbraw/zinc/71/38/99/798713899.db2.gz DPOTWHVKEIVHAF-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201321219 798739804 /nfs/dbraw/zinc/73/98/04/798739804.db2.gz ICFOIRVAIAABPE-UHFFFAOYSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCOc1cc(C)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160945753 798767085 /nfs/dbraw/zinc/76/70/85/798767085.db2.gz KGZDYTAKYKTUOA-UHFFFAOYSA-N 2 0 309.373 2.190 20 30 DEEDRP N#Cc1cnc2cc[nH]c(-n3cc(CC[NH3+])c4c[nH+]ccc43)c1-2 ZINC001160950364 798769013 /nfs/dbraw/zinc/76/90/13/798769013.db2.gz LOMCPXKDKLYHQW-UHFFFAOYSA-N 2 0 302.341 2.275 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3ccc(N)cc3C#N)cc[nH+]2)CC1 ZINC001201667191 798780626 /nfs/dbraw/zinc/78/06/26/798780626.db2.gz CKLPNYWWTORYAB-UHFFFAOYSA-N 2 0 308.389 2.031 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3c(C#N)cccc3C#N)cc[nH+]2)CC1 ZINC001201658870 798786163 /nfs/dbraw/zinc/78/61/63/798786163.db2.gz LGTMKOQOQACOFY-UHFFFAOYSA-N 2 0 318.384 2.320 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765875 799017184 /nfs/dbraw/zinc/01/71/84/799017184.db2.gz VDVVYFONNBDLDY-ZACQAIPSSA-N 2 0 317.477 2.303 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncc1C)C2 ZINC001110817194 799043458 /nfs/dbraw/zinc/04/34/58/799043458.db2.gz QYCIUACIXNIKOW-SVGFKBNWSA-N 2 0 316.449 2.268 20 30 DEEDRP 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 799479346 /nfs/dbraw/zinc/47/93/46/799479346.db2.gz KEMCYNMQYUFSSL-QZWWFDLISA-N 2 0 305.466 2.157 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165314131 799703096 /nfs/dbraw/zinc/70/30/96/799703096.db2.gz GPNPJJDSCRYCBI-OAHLLOKOSA-N 2 0 313.461 2.119 20 30 DEEDRP 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 799816954 /nfs/dbraw/zinc/81/69/54/799816954.db2.gz YOXOJCKNKIFXPB-WCXIOVBPSA-N 2 0 307.482 2.260 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793352 799951911 /nfs/dbraw/zinc/95/19/11/799951911.db2.gz KJEMVKIYPVDIOA-INIZCTEOSA-N 2 0 307.482 2.171 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203426395 800045588 /nfs/dbraw/zinc/04/55/88/800045588.db2.gz JPYIKCKIVLORMH-HOTGVXAUSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770390 800120059 /nfs/dbraw/zinc/12/00/59/800120059.db2.gz FPLMAXQLEXSQKI-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203780181 800121452 /nfs/dbraw/zinc/12/14/52/800121452.db2.gz DVWLVUXDBQSBNW-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205457806 800359580 /nfs/dbraw/zinc/35/95/80/800359580.db2.gz QPKVVAUMUQIVHX-GOSISDBHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450530 800723064 /nfs/dbraw/zinc/72/30/64/800723064.db2.gz FBWHTFQVJBWOIW-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1CC[NH2+]CC1)CCO2 ZINC001207436972 800752490 /nfs/dbraw/zinc/75/24/90/800752490.db2.gz MTUWIZODNUJYSD-ZWKOTPCHSA-N 2 0 308.466 2.060 20 30 DEEDRP C[NH+]1CCC(C)(C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC001208105050 800913154 /nfs/dbraw/zinc/91/31/54/800913154.db2.gz RNGKUVXMZVEPTA-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208564780 801013575 /nfs/dbraw/zinc/01/35/75/801013575.db2.gz XLCORHHRKMGLBP-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP CC[NH+]1CCC(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001208600726 801024262 /nfs/dbraw/zinc/02/42/62/801024262.db2.gz URXLAXXYYQTAOH-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208613560 801033922 /nfs/dbraw/zinc/03/39/22/801033922.db2.gz NUDJSIXQJONLDZ-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208749074 801061478 /nfs/dbraw/zinc/06/14/78/801061478.db2.gz OXYUBUFMZGKSOE-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208747846 801061949 /nfs/dbraw/zinc/06/19/49/801061949.db2.gz DDLQPIZHMDXCME-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP COc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1C#N ZINC001210269050 801365428 /nfs/dbraw/zinc/36/54/28/801365428.db2.gz MEOOOIZNYKDVCG-UHFFFAOYSA-N 2 0 309.373 2.115 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230614093 801437374 /nfs/dbraw/zinc/43/73/74/801437374.db2.gz WPUCIOQJCJVNOP-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230618071 801437888 /nfs/dbraw/zinc/43/78/88/801437888.db2.gz JRHDKKYILVFHHT-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210690756 801447880 /nfs/dbraw/zinc/44/78/80/801447880.db2.gz PMBVKEKHNMJRRQ-HNNXBMFYSA-N 2 0 316.449 2.308 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211024971 801500182 /nfs/dbraw/zinc/50/01/82/801500182.db2.gz DMSHJQNVOLVWNK-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214755071 801758359 /nfs/dbraw/zinc/75/83/59/801758359.db2.gz QOCOCEQBGHKGLG-BZUAXINKSA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754630 801758603 /nfs/dbraw/zinc/75/86/03/801758603.db2.gz AQDUYXUJECJYDS-BZUAXINKSA-N 2 0 313.461 2.069 20 30 DEEDRP CC[NH+](CC)CCN1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233079461 802022233 /nfs/dbraw/zinc/02/22/33/802022233.db2.gz DQKBERWTJSXBHX-UHFFFAOYSA-N 2 0 314.477 2.326 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823259 802380557 /nfs/dbraw/zinc/38/05/57/802380557.db2.gz OAVBBJQPLMNDGM-KBPBESRZSA-N 2 0 307.463 2.472 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222087509 802640621 /nfs/dbraw/zinc/64/06/21/802640621.db2.gz NJEKTUYMWIOZHN-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001223194824 802772736 /nfs/dbraw/zinc/77/27/36/802772736.db2.gz SBTHNDWXUNTXOF-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001223202242 802772856 /nfs/dbraw/zinc/77/28/56/802772856.db2.gz BSSSFNOJQZJRFX-SFHVURJKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001223363198 802784860 /nfs/dbraw/zinc/78/48/60/802784860.db2.gz XHGWCBBSIVCOHM-MRXNPFEDSA-N 2 0 313.461 2.071 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489237 802795564 /nfs/dbraw/zinc/79/55/64/802795564.db2.gz KRDIMRBDBNMKPN-SQNIBIBYSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227006 802848870 /nfs/dbraw/zinc/84/88/70/802848870.db2.gz AVXUWDUOVHSSAZ-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001226275602 803081531 /nfs/dbraw/zinc/08/15/31/803081531.db2.gz OSQBYRJVDCLLKR-IAGOWNOFSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226767761 803155378 /nfs/dbraw/zinc/15/53/78/803155378.db2.gz WFUFGGSVYOUEIZ-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001227225109 803217952 /nfs/dbraw/zinc/21/79/52/803217952.db2.gz KOTQPAWVZTVHHZ-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001227381535 803236022 /nfs/dbraw/zinc/23/60/22/803236022.db2.gz VODPUXDFZJFPJA-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCCC1 ZINC001419319063 1168396800 /nfs/dbraw/zinc/39/68/00/1168396800.db2.gz VXDNPEFJKQQMLW-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C(C)(C)C1 ZINC001328099550 1148720974 /nfs/dbraw/zinc/72/09/74/1148720974.db2.gz WDRPUCWAJIJTIA-MRXNPFEDSA-N 2 0 318.465 2.444 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001331644926 1149572242 /nfs/dbraw/zinc/57/22/42/1149572242.db2.gz RTTKFFDLAGOPEO-HNNXBMFYSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001328738793 1148830258 /nfs/dbraw/zinc/83/02/58/1148830258.db2.gz YPUNORFEGSTSDP-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001501665983 1059618428 /nfs/dbraw/zinc/61/84/28/1059618428.db2.gz XUZDRPHTSVRGKB-UHFFFAOYSA-N 2 0 315.461 2.262 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001502004626 1059858509 /nfs/dbraw/zinc/85/85/09/1059858509.db2.gz AFAUZZZDRWGQCK-MRXNPFEDSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001502406875 1060117255 /nfs/dbraw/zinc/11/72/55/1060117255.db2.gz VOAITMARXMPEOZ-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001502546613 1060173615 /nfs/dbraw/zinc/17/36/15/1060173615.db2.gz UVKCQHYTXTXCPM-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001503024116 1060426485 /nfs/dbraw/zinc/42/64/85/1060426485.db2.gz SUCYLLXAKUZWIU-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001503764967 1060469068 /nfs/dbraw/zinc/46/90/68/1060469068.db2.gz YQBXTWNBPWDCBI-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001479688054 1061599091 /nfs/dbraw/zinc/59/90/91/1061599091.db2.gz OMKOBBGPRGUHGA-FGTMMUONSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001479694178 1061609701 /nfs/dbraw/zinc/60/97/01/1061609701.db2.gz MUXWGOFPJYKQAQ-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480255140 1062538667 /nfs/dbraw/zinc/53/86/67/1062538667.db2.gz QGTVEOFPDCPNRW-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001507032948 1062700751 /nfs/dbraw/zinc/70/07/51/1062700751.db2.gz LGUJQWWVVYEJFO-GOSISDBHSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480381524 1062758743 /nfs/dbraw/zinc/75/87/43/1062758743.db2.gz CTPPQZKNBMKCAO-IAGOWNOFSA-N 2 0 321.509 2.204 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507315585 1063081307 /nfs/dbraw/zinc/08/13/07/1063081307.db2.gz AXTFVKSDGNXQGX-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507315574 1063083335 /nfs/dbraw/zinc/08/33/35/1063083335.db2.gz AXTFVKSDGNXQGX-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001507339605 1063121710 /nfs/dbraw/zinc/12/17/10/1063121710.db2.gz ODVHSNZYMYNGSY-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001480669102 1063164081 /nfs/dbraw/zinc/16/40/81/1063164081.db2.gz APOPALCIRHJFGP-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480738528 1063269675 /nfs/dbraw/zinc/26/96/75/1063269675.db2.gz GJOKZNPEJNPFBF-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480833874 1063424878 /nfs/dbraw/zinc/42/48/78/1063424878.db2.gz ZFXLMIHFLWAQFS-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C#CC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001508216274 1063614948 /nfs/dbraw/zinc/61/49/48/1063614948.db2.gz SFCRZNBJWMSYLM-UHFFFAOYSA-N 2 0 317.477 2.023 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001567409685 1064186861 /nfs/dbraw/zinc/18/68/61/1064186861.db2.gz MKCVURTVJKXWOZ-INIZCTEOSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567729501 1064381053 /nfs/dbraw/zinc/38/10/53/1064381053.db2.gz IGGDNRUTPCGXOG-CVEARBPZSA-N 2 0 313.461 2.023 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567942161 1064548520 /nfs/dbraw/zinc/54/85/20/1064548520.db2.gz LFMZYVXYXAZWGQ-IAGOWNOFSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001568011145 1064593663 /nfs/dbraw/zinc/59/36/63/1064593663.db2.gz CSRKLMHZRUJTTA-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001568117768 1064655652 /nfs/dbraw/zinc/65/56/52/1064655652.db2.gz WLDUOAPRUZMGBG-OAHLLOKOSA-N 2 0 309.841 2.177 20 30 DEEDRP C#CC[NH+]1CCC(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001568132311 1064663786 /nfs/dbraw/zinc/66/37/86/1064663786.db2.gz WZKCGCXIWDYADI-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001568139420 1064666870 /nfs/dbraw/zinc/66/68/70/1064666870.db2.gz YOZWRBIHXGTUSD-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001568499872 1064916209 /nfs/dbraw/zinc/91/62/09/1064916209.db2.gz VIFXEXCQIIUCNC-UHFFFAOYSA-N 2 0 303.450 2.328 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001495938274 1065184510 /nfs/dbraw/zinc/18/45/10/1065184510.db2.gz AOQQGXYWRXNYTH-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCCC1 ZINC001496312537 1065400573 /nfs/dbraw/zinc/40/05/73/1065400573.db2.gz QWRTUVAILARGFA-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001496326749 1065409483 /nfs/dbraw/zinc/40/94/83/1065409483.db2.gz OTUQPSKNXIZKIY-FUHWJXTLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386854 1065484289 /nfs/dbraw/zinc/48/42/89/1065484289.db2.gz WZDXBBSGTCDAPE-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001569437036 1065506306 /nfs/dbraw/zinc/50/63/06/1065506306.db2.gz OUOJPGIEQJCARB-GOSISDBHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001569466810 1065523318 /nfs/dbraw/zinc/52/33/18/1065523318.db2.gz FYZRUPXMMFRSEZ-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001569576373 1065603903 /nfs/dbraw/zinc/60/39/03/1065603903.db2.gz OBYOLXORQPQSIU-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001569695198 1065677194 /nfs/dbraw/zinc/67/71/94/1065677194.db2.gz HVTNNVGWIWJBCF-IBGZPJMESA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001569702149 1065680191 /nfs/dbraw/zinc/68/01/91/1065680191.db2.gz QGEJCJZKMRTJAU-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001496906109 1065793841 /nfs/dbraw/zinc/79/38/41/1065793841.db2.gz BJTMKJDIAYZLDF-ZWKOTPCHSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001626564378 1078257711 /nfs/dbraw/zinc/25/77/11/1078257711.db2.gz SPLQHPGHIINZCU-UHFFFAOYSA-N 2 0 315.461 2.133 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001570200897 1065972317 /nfs/dbraw/zinc/97/23/17/1065972317.db2.gz KWOGJGCXIMJZOJ-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484346471 1079547400 /nfs/dbraw/zinc/54/74/00/1079547400.db2.gz ZETUELGSVRCEND-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001570381136 1066041221 /nfs/dbraw/zinc/04/12/21/1066041221.db2.gz XGNSXWBCUUGMLU-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001497818081 1066345575 /nfs/dbraw/zinc/34/55/75/1066345575.db2.gz ZRAXHAOWNPKORP-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309158 1148520529 /nfs/dbraw/zinc/52/05/29/1148520529.db2.gz UJFMJVWMICSRDM-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001632827271 1078391876 /nfs/dbraw/zinc/39/18/76/1078391876.db2.gz VMICTVKHAZQITK-WMZOPIPTSA-N 2 0 315.461 2.131 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001498904462 1066949406 /nfs/dbraw/zinc/94/94/06/1066949406.db2.gz UPQBCNDVFLTUIP-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001499382670 1067202422 /nfs/dbraw/zinc/20/24/22/1067202422.db2.gz ATYKQTBSSYOFJA-UHFFFAOYSA-N 2 0 301.434 2.176 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001499496178 1067237963 /nfs/dbraw/zinc/23/79/63/1067237963.db2.gz SLYMXKNQTDTZAG-ALOPSCKCSA-N 2 0 305.466 2.160 20 30 DEEDRP N#Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1F ZINC001580060897 1067486210 /nfs/dbraw/zinc/48/62/10/1067486210.db2.gz FQZZCGOXSHSLRC-SJORKVTESA-N 2 0 303.381 2.026 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001483445524 1078538256 /nfs/dbraw/zinc/53/82/56/1078538256.db2.gz ZHBXULFUEJUOJG-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001279585850 1078614466 /nfs/dbraw/zinc/61/44/66/1078614466.db2.gz DJFDENMWNCQRLS-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001570544596 1067997281 /nfs/dbraw/zinc/99/72/81/1067997281.db2.gz ZJVWWDNSDRLZDX-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001570564323 1068009080 /nfs/dbraw/zinc/00/90/80/1068009080.db2.gz VPVVPRHDUGKFBO-HTWSVDAQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001571518468 1068381999 /nfs/dbraw/zinc/38/19/99/1068381999.db2.gz FVUZYVQCDNMMSD-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001571534892 1068402596 /nfs/dbraw/zinc/40/25/96/1068402596.db2.gz USPYMALPHFPTOM-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001571645509 1068457417 /nfs/dbraw/zinc/45/74/17/1068457417.db2.gz ISLQNPRUPAUSHA-AEFFLSMTSA-N 2 0 321.509 2.347 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCCCC)C2)CC1 ZINC001571665942 1068469036 /nfs/dbraw/zinc/46/90/36/1068469036.db2.gz QKFPNQWQUUHHOJ-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001267350383 1078785424 /nfs/dbraw/zinc/78/54/24/1078785424.db2.gz DISMUUGSUYEWLM-DLBZAZTESA-N 2 0 301.434 2.104 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001670871841 1078838368 /nfs/dbraw/zinc/83/83/68/1078838368.db2.gz HUSOQSVLMSLBGP-JKSUJKDBSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267460071 1078867400 /nfs/dbraw/zinc/86/74/00/1078867400.db2.gz RBPMACDQKOAGPB-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267459765 1078867537 /nfs/dbraw/zinc/86/75/37/1078867537.db2.gz MPORELOMBTVAGA-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001272440340 1078877031 /nfs/dbraw/zinc/87/70/31/1078877031.db2.gz LDEJCSCCUWBAIC-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267560197 1078992389 /nfs/dbraw/zinc/99/23/89/1078992389.db2.gz HUQNKXSHMGRYBO-MRXNPFEDSA-N 2 0 324.428 2.108 20 30 DEEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001329342363 1148886246 /nfs/dbraw/zinc/88/62/46/1148886246.db2.gz XKIXZELOGAGCFF-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481098605 1079181171 /nfs/dbraw/zinc/18/11/71/1079181171.db2.gz CUIZCRKUUYCQKJ-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484011944 1079240902 /nfs/dbraw/zinc/24/09/02/1079240902.db2.gz NPDSHGQEXXMFAT-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001484137727 1079318426 /nfs/dbraw/zinc/31/84/26/1079318426.db2.gz VCHYHAUOAQUWOY-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001566609949 1075296609 /nfs/dbraw/zinc/29/66/09/1075296609.db2.gz SZABIGRIQQNIFM-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566625476 1075299855 /nfs/dbraw/zinc/29/98/55/1075299855.db2.gz JWJLQNBIAPAZPV-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267689279 1079376286 /nfs/dbraw/zinc/37/62/86/1079376286.db2.gz CWCDEWVDNNEQHD-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682261 1075316368 /nfs/dbraw/zinc/31/63/68/1075316368.db2.gz SYNGYPDAUBFNRP-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566795128 1075346868 /nfs/dbraw/zinc/34/68/68/1075346868.db2.gz QOTLFOFZHQMPJV-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001566806450 1075349779 /nfs/dbraw/zinc/34/97/79/1075349779.db2.gz KOLYJTSTZXPZBN-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001566906568 1075380342 /nfs/dbraw/zinc/38/03/42/1075380342.db2.gz LCOCXVKGALUABX-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001566913238 1075383522 /nfs/dbraw/zinc/38/35/22/1075383522.db2.gz NTFWAFUSMXUAGG-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001566992376 1075410363 /nfs/dbraw/zinc/41/03/63/1075410363.db2.gz UMKVLBKCKGKKNN-ABHNRTSZSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567128342 1075438019 /nfs/dbraw/zinc/43/80/19/1075438019.db2.gz NYVZDNKHSXNGPL-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001567263686 1075480749 /nfs/dbraw/zinc/48/07/49/1075480749.db2.gz ZLVOCIBIZSPWEC-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267758993 1079461582 /nfs/dbraw/zinc/46/15/82/1079461582.db2.gz VAEOXJSYUOQWEW-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339645 1079549933 /nfs/dbraw/zinc/54/99/33/1079549933.db2.gz YXEQGVCJCSSUFM-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267932947 1079615049 /nfs/dbraw/zinc/61/50/49/1079615049.db2.gz XHCVSUWHFOGKQQ-YYIAUSFCSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001267938404 1079619838 /nfs/dbraw/zinc/61/98/38/1079619838.db2.gz VQPZPPCGFZMJOI-SFHVURJKSA-N 2 0 315.461 2.453 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267960167 1079640522 /nfs/dbraw/zinc/64/05/22/1079640522.db2.gz AEORCQIBMHXQDU-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267961845 1079641888 /nfs/dbraw/zinc/64/18/88/1079641888.db2.gz RTJFVJYNPSGCTM-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001267969624 1079649652 /nfs/dbraw/zinc/64/96/52/1079649652.db2.gz JZWVQCKKDBEKNH-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267971245 1079651466 /nfs/dbraw/zinc/65/14/66/1079651466.db2.gz RIUYWDYBOQVAQF-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001267974263 1079657039 /nfs/dbraw/zinc/65/70/39/1079657039.db2.gz RSOFFMALPGUEGP-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001268044395 1079925097 /nfs/dbraw/zinc/92/50/97/1079925097.db2.gz AIAFSACSKSCLAR-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001481487529 1079944612 /nfs/dbraw/zinc/94/46/12/1079944612.db2.gz DQQQLEUQGGGOJE-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001268046922 1079945999 /nfs/dbraw/zinc/94/59/99/1079945999.db2.gz PCSSOVMQGTYRGL-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001481518032 1079987645 /nfs/dbraw/zinc/98/76/45/1079987645.db2.gz DXVYMGKZJUPYCG-SFHVURJKSA-N 2 0 321.509 2.301 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001656077842 1080034801 /nfs/dbraw/zinc/03/48/01/1080034801.db2.gz OLIVOQQKUTYRDT-KRWDZBQOSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001485237713 1080084193 /nfs/dbraw/zinc/08/41/93/1080084193.db2.gz UKZBEODZSMCNHF-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1C ZINC001268138021 1080105453 /nfs/dbraw/zinc/10/54/53/1080105453.db2.gz OSHZCOLPMIBYPA-ROUUACIJSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001656630693 1080108374 /nfs/dbraw/zinc/10/83/74/1080108374.db2.gz KKTTUKVIPQMRFL-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001656888918 1080134892 /nfs/dbraw/zinc/13/48/92/1080134892.db2.gz AUFYMXGQZKXZIY-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[C@@H](CCOC)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001658656986 1080214728 /nfs/dbraw/zinc/21/47/28/1080214728.db2.gz UPTCRSWURMYCAB-AOCRQIFASA-N 2 0 308.466 2.038 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481647929 1080234729 /nfs/dbraw/zinc/23/47/29/1080234729.db2.gz JZOLXUXXSPVCEO-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481708165 1080335108 /nfs/dbraw/zinc/33/51/08/1080335108.db2.gz IXNWWOIGAFKSEY-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001485666584 1080355758 /nfs/dbraw/zinc/35/57/58/1080355758.db2.gz POIVYJVQFVUYSW-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485743489 1080403369 /nfs/dbraw/zinc/40/33/69/1080403369.db2.gz FEDGUASIGJAPDP-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001661216133 1080457431 /nfs/dbraw/zinc/45/74/31/1080457431.db2.gz KBTSNAONMAUWAC-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001662219145 1080584886 /nfs/dbraw/zinc/58/48/86/1080584886.db2.gz CADUXNOVERIFPI-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481957884 1080644452 /nfs/dbraw/zinc/64/44/52/1080644452.db2.gz KTGDPRMQBHDUFC-QFBILLFUSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481957886 1080644634 /nfs/dbraw/zinc/64/46/34/1080644634.db2.gz KTGDPRMQBHDUFC-VQIMIIECSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001482021879 1080696170 /nfs/dbraw/zinc/69/61/70/1080696170.db2.gz LMJZOWKMHRFJAZ-BZSNNMDCSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[N@H+](CC)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001663407094 1080742369 /nfs/dbraw/zinc/74/23/69/1080742369.db2.gz OESSCSGRHHYPBI-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001664467141 1080913514 /nfs/dbraw/zinc/91/35/14/1080913514.db2.gz FUCLLZWURDFWRG-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001664552812 1080925240 /nfs/dbraw/zinc/92/52/40/1080925240.db2.gz FEJSZGIMRHFXTB-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269151874 1081140481 /nfs/dbraw/zinc/14/04/81/1081140481.db2.gz YLLNTWHXLQFSJO-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001666333609 1081144618 /nfs/dbraw/zinc/14/46/18/1081144618.db2.gz YQDLEGASMXDJHP-GOSISDBHSA-N 2 0 315.461 2.453 20 30 DEEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001667063664 1081207275 /nfs/dbraw/zinc/20/72/75/1081207275.db2.gz NMGMJJFKPRXZSX-HNNXBMFYSA-N 2 0 319.449 2.195 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269760305 1081358684 /nfs/dbraw/zinc/35/86/84/1081358684.db2.gz IYXDJVDRFFAIRC-OAHLLOKOSA-N 2 0 315.889 2.299 20 30 DEEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001668994908 1081416704 /nfs/dbraw/zinc/41/67/04/1081416704.db2.gz CUMKIFNLEIRDFT-ZEVQVBBLSA-N 2 0 317.477 2.069 20 30 DEEDRP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001270087979 1081446938 /nfs/dbraw/zinc/44/69/38/1081446938.db2.gz HDBUJYIUJVJKRY-SFHVURJKSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001280163755 1081451178 /nfs/dbraw/zinc/45/11/78/1081451178.db2.gz KUEFRICRHUAWMP-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001270403793 1081519209 /nfs/dbraw/zinc/51/92/09/1081519209.db2.gz MIHMATNYLYLWMO-MSOLQXFVSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001671503959 1081520258 /nfs/dbraw/zinc/52/02/58/1081520258.db2.gz IXSBSMHICDWXRO-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[N@H+]1CC[C@](C)(NC(=O)CCCn2ccnc2)C1 ZINC001671698067 1081534649 /nfs/dbraw/zinc/53/46/49/1081534649.db2.gz AGVPLOUJJQGUOE-KRWDZBQOSA-N 2 0 304.438 2.210 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001671775826 1081538303 /nfs/dbraw/zinc/53/83/03/1081538303.db2.gz XPZUYTYQWCYAAG-XYJFISCASA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001672242037 1081571650 /nfs/dbraw/zinc/57/16/50/1081571650.db2.gz ZGIBQVBUDLCTOA-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001672880464 1081716682 /nfs/dbraw/zinc/71/66/82/1081716682.db2.gz VGOSLHIAAMEOBL-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCCC)CCC2)CC1 ZINC001673242239 1081748584 /nfs/dbraw/zinc/74/85/84/1081748584.db2.gz URVBNVRRGKFMQE-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001279136860 1081769782 /nfs/dbraw/zinc/76/97/82/1081769782.db2.gz NPJZSHTVVQACOP-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001674480268 1081879118 /nfs/dbraw/zinc/87/91/18/1081879118.db2.gz FOWCPLBPMGAHQN-IRXDYDNUSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001674505505 1081883583 /nfs/dbraw/zinc/88/35/83/1081883583.db2.gz OLEAHAATSHSXIC-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674685912 1081904933 /nfs/dbraw/zinc/90/49/33/1081904933.db2.gz BJQNNUOYFDGNJX-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266373808 1082005832 /nfs/dbraw/zinc/00/58/32/1082005832.db2.gz LXHHJCJVDDERGN-QGZVFWFLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001266489124 1082070506 /nfs/dbraw/zinc/07/05/06/1082070506.db2.gz XCTUDJODCIJHIG-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001271560812 1082081481 /nfs/dbraw/zinc/08/14/81/1082081481.db2.gz MKFHPFCPPYLUKV-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001266599938 1082186047 /nfs/dbraw/zinc/18/60/47/1082186047.db2.gz CPWSWPQOQMPGRJ-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001482686409 1082483516 /nfs/dbraw/zinc/48/35/16/1082483516.db2.gz JVCWYDQOJGZLGX-HOTGVXAUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001276644207 1083529933 /nfs/dbraw/zinc/52/99/33/1083529933.db2.gz ZSCSBWMHMIJREP-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCCC[NH2+]C12CC(C(=O)N3CCC([NH+](C)C)CC3)(C1)C2 ZINC001276885089 1083663167 /nfs/dbraw/zinc/66/31/67/1083663167.db2.gz DCIZGXZXHCPOKG-UHFFFAOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001277345102 1083918573 /nfs/dbraw/zinc/91/85/73/1083918573.db2.gz FYLJKAPEIIZIQK-IXDOHACOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277473665 1083991232 /nfs/dbraw/zinc/99/12/32/1083991232.db2.gz HTRGUHUXRHVJOY-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491080816 1084053924 /nfs/dbraw/zinc/05/39/24/1084053924.db2.gz STDCONGCUMZWHB-YESZJQIVSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001491370268 1084259905 /nfs/dbraw/zinc/25/99/05/1084259905.db2.gz NFPJNJWNUDRVDK-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001491505049 1084355613 /nfs/dbraw/zinc/35/56/13/1084355613.db2.gz UDFLVJPJHCNRCK-CYBMUJFWSA-N 2 0 300.406 2.317 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235334145 1084392191 /nfs/dbraw/zinc/39/21/91/1084392191.db2.gz HETXVTBJULRXQY-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001078664023 1084798869 /nfs/dbraw/zinc/79/88/69/1084798869.db2.gz XPEHVVYHSDXIDA-SJORKVTESA-N 2 0 324.428 2.459 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001486137998 1085083238 /nfs/dbraw/zinc/08/32/38/1085083238.db2.gz WMWJNWUMARINOA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486409481 1085279616 /nfs/dbraw/zinc/27/96/16/1085279616.db2.gz HQKBPKIUFUTPTO-OAHLLOKOSA-N 2 0 309.498 2.108 20 30 DEEDRP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001486444235 1085315608 /nfs/dbraw/zinc/31/56/08/1085315608.db2.gz TWIXKDLLROTBQC-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001486449832 1085320560 /nfs/dbraw/zinc/32/05/60/1085320560.db2.gz RQFQIIQAGPSCSC-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000964693001 1085380740 /nfs/dbraw/zinc/38/07/40/1085380740.db2.gz WJFLGTBVUNTAAC-XLWKGDHDSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960709921 1085423447 /nfs/dbraw/zinc/42/34/47/1085423447.db2.gz FBTSMWJFIJDVMT-PIIMJCKOSA-N 2 0 324.428 2.269 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961216956 1085640144 /nfs/dbraw/zinc/64/01/44/1085640144.db2.gz BPMNSNIXNKUAFZ-QZTJIDSGSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000963801545 1086562498 /nfs/dbraw/zinc/56/24/98/1086562498.db2.gz VXSWYVJDXKTRNH-UHFFFAOYSA-N 2 0 319.493 2.454 20 30 DEEDRP 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 1089027332 /nfs/dbraw/zinc/02/73/32/1089027332.db2.gz KLZMGOJWHIOXBY-CBZIJGRNSA-N 2 0 321.509 2.365 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938733 1090531038 /nfs/dbraw/zinc/53/10/38/1090531038.db2.gz COBZTGRLDLQVII-SQNIBIBYSA-N 2 0 319.493 2.358 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001274228069 1091132094 /nfs/dbraw/zinc/13/20/94/1091132094.db2.gz FGLIGMZCDKNOLL-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274369468 1091210537 /nfs/dbraw/zinc/21/05/37/1091210537.db2.gz QMNDMMPBUACVBW-ZPUOCTKUSA-N 2 0 311.445 2.037 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001275114728 1091564746 /nfs/dbraw/zinc/56/47/46/1091564746.db2.gz KQUDPIVVTWAFLS-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)C ZINC001275116307 1091565285 /nfs/dbraw/zinc/56/52/85/1091565285.db2.gz VXEZSXNZJRBXMK-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001275491827 1091801827 /nfs/dbraw/zinc/80/18/27/1091801827.db2.gz JYBSBMYLSUOKIE-GJZGRUSLSA-N 2 0 303.450 2.073 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001275793430 1092135488 /nfs/dbraw/zinc/13/54/88/1092135488.db2.gz OVCWFCVFRSLLOX-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001275888149 1092275263 /nfs/dbraw/zinc/27/52/63/1092275263.db2.gz VBNFMMWWMREQEU-INIZCTEOSA-N 2 0 317.477 2.417 20 30 DEEDRP C#CCCC[NH+]1CCC2(CCC[N@@H+](COCCOC)C2)CC1 ZINC001275976012 1092421101 /nfs/dbraw/zinc/42/11/01/1092421101.db2.gz WCNOVAJKJVHUGT-UHFFFAOYSA-N 2 0 308.466 2.198 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001274124487 1093810775 /nfs/dbraw/zinc/81/07/75/1093810775.db2.gz HBYUPTAPJGNWCQ-ONEGZZNKSA-N 2 0 305.466 2.091 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752956402 1138306283 /nfs/dbraw/zinc/30/62/83/1138306283.db2.gz MMTLEUQWLCVNJO-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236320700 1138351521 /nfs/dbraw/zinc/35/15/21/1138351521.db2.gz BCZMFZCIMJVWHK-HDICACEKSA-N 2 0 312.461 2.468 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001278007992 1138419234 /nfs/dbraw/zinc/41/92/34/1138419234.db2.gz ZEKDPNSJNGAKKG-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001278253611 1138859542 /nfs/dbraw/zinc/85/95/42/1138859542.db2.gz XFBZFUJFOPBNCM-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP N#Cc1cc(-c2ccccc2N2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001240357085 1139346416 /nfs/dbraw/zinc/34/64/16/1139346416.db2.gz ZYDNLYJNHLDRDM-UHFFFAOYSA-N 2 0 318.424 2.322 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001316668491 1140295466 /nfs/dbraw/zinc/29/54/66/1140295466.db2.gz IDXILUHHLKEJND-QGZVFWFLSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001318474053 1140343236 /nfs/dbraw/zinc/34/32/36/1140343236.db2.gz RBNXZOLUPNLNIN-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318782884 1140414737 /nfs/dbraw/zinc/41/47/37/1140414737.db2.gz ZHNXSWIJHZSIKA-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001318930857 1140469707 /nfs/dbraw/zinc/46/97/07/1140469707.db2.gz IJUMVFKZLMPNPM-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(C)C)CC(C)C)CC1 ZINC001319642317 1140634327 /nfs/dbraw/zinc/63/43/27/1140634327.db2.gz HDQCGNAKJPQKOY-GOSISDBHSA-N 2 0 321.509 2.108 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245980006 1140840622 /nfs/dbraw/zinc/84/06/22/1140840622.db2.gz YXCRLZXIMPMHBZ-XLAORIBOSA-N 2 0 312.498 2.312 20 30 DEEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)C1 ZINC001246550207 1140953372 /nfs/dbraw/zinc/95/33/72/1140953372.db2.gz MGRMNWHIRBEMGG-XYJFISCASA-N 2 0 321.465 2.237 20 30 DEEDRP C=CCO[C@@H]1CC[NH+]([C@H](C)CC[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320899693 1140979896 /nfs/dbraw/zinc/97/98/96/1140979896.db2.gz VDQFGWBAGHPHFF-KZNAEPCWSA-N 2 0 308.466 2.319 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001323642351 1141873147 /nfs/dbraw/zinc/87/31/47/1141873147.db2.gz MGRBFFKOKDPHAU-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001323695895 1141877952 /nfs/dbraw/zinc/87/79/52/1141877952.db2.gz JZLFXHVADNGMCI-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001323873525 1141895208 /nfs/dbraw/zinc/89/52/08/1141895208.db2.gz PEXVNAGHWISDNO-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278550619 1142078951 /nfs/dbraw/zinc/07/89/51/1142078951.db2.gz VTMQOKMEAOGMEL-SJLPKXTDSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCCCCC[C@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001253227390 1142855941 /nfs/dbraw/zinc/85/59/41/1142855941.db2.gz IERPWVBNPHHJPH-SFHVURJKSA-N 2 0 311.514 2.053 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001341716557 1143677847 /nfs/dbraw/zinc/67/78/47/1143677847.db2.gz HXSKQSXGVZABJC-MSOLQXFVSA-N 2 0 315.461 2.403 20 30 DEEDRP N#Cc1ccc(C(=[NH2+])NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC001256580060 1143855073 /nfs/dbraw/zinc/85/50/73/1143855073.db2.gz JISJLISJUNZJKU-UHFFFAOYSA-N 2 0 319.412 2.323 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001278963067 1143866422 /nfs/dbraw/zinc/86/64/22/1143866422.db2.gz WHLYRHWQKWFQOT-JKSUJKDBSA-N 2 0 307.482 2.003 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001278977515 1143875929 /nfs/dbraw/zinc/87/59/29/1143875929.db2.gz CBTNSGRVZMLXEZ-HNNXBMFYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001279038025 1143950295 /nfs/dbraw/zinc/95/02/95/1143950295.db2.gz DBJXSZQWDUYGTI-YJBOKZPZSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279047324 1143954041 /nfs/dbraw/zinc/95/40/41/1143954041.db2.gz WFSDUQLTRQRSPI-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP COC(=O)C1CCC(N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001257861409 1143956428 /nfs/dbraw/zinc/95/64/28/1143956428.db2.gz YNIXXYATCFRCBF-UHFFFAOYSA-N 2 0 317.433 2.385 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC001263095642 1144354993 /nfs/dbraw/zinc/35/49/93/1144354993.db2.gz SHABTJIPSAPBFI-BRWVUGGUSA-N 2 0 307.482 2.189 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001263820677 1144400603 /nfs/dbraw/zinc/40/06/03/1144400603.db2.gz DWFLZTPNSIATFH-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001264682129 1144592473 /nfs/dbraw/zinc/59/24/73/1144592473.db2.gz QNWUVMIFKGNHTM-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264751833 1144606622 /nfs/dbraw/zinc/60/66/22/1144606622.db2.gz POJVWLCHQKMHHO-SJORKVTESA-N 2 0 321.509 2.203 20 30 DEEDRP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265114713 1144648257 /nfs/dbraw/zinc/64/82/57/1144648257.db2.gz LTTATLPHUADGCI-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265286069 1144683523 /nfs/dbraw/zinc/68/35/23/1144683523.db2.gz MYVKDAGKDVSFTD-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265399170 1144702353 /nfs/dbraw/zinc/70/23/53/1144702353.db2.gz QHVBBTXABODRMQ-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001265880503 1144750415 /nfs/dbraw/zinc/75/04/15/1144750415.db2.gz KOPMNFDZGYQQKP-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116927 1144807296 /nfs/dbraw/zinc/80/72/96/1144807296.db2.gz OXABMKFHFMSOBZ-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001266192570 1144812853 /nfs/dbraw/zinc/81/28/53/1144812853.db2.gz YIMHRVUCEQPGIP-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001281499235 1144893436 /nfs/dbraw/zinc/89/34/36/1144893436.db2.gz YPVLSRIUJNBVPI-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001282558123 1145086732 /nfs/dbraw/zinc/08/67/32/1145086732.db2.gz MQQNTBQTGCGXHC-MSOLQXFVSA-N 2 0 321.509 2.347 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(F)ccc1C#N ZINC001364544768 1145330114 /nfs/dbraw/zinc/33/01/14/1145330114.db2.gz STICFKZEEGCKIP-UHFFFAOYSA-N 2 0 306.429 2.407 20 30 DEEDRP C#CC[NH2+][C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001283462787 1145445637 /nfs/dbraw/zinc/44/56/37/1145445637.db2.gz JJQQTVOZEGZNHZ-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001284587847 1145875091 /nfs/dbraw/zinc/87/50/91/1145875091.db2.gz CAEXUPSWFXTHCT-OAHLLOKOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001316641025 1146314558 /nfs/dbraw/zinc/31/45/58/1146314558.db2.gz GUIMMRFSJGXEKY-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001492164980 1147109565 /nfs/dbraw/zinc/10/95/65/1147109565.db2.gz KNTFLJDXYSPPFZ-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317205025 1147275274 /nfs/dbraw/zinc/27/52/74/1147275274.db2.gz OTKLNPDYFPJMNU-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001366460804 1147294553 /nfs/dbraw/zinc/29/45/53/1147294553.db2.gz MSKRZOHCQLVIRX-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317042789 1147580989 /nfs/dbraw/zinc/58/09/89/1147580989.db2.gz GQVHRVLKVOHGIC-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317045502 1147652409 /nfs/dbraw/zinc/65/24/09/1147652409.db2.gz QXWGCWLTBLULRD-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001367211090 1147664776 /nfs/dbraw/zinc/66/47/76/1147664776.db2.gz WORKVCKFQYSDGG-MRXNPFEDSA-N 2 0 323.868 2.485 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317139873 1147665575 /nfs/dbraw/zinc/66/55/75/1147665575.db2.gz LQPKWOVYJDZOSW-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001367227016 1147666275 /nfs/dbraw/zinc/66/62/75/1147666275.db2.gz FTDXBOQEKWDQJU-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001317171435 1147670392 /nfs/dbraw/zinc/67/03/92/1147670392.db2.gz AVHNEQTYBRWIFP-JKSUJKDBSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001367277304 1147673043 /nfs/dbraw/zinc/67/30/43/1147673043.db2.gz OWGBIRBQMIJNRE-DZGCQCFKSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001317206976 1147676840 /nfs/dbraw/zinc/67/68/40/1147676840.db2.gz HTAGOVRDCGDNIU-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001317221411 1147679080 /nfs/dbraw/zinc/67/90/80/1147679080.db2.gz JOTJPPXQEZYEAF-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317313111 1147689559 /nfs/dbraw/zinc/68/95/59/1147689559.db2.gz NPSJKUBPFFUAPT-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317427098 1147705788 /nfs/dbraw/zinc/70/57/88/1147705788.db2.gz LZDKKEWOUADLCO-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317534309 1147721865 /nfs/dbraw/zinc/72/18/65/1147721865.db2.gz ARVCCRJOMDZVJN-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001317723399 1147747324 /nfs/dbraw/zinc/74/73/24/1147747324.db2.gz GNHOHVSAXHGBFG-WMZOPIPTSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001317862092 1147758658 /nfs/dbraw/zinc/75/86/58/1147758658.db2.gz GMCLROWOVRZVQC-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317862096 1147759052 /nfs/dbraw/zinc/75/90/52/1147759052.db2.gz GMCLROWOVRZVQC-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001318129367 1147779347 /nfs/dbraw/zinc/77/93/47/1147779347.db2.gz OJKJMZKCDCVOMF-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1CC ZINC001325367470 1147897018 /nfs/dbraw/zinc/89/70/18/1147897018.db2.gz VKEMBABQEMLPNO-SFHVURJKSA-N 2 0 315.461 2.278 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325428826 1147907672 /nfs/dbraw/zinc/90/76/72/1147907672.db2.gz NKAWAVAFFURAFT-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001325437461 1147909797 /nfs/dbraw/zinc/90/97/97/1147909797.db2.gz LPACNZMCGWXVON-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325897218 1148015674 /nfs/dbraw/zinc/01/56/74/1148015674.db2.gz JQUIZCJRHYMEGV-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001326379437 1148088272 /nfs/dbraw/zinc/08/82/72/1148088272.db2.gz HCUVUGBJOWHITD-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000264068329 529803181 /nfs/dbraw/zinc/80/31/81/529803181.db2.gz CEEWSRMYLWZQQJ-SNVBAGLBSA-N 2 0 316.327 2.264 20 30 DEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083033527 355462249 /nfs/dbraw/zinc/46/22/49/355462249.db2.gz YWGADFHHKXBXFE-GOEBONIOSA-N 2 0 316.449 2.146 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000417057733 540164656 /nfs/dbraw/zinc/16/46/56/540164656.db2.gz CRUJRDFOQBPFGR-IXDOHACOSA-N 2 0 322.497 2.254 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)nc1 ZINC000591570802 357736644 /nfs/dbraw/zinc/73/66/44/357736644.db2.gz PNGSHMUEUBTJHF-SJORKVTESA-N 2 0 313.449 2.172 20 30 DEEDRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCCCCC1 ZINC000594446407 358273908 /nfs/dbraw/zinc/27/39/08/358273908.db2.gz SQONOXQIRFDKKP-HNNXBMFYSA-N 2 0 308.470 2.168 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000594581095 358296960 /nfs/dbraw/zinc/29/69/60/358296960.db2.gz NMHSWKPVCSIZEF-PKOBYXMFSA-N 2 0 312.461 2.382 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc(C#N)cc1 ZINC000595388249 358437337 /nfs/dbraw/zinc/43/73/37/358437337.db2.gz DLDIUDQMTCHEKL-QYZOEREBSA-N 2 0 313.445 2.284 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)C(C)C ZINC000669385695 540823300 /nfs/dbraw/zinc/82/33/00/540823300.db2.gz HHMHMORHGLWDIX-IRXDYDNUSA-N 2 0 322.497 2.126 20 30 DEEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000271908214 209314991 /nfs/dbraw/zinc/31/49/91/209314991.db2.gz XFWZYIVHFSQCRH-CRAIPNDOSA-N 2 0 301.434 2.446 20 30 DEEDRP N#Cc1ccc(NC(=O)CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000362867463 133256043 /nfs/dbraw/zinc/25/60/43/133256043.db2.gz YGRNEHFKCKVFLS-AWEZNQCLSA-N 2 0 309.373 2.099 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[NH3+])C2)c(F)c1 ZINC000566090917 292204415 /nfs/dbraw/zinc/20/44/15/292204415.db2.gz IVUAPPSKFXEBTO-NUEKZKHPSA-N 2 0 302.397 2.136 20 30 DEEDRP CCC[NH+]1CCC(N(C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000111240664 401702760 /nfs/dbraw/zinc/70/27/60/401702760.db2.gz UWLNWRWXOSLSBN-UHFFFAOYSA-N 2 0 314.433 2.303 20 30 DEEDRP C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129309332 401802343 /nfs/dbraw/zinc/80/23/43/401802343.db2.gz SYVXRMZOOOOAKP-GWCFXTLKSA-N 2 0 321.494 2.050 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+]CC(C)(C)CCC#N)ccn1 ZINC000136232180 401963931 /nfs/dbraw/zinc/96/39/31/401963931.db2.gz CIQJJPHSBLLBSL-UHFFFAOYSA-N 2 0 304.438 2.442 20 30 DEEDRP C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152383149 402093912 /nfs/dbraw/zinc/09/39/12/402093912.db2.gz DBPDAAUMCRSEBI-CYBMUJFWSA-N 2 0 320.462 2.222 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000126295259 402273602 /nfs/dbraw/zinc/27/36/02/402273602.db2.gz SEXMBTFGDZDKEO-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP [NH2+]=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccn1 ZINC000170913517 402541163 /nfs/dbraw/zinc/54/11/63/402541163.db2.gz RSTBGBGWGAAVKE-UHFFFAOYSA-N 2 0 309.417 2.257 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000170910658 402540581 /nfs/dbraw/zinc/54/05/81/402540581.db2.gz NRXQAOCNDGJYBE-UHFFFAOYSA-N 2 0 300.450 2.379 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)N1 ZINC000262660340 402729414 /nfs/dbraw/zinc/72/94/14/402729414.db2.gz MUQZTGIBWYWWQC-GJZGRUSLSA-N 2 0 300.450 2.498 20 30 DEEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C1CC1)Cc1ccccc1 ZINC000273350557 402997031 /nfs/dbraw/zinc/99/70/31/402997031.db2.gz QAFHBWQONPHVPB-QGZVFWFLSA-N 2 0 302.466 2.348 20 30 DEEDRP CC(C)C(N)=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283616062 403210176 /nfs/dbraw/zinc/21/01/76/403210176.db2.gz VPRMKTPSERFMRF-INIZCTEOSA-N 2 0 305.422 2.222 20 30 DEEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283989131 403237131 /nfs/dbraw/zinc/23/71/31/403237131.db2.gz LWDJSUYMQDXLHS-AWEZNQCLSA-N 2 0 318.465 2.362 20 30 DEEDRP C#CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277660147 403242346 /nfs/dbraw/zinc/24/23/46/403242346.db2.gz FJZNUOKPRVSGQX-KRWDZBQOSA-N 2 0 316.445 2.289 20 30 DEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000271037418 403256541 /nfs/dbraw/zinc/25/65/41/403256541.db2.gz MGOKHUMASIGSEP-UHFFFAOYSA-N 2 0 307.482 2.241 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000345946279 403544388 /nfs/dbraw/zinc/54/43/88/403544388.db2.gz ZNMWDONQCGVQBE-UHFFFAOYSA-N 2 0 306.498 2.417 20 30 DEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346847615 403605651 /nfs/dbraw/zinc/60/56/51/403605651.db2.gz DJDRWVYJVZQQFJ-XHSDSOJGSA-N 2 0 302.418 2.429 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347128171 403616875 /nfs/dbraw/zinc/61/68/75/403616875.db2.gz WNAMVBLEIHLOSW-NVXWUHKLSA-N 2 0 315.417 2.124 20 30 DEEDRP C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370010196 404303295 /nfs/dbraw/zinc/30/32/95/404303295.db2.gz SDAUQQUACORDFO-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000354098770 405044189 /nfs/dbraw/zinc/04/41/89/405044189.db2.gz ZSDUUTGBCPHZGV-SFHVURJKSA-N 2 0 301.434 2.491 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C#N)c2F)CC1 ZINC000451988759 405120368 /nfs/dbraw/zinc/12/03/68/405120368.db2.gz PMGGRVFDOHQXIW-UHFFFAOYSA-N 2 0 318.440 2.203 20 30 DEEDRP COCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000423406967 405794669 /nfs/dbraw/zinc/79/46/69/405794669.db2.gz LGQYJAKTJKFGPA-ZDUSSCGKSA-N 2 0 305.397 2.364 20 30 DEEDRP C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682287 406204613 /nfs/dbraw/zinc/20/46/13/406204613.db2.gz RMUSFQSRAHOJDX-UHFFFAOYSA-N 2 0 316.449 2.018 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCC[NH2+]1 ZINC000662678862 425710690 /nfs/dbraw/zinc/71/06/90/425710690.db2.gz JBIJJQWIDFNHDQ-HOCLYGCPSA-N 2 0 307.463 2.165 20 30 DEEDRP 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 425716311 /nfs/dbraw/zinc/71/63/11/425716311.db2.gz RSJINNMWRNHOKJ-KYHPRHEASA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000342766492 276891787 /nfs/dbraw/zinc/89/17/87/276891787.db2.gz VLMBJAUKKFIHEB-YESZJQIVSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CCC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423400160 277837297 /nfs/dbraw/zinc/83/72/97/277837297.db2.gz WSWWPEWQVQQZAC-KGLIPLIRSA-N 2 0 305.388 2.157 20 30 DEEDRP CC#CCCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000362299352 333046695 /nfs/dbraw/zinc/04/66/95/333046695.db2.gz HDUYRKGILQDCNB-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)C(C)C ZINC000134572057 341218661 /nfs/dbraw/zinc/21/86/61/341218661.db2.gz RWAPECRBTGOPHO-AEFFLSMTSA-N 2 0 307.482 2.333 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001378392341 1152314662 /nfs/dbraw/zinc/31/46/62/1152314662.db2.gz RMVWZIWLKANCBJ-OAHLLOKOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001330297928 1149088214 /nfs/dbraw/zinc/08/82/14/1149088214.db2.gz RJZWNHAECIBDCZ-FJIDUMEYSA-N 2 0 319.493 2.119 20 30 DEEDRP C[C@H]1C[NH+]=C(NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)N1 ZINC000262655440 533989950 /nfs/dbraw/zinc/98/99/50/533989950.db2.gz LOACITQBEMOCPT-DOTOQJQBSA-N 2 0 300.450 2.397 20 30 DEEDRP CNC(NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)=[NH+]C ZINC000262040685 526344542 /nfs/dbraw/zinc/34/45/42/526344542.db2.gz RWONCXRVOWGJTH-RISCZKNCSA-N 2 0 312.820 2.267 20 30 DEEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)NC[C@@]1(C)CCCS1 ZINC000261962411 526413119 /nfs/dbraw/zinc/41/31/19/526413119.db2.gz KQBJUWMCUSTEHM-OAHLLOKOSA-N 2 0 312.527 2.312 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])C(C)C ZINC000422838613 527651334 /nfs/dbraw/zinc/65/13/34/527651334.db2.gz XTICXQKQKKIBNF-XMTFNYHQSA-N 2 0 309.498 2.027 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+](CCCSCC#N)CC2)CC1 ZINC000371349764 529039361 /nfs/dbraw/zinc/03/93/61/529039361.db2.gz MEXBPZOWTCFXHD-UHFFFAOYSA-N 2 0 324.538 2.124 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001368812435 1148682541 /nfs/dbraw/zinc/68/25/41/1148682541.db2.gz XVQCAGATZLQHTD-NRXISQOPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684973 625439536 /nfs/dbraw/zinc/43/95/36/625439536.db2.gz KNWYJWONILLIJM-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947311116 625447002 /nfs/dbraw/zinc/44/70/02/625447002.db2.gz YGFKSEPNIGYPNI-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470506 625465336 /nfs/dbraw/zinc/46/53/36/625465336.db2.gz YKINQCMEEIICOZ-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001026501981 625485422 /nfs/dbraw/zinc/48/54/22/625485422.db2.gz LVDGPCFRISTSDB-UHFFFAOYSA-N 2 0 319.474 2.074 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001026547330 625513031 /nfs/dbraw/zinc/51/30/31/625513031.db2.gz KAMCRKAFIDXBJT-KLAILNCOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001020865574 623161372 /nfs/dbraw/zinc/16/13/72/623161372.db2.gz KXIYWZCZEMMGBY-SHTZXODSSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970328340 623403976 /nfs/dbraw/zinc/40/39/76/623403976.db2.gz JGWVMOMZQPAGHM-XHSDSOJGSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970717059 623638486 /nfs/dbraw/zinc/63/84/86/623638486.db2.gz VNHHSLBUHQYXOJ-OAHLLOKOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC(C)(C)NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000891268139 623839258 /nfs/dbraw/zinc/83/92/58/623839258.db2.gz MFJCJZXSBOXWMG-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891520115 624467215 /nfs/dbraw/zinc/46/72/15/624467215.db2.gz DROOUPVMQPJAPV-INIZCTEOSA-N 2 0 322.497 2.104 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971667010 624497887 /nfs/dbraw/zinc/49/78/87/624497887.db2.gz HCPULRAXLIBGLO-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551481 625232330 /nfs/dbraw/zinc/23/23/30/625232330.db2.gz LBMNIVIYTRLIHV-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396822 625252768 /nfs/dbraw/zinc/25/27/68/625252768.db2.gz WLJWYAFOMFQSCV-CQSZACIVSA-N 2 0 321.490 2.438 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454353 625275937 /nfs/dbraw/zinc/27/59/37/625275937.db2.gz SWASAEFDVKNFQV-MRXNPFEDSA-N 2 0 324.428 2.108 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455923 625278140 /nfs/dbraw/zinc/27/81/40/625278140.db2.gz UGHSWEDUIWCLEW-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442645 625778051 /nfs/dbraw/zinc/77/80/51/625778051.db2.gz UHAWCXXAHGVDFD-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024523379 625838257 /nfs/dbraw/zinc/83/82/57/625838257.db2.gz PVLDNGCUQHQYJP-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999972529 634711972 /nfs/dbraw/zinc/71/19/72/634711972.db2.gz GHLJGOQWKBCBIL-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995906625 633133642 /nfs/dbraw/zinc/13/36/42/633133642.db2.gz SAKQGFXCEURTIX-JKSUJKDBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995983851 633153677 /nfs/dbraw/zinc/15/36/77/633153677.db2.gz SERATEORDRIZJI-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996128210 633191298 /nfs/dbraw/zinc/19/12/98/633191298.db2.gz QRKSCDILTPXVBK-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686908 633235938 /nfs/dbraw/zinc/23/59/38/633235938.db2.gz ZBTPJQAAMAQXMC-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045642 633396931 /nfs/dbraw/zinc/39/69/31/633396931.db2.gz BNQGYHFZURQXMY-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975114860 633429236 /nfs/dbraw/zinc/42/92/36/633429236.db2.gz XHWVNTSJXWYBAR-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997289443 633696995 /nfs/dbraw/zinc/69/69/95/633696995.db2.gz KUFYKTMMJRZUOD-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477225 633858454 /nfs/dbraw/zinc/85/84/54/633858454.db2.gz CTZDVKUDUUQGMI-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000836824067 650133374 /nfs/dbraw/zinc/13/33/74/650133374.db2.gz SBTTYUHAXMYVBF-UHFFFAOYSA-N 2 0 315.461 2.275 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997865792 634014584 /nfs/dbraw/zinc/01/45/84/634014584.db2.gz HYLGEGWOAKWMNU-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027546517 634073717 /nfs/dbraw/zinc/07/37/17/634073717.db2.gz PXOUTWNQSWDQOI-OAHLLOKOSA-N 2 0 305.422 2.064 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000980475433 635015204 /nfs/dbraw/zinc/01/52/04/635015204.db2.gz FYSQOKKGJOLHLM-LSDHHAIUSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000903085 635335849 /nfs/dbraw/zinc/33/58/49/635335849.db2.gz IICUHGSYJQISEC-UHFFFAOYSA-N 2 0 317.477 2.329 20 30 DEEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001229143 635431238 /nfs/dbraw/zinc/43/12/38/635431238.db2.gz HHYSJJUNWCASOZ-GOSISDBHSA-N 2 0 317.477 2.021 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981311796 635431257 /nfs/dbraw/zinc/43/12/57/635431257.db2.gz PEKNPPUVYBGCID-CABCVRRESA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052483 635845100 /nfs/dbraw/zinc/84/51/00/635845100.db2.gz MDJOHDWGJJSMFT-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099716 635866539 /nfs/dbraw/zinc/86/65/39/635866539.db2.gz HPQAJIVCAADXJB-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003966342 636101374 /nfs/dbraw/zinc/10/13/74/636101374.db2.gz AKJCXEQUXULBIH-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004454022 636451036 /nfs/dbraw/zinc/45/10/36/636451036.db2.gz ZHPAECRBMHMXBJ-NXHRZFHOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765362 636622188 /nfs/dbraw/zinc/62/21/88/636622188.db2.gz MVQCPDOZIJNVKX-FGTMMUONSA-N 2 0 321.509 2.319 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028755817 636703642 /nfs/dbraw/zinc/70/36/42/636703642.db2.gz VMSOTOFRLVUUDG-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOC)CCCCC1 ZINC000187056639 636907528 /nfs/dbraw/zinc/90/75/28/636907528.db2.gz LRYXIURUEGZPPL-MRXNPFEDSA-N 2 0 324.513 2.362 20 30 DEEDRP CN(Cc1csc(C#N)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894459711 637053245 /nfs/dbraw/zinc/05/32/45/637053245.db2.gz MCLZEJGPTSFWHD-INIZCTEOSA-N 2 0 318.490 2.220 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001005999427 637064530 /nfs/dbraw/zinc/06/45/30/637064530.db2.gz XPQVGDMYSYOMMV-RDJZCZTQSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946892465 637126342 /nfs/dbraw/zinc/12/63/42/637126342.db2.gz CLDPDZFAAQIQEX-FGTMMUONSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902393 637180380 /nfs/dbraw/zinc/18/03/80/637180380.db2.gz NTFATMCNJJLDEX-HDICACEKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923497344 637213643 /nfs/dbraw/zinc/21/36/43/637213643.db2.gz DRNYAVFNNZEIRO-BBRMVZONSA-N 2 0 303.450 2.390 20 30 DEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503943 637218376 /nfs/dbraw/zinc/21/83/76/637218376.db2.gz RDKNORIQCRJOHD-QGZVFWFLSA-N 2 0 319.493 2.289 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000894863284 637271648 /nfs/dbraw/zinc/27/16/48/637271648.db2.gz WFPSVSVQSDZQBU-OAHLLOKOSA-N 2 0 304.434 2.267 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC000740737786 637900591 /nfs/dbraw/zinc/90/05/91/637900591.db2.gz WWVDKUJIHIHCGP-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000763968358 640589978 /nfs/dbraw/zinc/58/99/78/640589978.db2.gz CRVJSIOYTQTGKB-UHFFFAOYSA-N 2 0 315.461 2.407 20 30 DEEDRP C[NH+]1CCN(c2ccc(C=[NH+]O[C@@H]3CCCCO3)cc2)CC1 ZINC000771557593 641524904 /nfs/dbraw/zinc/52/49/04/641524904.db2.gz GCHUEAKHRBDOSH-QGZVFWFLSA-N 2 0 303.406 2.316 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000900106273 642265820 /nfs/dbraw/zinc/26/58/20/642265820.db2.gz GQRRBMYDTFIPIY-SFHVURJKSA-N 2 0 315.461 2.448 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000900428946 642367991 /nfs/dbraw/zinc/36/79/91/642367991.db2.gz LNQPXIIYTDJIOW-BBWFWOEESA-N 2 0 307.482 2.358 20 30 DEEDRP N#CC1CCC(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000903474450 643359789 /nfs/dbraw/zinc/35/97/89/643359789.db2.gz MUBYTQNOIYBWFT-HTWSVDAQSA-N 2 0 305.466 2.407 20 30 DEEDRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]1 ZINC000903988826 643541053 /nfs/dbraw/zinc/54/10/53/643541053.db2.gz XYNQMFUSZCMNDQ-INMHGKMJSA-N 2 0 313.449 2.218 20 30 DEEDRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000903988020 643541196 /nfs/dbraw/zinc/54/11/96/643541196.db2.gz MPVMQRHXCITVBK-HZPDHXFCSA-N 2 0 301.438 2.203 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000992783317 647246453 /nfs/dbraw/zinc/24/64/53/647246453.db2.gz CPLVJZFTEJKLQZ-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP CC(C)(C[NH2+]C[C@H](O)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000819259851 647620123 /nfs/dbraw/zinc/62/01/23/647620123.db2.gz MLYURDDVKVXJSH-KRWDZBQOSA-N 2 0 301.434 2.303 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000819335599 647638575 /nfs/dbraw/zinc/63/85/75/647638575.db2.gz MJIBRJCUCJYPPR-INIZCTEOSA-N 2 0 321.490 2.245 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993528256 647690420 /nfs/dbraw/zinc/69/04/20/647690420.db2.gz KBKBXNMBSCBZGS-MAUKXSAKSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993546393 647693767 /nfs/dbraw/zinc/69/37/67/647693767.db2.gz KDVBWKBANBEOQI-YOEHRIQHSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940801150 648945075 /nfs/dbraw/zinc/94/50/75/648945075.db2.gz ODZPSTYMPVJXGJ-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842948 648955279 /nfs/dbraw/zinc/95/52/79/648955279.db2.gz TUSKXVQCAWHMLT-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026837 648988127 /nfs/dbraw/zinc/98/81/27/648988127.db2.gz OPJFPMUAHBLCSB-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941031568 648989663 /nfs/dbraw/zinc/98/96/63/648989663.db2.gz ASHRQTKEWBGJOZ-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941122716 649005122 /nfs/dbraw/zinc/00/51/22/649005122.db2.gz BWBUYOCJTJJAAD-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941237865 649028801 /nfs/dbraw/zinc/02/88/01/649028801.db2.gz RRGPXZBVWXJXRT-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942173942 649174881 /nfs/dbraw/zinc/17/48/81/649174881.db2.gz SNSJYXRTVHIOCO-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943288939 649359424 /nfs/dbraw/zinc/35/94/24/649359424.db2.gz NYRXTCNXVSSUDD-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP CC[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)NC(C)C ZINC000072605545 649461911 /nfs/dbraw/zinc/46/19/11/649461911.db2.gz XDXIJQQZABVQEF-ZDUSSCGKSA-N 2 0 308.495 2.458 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001392764930 1157396515 /nfs/dbraw/zinc/39/65/15/1157396515.db2.gz MZNYLMYZUDGPBT-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001393747902 1157946572 /nfs/dbraw/zinc/94/65/72/1157946572.db2.gz KGKBJAFSEVTULN-GXTWGEPZSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001393747909 1157947364 /nfs/dbraw/zinc/94/73/64/1157947364.db2.gz KGKBJAFSEVTULN-OCCSQVGLSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001375245631 1158399354 /nfs/dbraw/zinc/39/93/54/1158399354.db2.gz XKLCVXGLSCMNTJ-CQSZACIVSA-N 2 0 313.873 2.098 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000305193766 685282639 /nfs/dbraw/zinc/28/26/39/685282639.db2.gz VRIWOOCVZRRIAP-MRXNPFEDSA-N 2 0 313.449 2.099 20 30 DEEDRP CC[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000104167606 684058294 /nfs/dbraw/zinc/05/82/94/684058294.db2.gz NWFURWAYIWJFQW-KRWDZBQOSA-N 2 0 302.466 2.303 20 30 DEEDRP C#CC[NH+]1CCC(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000928648945 693817572 /nfs/dbraw/zinc/81/75/72/693817572.db2.gz VULVKPMOURQYSQ-UHFFFAOYSA-N 2 0 324.428 2.118 20 30 DEEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCSC(C)(C)C1 ZINC000126855232 684157941 /nfs/dbraw/zinc/15/79/41/684157941.db2.gz YGHPZTZCXFKYKG-CQSZACIVSA-N 2 0 324.538 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054145865 693862046 /nfs/dbraw/zinc/86/20/46/693862046.db2.gz YZSFRZIVUYHLAM-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209691 693883453 /nfs/dbraw/zinc/88/34/53/693883453.db2.gz VTPGCYHTJYXGOK-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054227128 693891823 /nfs/dbraw/zinc/89/18/23/693891823.db2.gz DTGDTKDKWYUESX-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC1CCCCC1 ZINC000303791186 685235902 /nfs/dbraw/zinc/23/59/02/685235902.db2.gz XDFGNCLEFKXVLF-OAHLLOKOSA-N 2 0 310.486 2.114 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCc2ccccc21 ZINC000303909307 685240433 /nfs/dbraw/zinc/24/04/33/685240433.db2.gz YCBJOHZHLWKVNX-IRXDYDNUSA-N 2 0 314.477 2.495 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001054724349 694032612 /nfs/dbraw/zinc/03/26/12/694032612.db2.gz UGUFWKOZCTWEMM-HIFRSBDPSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001054826548 694054660 /nfs/dbraw/zinc/05/46/60/694054660.db2.gz MEIBTNKLUBVINJ-SUMWQHHRSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016794875 687704647 /nfs/dbraw/zinc/70/46/47/687704647.db2.gz ZSTYLEFDGYKUPP-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016974579 687747018 /nfs/dbraw/zinc/74/70/18/687747018.db2.gz LSAPTIBLGUNTMB-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1=O ZINC000872157758 688941015 /nfs/dbraw/zinc/94/10/15/688941015.db2.gz QUMDZWRPPYEUBC-NXHRZFHOSA-N 2 0 319.493 2.393 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033078000 689379236 /nfs/dbraw/zinc/37/92/36/689379236.db2.gz VDWHDGNRNFXDNM-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033294638 689452527 /nfs/dbraw/zinc/45/25/27/689452527.db2.gz CFBGFMPPIWIJQE-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298028 689452815 /nfs/dbraw/zinc/45/28/15/689452815.db2.gz YEVGHXVHDMBAFT-QGZVFWFLSA-N 2 0 315.461 2.123 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507096 689524682 /nfs/dbraw/zinc/52/46/82/689524682.db2.gz BRWYHJQFYRHOAB-QGZVFWFLSA-N 2 0 301.434 2.081 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033548405 689537347 /nfs/dbraw/zinc/53/73/47/689537347.db2.gz QLVZBIIBSCTMER-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210726 689764805 /nfs/dbraw/zinc/76/48/05/689764805.db2.gz JDRBZLMEOPVWNV-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034241466 689777957 /nfs/dbraw/zinc/77/79/57/689777957.db2.gz XVZGZXVPZINEHI-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034281107 689793159 /nfs/dbraw/zinc/79/31/59/689793159.db2.gz CLFWCYJRWPXTIM-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310383 689805630 /nfs/dbraw/zinc/80/56/30/689805630.db2.gz XECAKWPPUNCURO-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479200 689866451 /nfs/dbraw/zinc/86/64/51/689866451.db2.gz UPTZFOZEGAVTPP-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000876735235 689920783 /nfs/dbraw/zinc/92/07/83/689920783.db2.gz BZLIZZYKCAYZQX-IMJJTQAJSA-N 2 0 321.852 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034663000 689922467 /nfs/dbraw/zinc/92/24/67/689922467.db2.gz NSAHXAZMKJRPCT-BRWVUGGUSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001034769023 689944386 /nfs/dbraw/zinc/94/43/86/689944386.db2.gz OODQTKQAPYEJKN-QAQDUYKDSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccc(CC)cc1 ZINC000876838308 689950851 /nfs/dbraw/zinc/95/08/51/689950851.db2.gz JFTXMMRMHSJNPO-HZPDHXFCSA-N 2 0 321.852 2.192 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035258092 690075646 /nfs/dbraw/zinc/07/56/46/690075646.db2.gz FYKOATMXCFLGCC-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035779350 690174546 /nfs/dbraw/zinc/17/45/46/690174546.db2.gz OYEMZOZPFPWZOX-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035795687 690177973 /nfs/dbraw/zinc/17/79/73/690177973.db2.gz XOKGKEYTBDJVOX-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001036314704 690318765 /nfs/dbraw/zinc/31/87/65/690318765.db2.gz ZXQKUZJXZOWABU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036853989 690500140 /nfs/dbraw/zinc/50/01/40/690500140.db2.gz CHNBQLIHGPXXMF-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859456 690501591 /nfs/dbraw/zinc/50/15/91/690501591.db2.gz QBDKWHJPKYZSSJ-QZTJIDSGSA-N 2 0 319.493 2.216 20 30 DEEDRP COCCN(Cc1cc(F)ccc1C#N)CC1CC[NH+](C)CC1 ZINC000879124814 690572752 /nfs/dbraw/zinc/57/27/52/690572752.db2.gz DZLZNPRFPPUFAX-UHFFFAOYSA-N 2 0 319.424 2.488 20 30 DEEDRP COCC[N@H+](CC#Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879127091 690573702 /nfs/dbraw/zinc/57/37/02/690573702.db2.gz QQNBTWSEZALJLH-UHFFFAOYSA-N 2 0 300.446 2.328 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CC ZINC001037855212 690624229 /nfs/dbraw/zinc/62/42/29/690624229.db2.gz OJKAXGKYCNRSTM-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001037885060 690632733 /nfs/dbraw/zinc/63/27/33/690632733.db2.gz NIWSLOOLFNHBNL-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1CC ZINC001037955778 690648752 /nfs/dbraw/zinc/64/87/52/690648752.db2.gz AOERUPYPRCPWBE-GOEBONIOSA-N 2 0 316.449 2.164 20 30 DEEDRP C=CCN1CC[C@H]([N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1=O ZINC000879703364 690711027 /nfs/dbraw/zinc/71/10/27/690711027.db2.gz JRBNMGFQTDORMY-KRWDZBQOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039132856 691029747 /nfs/dbraw/zinc/02/97/47/691029747.db2.gz PRMANTSCKLOGDT-KBAYOESNSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039158190 691035016 /nfs/dbraw/zinc/03/50/16/691035016.db2.gz NLVKRDLFMDQQTB-SFHVURJKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039174422 691040068 /nfs/dbraw/zinc/04/00/68/691040068.db2.gz VKVZXVHJTXXJQU-AEFFLSMTSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224708 691060508 /nfs/dbraw/zinc/06/05/08/691060508.db2.gz IPSZMDOUKPUTCH-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039282639 691074750 /nfs/dbraw/zinc/07/47/50/691074750.db2.gz VKAWJPPNBNBDGG-NPYXIHBLSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040708045 691281397 /nfs/dbraw/zinc/28/13/97/691281397.db2.gz OKHKKAKEXZDSOO-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000882624602 691329454 /nfs/dbraw/zinc/32/94/54/691329454.db2.gz YYUKVSNHWRFMBV-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446304 691376799 /nfs/dbraw/zinc/37/67/99/691376799.db2.gz SECXZTPJNMRKDW-SFHVURJKSA-N 2 0 310.401 2.058 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845723 691444593 /nfs/dbraw/zinc/44/45/93/691444593.db2.gz OSICJIRNLLDNEF-PKOBYXMFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CCCO1 ZINC000883186265 691452274 /nfs/dbraw/zinc/45/22/74/691452274.db2.gz OJHKFOCOQUUIEZ-MSOLQXFVSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000883194675 691454181 /nfs/dbraw/zinc/45/41/81/691454181.db2.gz AKWGDPKUWDBVEK-ROUUACIJSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186615 691532266 /nfs/dbraw/zinc/53/22/66/691532266.db2.gz IPQCRJUECCLWAJ-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233035 691542401 /nfs/dbraw/zinc/54/24/01/691542401.db2.gz BXMUSFJHTDJCRD-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027092 691986708 /nfs/dbraw/zinc/98/67/08/691986708.db2.gz CBVLCTSWUAOURW-IAGOWNOFSA-N 2 0 305.466 2.095 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921228 692052277 /nfs/dbraw/zinc/05/22/77/692052277.db2.gz IEXQIARUIYAKFY-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000886316756 692054161 /nfs/dbraw/zinc/05/41/61/692054161.db2.gz LWUBRPAXGQGWCN-NVXWUHKLSA-N 2 0 314.433 2.037 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943341 692058747 /nfs/dbraw/zinc/05/87/47/692058747.db2.gz IICYRHAQIWMJRI-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045966921 692064377 /nfs/dbraw/zinc/06/43/77/692064377.db2.gz JPLWJWJRAIPCDA-HKUYNNGSSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046563014 692225206 /nfs/dbraw/zinc/22/52/06/692225206.db2.gz ZHYYIRRUYZAKKI-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263833 692404613 /nfs/dbraw/zinc/40/46/13/692404613.db2.gz DEXCLEOTFMSEIR-ZWKOTPCHSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049096967 692762994 /nfs/dbraw/zinc/76/29/94/692762994.db2.gz FKPOWBJEPHHVTQ-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572576 692926462 /nfs/dbraw/zinc/92/64/62/692926462.db2.gz MFWGUEQOENTORA-ZWKOTPCHSA-N 2 0 322.412 2.037 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049656038 692956116 /nfs/dbraw/zinc/95/61/16/692956116.db2.gz UFPZATAGAPWOJI-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049702214 692968660 /nfs/dbraw/zinc/96/86/60/692968660.db2.gz FXRWSOSMHHCCAJ-IXDOHACOSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001050122324 693114079 /nfs/dbraw/zinc/11/40/79/693114079.db2.gz QVDXVDBFCSUZCN-RCCFBDPRSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175291 693129901 /nfs/dbraw/zinc/12/99/01/693129901.db2.gz OLXFORUKZNHHRU-ZWKOTPCHSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524453 693200513 /nfs/dbraw/zinc/20/05/13/693200513.db2.gz FRRHGETWPYKNJZ-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050564629 693207535 /nfs/dbraw/zinc/20/75/35/693207535.db2.gz SOIIVUALTAYDMK-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001050731168 693239684 /nfs/dbraw/zinc/23/96/84/693239684.db2.gz WAXJHXQSKLPEOD-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052394198 693522697 /nfs/dbraw/zinc/52/26/97/693522697.db2.gz BAWUKHKFKJHVPU-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515292 693554324 /nfs/dbraw/zinc/55/43/24/693554324.db2.gz CRGPGAFDAOLIPQ-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765434 693615590 /nfs/dbraw/zinc/61/55/90/693615590.db2.gz ZKBHPALONZORGS-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765436 693615683 /nfs/dbraw/zinc/61/56/83/693615683.db2.gz ZKBHPALONZORGS-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871980 693637350 /nfs/dbraw/zinc/63/73/50/693637350.db2.gz SWIHYEFRUOWAHE-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001332149292 1149825941 /nfs/dbraw/zinc/82/59/41/1149825941.db2.gz UBRWOIROMFMACY-KZNAEPCWSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001353509224 1151835088 /nfs/dbraw/zinc/83/50/88/1151835088.db2.gz WTESBXVLMAXEGN-IAGOWNOFSA-N 2 0 303.450 2.398 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001357620506 1152318931 /nfs/dbraw/zinc/31/89/31/1152318931.db2.gz VERCKVLPTMLRLI-LBPRGKRZSA-N 2 0 308.451 2.232 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001380931050 1152879697 /nfs/dbraw/zinc/87/96/97/1152879697.db2.gz KPYNHTUSFRLLIH-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001381132635 1152920862 /nfs/dbraw/zinc/92/08/62/1152920862.db2.gz WGPFPLCABGYGQJ-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C[C@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC001363291156 1153316998 /nfs/dbraw/zinc/31/69/98/1153316998.db2.gz XPMHVOUKKLBGCW-HNAYVOBHSA-N 2 0 322.412 2.197 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001371633884 1155889523 /nfs/dbraw/zinc/88/95/23/1155889523.db2.gz KNEWNFZTFDAXOK-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376294026 1159320576 /nfs/dbraw/zinc/32/05/76/1159320576.db2.gz XJELZLIHDYBMDP-HNNXBMFYSA-N 2 0 313.873 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001397663406 1160388778 /nfs/dbraw/zinc/38/87/78/1160388778.db2.gz IRIKYTFIFUXGKB-HDJSIYSDSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)CN1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398255866 1160836464 /nfs/dbraw/zinc/83/64/64/1160836464.db2.gz SZFQEGDBOGZIBT-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001417798777 1167221119 /nfs/dbraw/zinc/22/11/19/1167221119.db2.gz LEODZNXFBDMGMU-SHTZXODSSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001420025472 1169075630 /nfs/dbraw/zinc/07/56/30/1169075630.db2.gz RPTDYIATDKYYNW-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001420949029 1171374877 /nfs/dbraw/zinc/37/48/77/1171374877.db2.gz HZCWPSCDYKMOBO-UHFFFAOYSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001423017120 1173018664 /nfs/dbraw/zinc/01/86/64/1173018664.db2.gz WOJPSFOYJRZNRO-CABCVRRESA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001423166229 1173137052 /nfs/dbraw/zinc/13/70/52/1173137052.db2.gz BKHORLMXEUXRAW-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001438299383 1180329547 /nfs/dbraw/zinc/32/95/47/1180329547.db2.gz JRTAKSVWQYREQX-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001442470680 1182488206 /nfs/dbraw/zinc/48/82/06/1182488206.db2.gz GBAOFGUPYADVHC-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001443148199 1182862085 /nfs/dbraw/zinc/86/20/85/1182862085.db2.gz RTIPGSUTJVRGLE-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001332149294 1149825744 /nfs/dbraw/zinc/82/57/44/1149825744.db2.gz UBRWOIROMFMACY-RCCFBDPRSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106664964 782839572 /nfs/dbraw/zinc/83/95/72/782839572.db2.gz DHMPIDYIGASHBA-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001333432500 1150049582 /nfs/dbraw/zinc/04/95/82/1150049582.db2.gz AIEHQFUPZISWGR-QGZVFWFLSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059345 790424621 /nfs/dbraw/zinc/42/46/21/790424621.db2.gz BIVVGAOXTHOLEB-UHFFFAOYSA-N 2 0 313.445 2.082 20 30 DEEDRP C=CCCC[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001209160776 776673259 /nfs/dbraw/zinc/67/32/59/776673259.db2.gz BWYZZVNSDUCUPC-UHFFFAOYSA-N 2 0 318.465 2.255 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385373 776978835 /nfs/dbraw/zinc/97/88/35/776978835.db2.gz AKVRSKLIBABBGX-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425123 777018609 /nfs/dbraw/zinc/01/86/09/777018609.db2.gz CALQPJAPUMJUQN-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP 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 777953567 /nfs/dbraw/zinc/95/35/67/777953567.db2.gz WOJDLSCRRMVQDM-VSZNYVQBSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104913848 778249953 /nfs/dbraw/zinc/24/99/53/778249953.db2.gz HTZGHGHVIQKVPE-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932746 778260638 /nfs/dbraw/zinc/26/06/38/778260638.db2.gz LNWWSBQWRNYCDB-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742118 778311870 /nfs/dbraw/zinc/31/18/70/778311870.db2.gz DGXALLODHRKMHE-IRXDYDNUSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742121 778312594 /nfs/dbraw/zinc/31/25/94/778312594.db2.gz DGXALLODHRKMHE-SJORKVTESA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602680 779375039 /nfs/dbraw/zinc/37/50/39/779375039.db2.gz ZUBCQNKNIHKKLB-FGTMMUONSA-N 2 0 319.493 2.242 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087790938 779453741 /nfs/dbraw/zinc/45/37/41/779453741.db2.gz OBQXGECNVUYBSU-ZWKOTPCHSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001088325844 779957044 /nfs/dbraw/zinc/95/70/44/779957044.db2.gz ADERZDHAFBWLQH-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088381853 780052322 /nfs/dbraw/zinc/05/23/22/780052322.db2.gz OMJMWXQUVXPYQE-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769771 780969195 /nfs/dbraw/zinc/96/91/95/780969195.db2.gz CRDNMMIFABTJNA-QAPCUYQASA-N 2 0 315.461 2.169 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088817589 781046804 /nfs/dbraw/zinc/04/68/04/781046804.db2.gz XERZNQKZKFNGNO-YVSFHVDLSA-N 2 0 307.482 2.262 20 30 DEEDRP CC(C)[NH+]1CCN(CC[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171186707 790915057 /nfs/dbraw/zinc/91/50/57/790915057.db2.gz YOQOSFQGMXCKQX-KRWDZBQOSA-N 2 0 314.477 2.105 20 30 DEEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616798 783280831 /nfs/dbraw/zinc/28/08/31/783280831.db2.gz NYUFCRYWSYPFBB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570815 783506694 /nfs/dbraw/zinc/50/66/94/783506694.db2.gz RLYQFXHPJHKGOG-MRXNPFEDSA-N 2 0 324.428 2.202 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948619944 783531754 /nfs/dbraw/zinc/53/17/54/783531754.db2.gz AOXLNDIEIHAWTI-KRWDZBQOSA-N 2 0 324.428 2.284 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085364856 783654615 /nfs/dbraw/zinc/65/46/15/783654615.db2.gz WFRQDRSHLYBELX-QZTJIDSGSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001085380221 783661646 /nfs/dbraw/zinc/66/16/46/783661646.db2.gz NFNJFGHKWRLFAE-IAGOWNOFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085638880 783913894 /nfs/dbraw/zinc/91/38/94/783913894.db2.gz CEXZOVYRPOAZDI-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968377568 784338431 /nfs/dbraw/zinc/33/84/31/784338431.db2.gz JMKGIFCVLXLGII-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221337 784500253 /nfs/dbraw/zinc/50/02/53/784500253.db2.gz PCAMXUOMBQXQDL-YVSFHVDLSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086380285 784633597 /nfs/dbraw/zinc/63/35/97/784633597.db2.gz OPZZWPVHDQXKCC-CTYIDZIISA-N 2 0 321.490 2.484 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(C)C ZINC000968893388 784639942 /nfs/dbraw/zinc/63/99/42/784639942.db2.gz JUGWAXFJDNZPIG-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500163 784937658 /nfs/dbraw/zinc/93/76/58/784937658.db2.gz RAQBTQKNKWTSIP-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267144 791074363 /nfs/dbraw/zinc/07/43/63/791074363.db2.gz AMAPFDCZYVCXHP-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007725238 784983047 /nfs/dbraw/zinc/98/30/47/784983047.db2.gz YWSQGOMNIRHLDG-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134213 785052169 /nfs/dbraw/zinc/05/21/69/785052169.db2.gz RIZUTIXSEIFYGO-FVQHAEBGSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008299116 785167119 /nfs/dbraw/zinc/16/71/19/785167119.db2.gz NKUDBADGDYBEMK-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009629592 785495270 /nfs/dbraw/zinc/49/52/70/785495270.db2.gz SPMDCCGFDKBKBA-MRXNPFEDSA-N 2 0 301.434 2.128 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2nccn21 ZINC001171248664 791123831 /nfs/dbraw/zinc/12/38/31/791123831.db2.gz XFVZFLNURUQPIJ-HOTGVXAUSA-N 2 0 316.449 2.048 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171253415 791145103 /nfs/dbraw/zinc/14/51/03/791145103.db2.gz CUQZNSKVMKJZGB-SJORKVTESA-N 2 0 307.482 2.147 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171253413 791145303 /nfs/dbraw/zinc/14/53/03/791145303.db2.gz CUQZNSKVMKJZGB-IAGOWNOFSA-N 2 0 307.482 2.147 20 30 DEEDRP 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 785861736 /nfs/dbraw/zinc/86/17/36/785861736.db2.gz BANNYYFKDSYNCH-YVSFHVDLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654119 785976668 /nfs/dbraw/zinc/97/66/68/785976668.db2.gz XHTNTJJYQMAOQY-YVSFHVDLSA-N 2 0 307.482 2.404 20 30 DEEDRP 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 785988598 /nfs/dbraw/zinc/98/85/98/785988598.db2.gz YOXOJCKNKIFXPB-LTIDMASMSA-N 2 0 307.482 2.260 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146525 786417797 /nfs/dbraw/zinc/41/77/97/786417797.db2.gz FRNQOBZXXMWFET-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156631 786419921 /nfs/dbraw/zinc/41/99/21/786419921.db2.gz PBQGWJLIZUUKPD-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015597940 787129869 /nfs/dbraw/zinc/12/98/69/787129869.db2.gz CPGSHGUILFNFLD-RDJZCZTQSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001158283213 787571142 /nfs/dbraw/zinc/57/11/42/787571142.db2.gz FMNGZQVCLZRKQM-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132264877 787996115 /nfs/dbraw/zinc/99/61/15/787996115.db2.gz DDKKJEZAQWBPFV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001097177396 788009610 /nfs/dbraw/zinc/00/96/10/788009610.db2.gz QFALRLUKMRUSPN-WCXIOVBPSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CN(C)Cc2ccccc2)CC[C@H]1C ZINC001132541315 788117866 /nfs/dbraw/zinc/11/78/66/788117866.db2.gz CVMAMHLASMIAOY-SJLPKXTDSA-N 2 0 315.461 2.274 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133225068 788321880 /nfs/dbraw/zinc/32/18/80/788321880.db2.gz GCUBHZZXWYBKMQ-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086712279 788610302 /nfs/dbraw/zinc/61/03/02/788610302.db2.gz YISOCNVWXVPASX-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808283 789096236 /nfs/dbraw/zinc/09/62/36/789096236.db2.gz GXQDTOVJNYOORJ-CHWSQXEVSA-N 2 0 300.406 2.315 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935973 789566429 /nfs/dbraw/zinc/56/64/29/789566429.db2.gz YRUMUIMDRSXGDX-QWHCGFSZSA-N 2 0 324.856 2.387 20 30 DEEDRP N#Cc1c(Cl)nc(Cl)c(N[C@@H]([NH3+])CCC[NH3+])c1Cl ZINC001170896571 789643031 /nfs/dbraw/zinc/64/30/31/789643031.db2.gz HJXUDMYHOMJBNB-ZCFIWIBFSA-N 2 0 308.600 2.349 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919348 789971804 /nfs/dbraw/zinc/97/18/04/789971804.db2.gz AINUJZNXBJTWFM-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071973230 789994937 /nfs/dbraw/zinc/99/49/37/789994937.db2.gz FLBBTTYJMQPHST-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCC)C2)CC1 ZINC001072096010 790050935 /nfs/dbraw/zinc/05/09/35/790050935.db2.gz RYTLJSOFQCUFKP-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666531 791635882 /nfs/dbraw/zinc/63/58/82/791635882.db2.gz AYPBJIDGYWUECQ-LMMKCTJWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292899 791731462 /nfs/dbraw/zinc/73/14/62/791731462.db2.gz ZKOOVXIHTYKSTF-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735570 791774731 /nfs/dbraw/zinc/77/47/31/791774731.db2.gz VWTOLMCSCVTBCW-AEFFLSMTSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 791913582 /nfs/dbraw/zinc/91/35/82/791913582.db2.gz HOEGNYKMEFUXJD-LMMKCTJWSA-N 2 0 321.509 2.319 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914346 791982971 /nfs/dbraw/zinc/98/29/71/791982971.db2.gz SJGBQEFSIDUVDH-KXBFYZLASA-N 2 0 324.428 2.413 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110538 792100488 /nfs/dbraw/zinc/10/04/88/792100488.db2.gz FWYOGBLSFJKYFQ-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774291 792134559 /nfs/dbraw/zinc/13/45/59/792134559.db2.gz KPRVXIYBOWURNZ-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848544 792881144 /nfs/dbraw/zinc/88/11/44/792881144.db2.gz RABSTETZEWTPNT-DAWZGUTISA-N 2 0 319.493 2.149 20 30 DEEDRP C[C@@H](CCCC#N)[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172495068 793438099 /nfs/dbraw/zinc/43/80/99/793438099.db2.gz MLZJPSADRZCJIA-INIZCTEOSA-N 2 0 315.465 2.419 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001094950642 793499555 /nfs/dbraw/zinc/49/95/55/793499555.db2.gz MNOOKJOBZVTCKP-ZOBUZTSGSA-N 2 0 324.428 2.411 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780953 793752718 /nfs/dbraw/zinc/75/27/18/793752718.db2.gz WHBXXOMTBTZITC-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C[NH+]1CCN(C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)CC1 ZINC001173596101 793774259 /nfs/dbraw/zinc/77/42/59/793774259.db2.gz JPWORLGFZRGOSK-UHFFFAOYSA-N 2 0 304.482 2.171 20 30 DEEDRP C=CCCCCC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203349706 793942858 /nfs/dbraw/zinc/94/28/58/793942858.db2.gz XZZTUBNQUSRRJY-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906904 794098588 /nfs/dbraw/zinc/09/85/88/794098588.db2.gz XXMUEQJOEBVDPG-ULQDDVLXSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001175218886 794160971 /nfs/dbraw/zinc/16/09/71/794160971.db2.gz WVQPHGIKMHMXFF-IRXDYDNUSA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001103662763 794181589 /nfs/dbraw/zinc/18/15/89/794181589.db2.gz POVHOEUYCMKRTO-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874850 794311135 /nfs/dbraw/zinc/31/11/35/794311135.db2.gz WSFHJABVWUGUCU-KRWDZBQOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176194169 794372491 /nfs/dbraw/zinc/37/24/91/794372491.db2.gz ZZPQIAVIXIQSBH-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746895 794486339 /nfs/dbraw/zinc/48/63/39/794486339.db2.gz OXWMCVQAJCGXHS-INIZCTEOSA-N 2 0 315.461 2.260 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111909693 794524454 /nfs/dbraw/zinc/52/44/54/794524454.db2.gz JQKPHGGTZAFNNL-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115119144 794683496 /nfs/dbraw/zinc/68/34/96/794683496.db2.gz RYBWRXBEZFYCSS-IMBTUZDBSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115301562 794728287 /nfs/dbraw/zinc/72/82/87/794728287.db2.gz BTPGUSHROJZLCL-VSZNYVQBSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115533395 794812576 /nfs/dbraw/zinc/81/25/76/794812576.db2.gz DHGGVPLOODPAFP-INIZCTEOSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573006 794826530 /nfs/dbraw/zinc/82/65/30/794826530.db2.gz CWQUXPBOKFANLC-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCCC1 ZINC001115611541 794841272 /nfs/dbraw/zinc/84/12/72/794841272.db2.gz MPBWMPJOISLKPM-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCCCC1 ZINC001115630463 794850879 /nfs/dbraw/zinc/85/08/79/794850879.db2.gz NSDWHQNRPYWUDO-UHFFFAOYSA-N 2 0 324.428 2.380 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808825 795001193 /nfs/dbraw/zinc/00/11/93/795001193.db2.gz VPJHQJHKMHLHLQ-UHFFFAOYSA-N 2 0 319.493 2.152 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001179965320 795221671 /nfs/dbraw/zinc/22/16/71/795221671.db2.gz XXIMKKBCOCOJHR-UHFFFAOYSA-N 2 0 321.509 2.396 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC=C)CC1 ZINC001180360363 795281915 /nfs/dbraw/zinc/28/19/15/795281915.db2.gz GLIVLEMQCQHCQB-UHFFFAOYSA-N 2 0 319.493 2.174 20 30 DEEDRP C[NH+]1CCN(c2ccc(C=[NH+]NC3CCSCC3)cc2)CC1 ZINC001119302389 795285547 /nfs/dbraw/zinc/28/55/47/795285547.db2.gz DSALHVKDZGPVNI-UHFFFAOYSA-N 2 0 318.490 2.258 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423230 795456862 /nfs/dbraw/zinc/45/68/62/795456862.db2.gz SEYCJLPTORCFID-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440147 795460044 /nfs/dbraw/zinc/46/00/44/795460044.db2.gz MAOZPJGZXGMMCK-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439485 795460059 /nfs/dbraw/zinc/46/00/59/795460059.db2.gz HBBISEIFFLMBHV-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440634 795461284 /nfs/dbraw/zinc/46/12/84/795461284.db2.gz QBVBEGJRMOQQCW-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121245466 795606641 /nfs/dbraw/zinc/60/66/41/795606641.db2.gz GCQVBGUFFYVAPD-APUKJBRXSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182401710 795663402 /nfs/dbraw/zinc/66/34/02/795663402.db2.gz KVQQRDWPXUDFFF-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001121707187 795676547 /nfs/dbraw/zinc/67/65/47/795676547.db2.gz DEYHHIYYKPESIS-LMBQMVEXSA-N 2 0 307.482 2.166 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001121774101 795685891 /nfs/dbraw/zinc/68/58/91/795685891.db2.gz YKXVVMUKAQYEHY-KZIPQDEESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676115 795725244 /nfs/dbraw/zinc/72/52/44/795725244.db2.gz ANQFUYOEVYJEIC-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001183184843 795819036 /nfs/dbraw/zinc/81/90/36/795819036.db2.gz WZCHIVZOJHSXMD-RDTXWAMCSA-N 2 0 316.449 2.021 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517052 795879776 /nfs/dbraw/zinc/87/97/76/795879776.db2.gz MIXBYDXASXASGS-ZIFCJYIRSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001184560645 796084511 /nfs/dbraw/zinc/08/45/11/796084511.db2.gz VPQZXKZMMLRUPC-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184822398 796133462 /nfs/dbraw/zinc/13/34/62/796133462.db2.gz RDZCJVUELDWTQS-HOTGVXAUSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185090431 796179203 /nfs/dbraw/zinc/17/92/03/796179203.db2.gz LOYRMEPHQMYBEV-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185749544 796309992 /nfs/dbraw/zinc/30/99/92/796309992.db2.gz CJMWQCZGFVMIFT-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189160076 796777128 /nfs/dbraw/zinc/77/71/28/796777128.db2.gz UWANOFXCSMYLAY-DLBZAZTESA-N 2 0 321.509 2.463 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115119145 796870362 /nfs/dbraw/zinc/87/03/62/796870362.db2.gz RYBWRXBEZFYCSS-VXNCWWDNSA-N 2 0 321.509 2.345 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189898286 796907813 /nfs/dbraw/zinc/90/78/13/796907813.db2.gz JTYKIOPSUYGDJF-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153382266 797331847 /nfs/dbraw/zinc/33/18/47/797331847.db2.gz ZGCLZIMIRRHRNL-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192907567 797469486 /nfs/dbraw/zinc/46/94/86/797469486.db2.gz YDVUEHUYLZUUIX-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080213 797674327 /nfs/dbraw/zinc/67/43/27/797674327.db2.gz IMARHCUAXZQDMQ-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275820 797697360 /nfs/dbraw/zinc/69/73/60/797697360.db2.gz YFGGXVCSGIGYES-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP N#Cc1c2c(cnc1N1C[C@H]([NH3+])Cc3ccccc31)C[NH2+]CCC2 ZINC001155298698 797728571 /nfs/dbraw/zinc/72/85/71/797728571.db2.gz VYCBHFVLWYHHHR-OAHLLOKOSA-N 2 0 319.412 2.011 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839514 797861690 /nfs/dbraw/zinc/86/16/90/797861690.db2.gz YAQUUJXPDMKICD-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001197149577 798154875 /nfs/dbraw/zinc/15/48/75/798154875.db2.gz BLSKISAWGXKURQ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001203901981 798318122 /nfs/dbraw/zinc/31/81/22/798318122.db2.gz ATBJOCWJWIITTB-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158083419 798339341 /nfs/dbraw/zinc/33/93/41/798339341.db2.gz XRZFQPNGGPEGBX-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP N#Cc1cc(Nc2ccc(OCC[NH3+])cc2)cc(C2C[NH2+]C2)c1 ZINC001159686983 798596764 /nfs/dbraw/zinc/59/67/64/798596764.db2.gz SKXMCXUEZKJTQX-UHFFFAOYSA-N 2 0 308.385 2.326 20 30 DEEDRP C#CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360647 798679362 /nfs/dbraw/zinc/67/93/62/798679362.db2.gz UFNHKSZIPONBRI-SFHVURJKSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201044345 798709585 /nfs/dbraw/zinc/70/95/85/798709585.db2.gz UGXLGCRNBDGWOC-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834705 798748016 /nfs/dbraw/zinc/74/80/16/798748016.db2.gz OWCQUHSSWRZDTA-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161083592 798793584 /nfs/dbraw/zinc/79/35/84/798793584.db2.gz CHEFXYMDDBMOIC-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161704578 798916818 /nfs/dbraw/zinc/91/68/18/798916818.db2.gz DDVWYCSWBYYTBA-KRWDZBQOSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879104 798956928 /nfs/dbraw/zinc/95/69/28/798956928.db2.gz FDQRZBXYAADHNM-UHFFFAOYSA-N 2 0 305.466 2.187 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001114403635 799089769 /nfs/dbraw/zinc/08/97/69/799089769.db2.gz WEUIPPVYKYBZGZ-VXNCWWDNSA-N 2 0 319.493 2.262 20 30 DEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(CC#N)cc1Cl ZINC001163130173 799254259 /nfs/dbraw/zinc/25/42/59/799254259.db2.gz YQOFVHJIUAKHIL-UHFFFAOYSA-N 2 0 308.817 2.079 20 30 DEEDRP 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 799647916 /nfs/dbraw/zinc/64/79/16/799647916.db2.gz WNXHEWLZSRATCD-BDXSIMOUSA-N 2 0 319.493 2.262 20 30 DEEDRP C[NH+](C)CCn1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cn1 ZINC001206367297 800518949 /nfs/dbraw/zinc/51/89/49/800518949.db2.gz BYJJYTKSWZQYIP-UHFFFAOYSA-N 2 0 323.444 2.256 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948065 800638389 /nfs/dbraw/zinc/63/83/89/800638389.db2.gz TULDNKKHJKOLCV-IYBDPMFKSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001208109316 800914474 /nfs/dbraw/zinc/91/44/74/800914474.db2.gz IUZUGNMIEYETOW-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261993 800943765 /nfs/dbraw/zinc/94/37/65/800943765.db2.gz WMSOUUYMROJIFQ-HOTGVXAUSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208279210 800945229 /nfs/dbraw/zinc/94/52/29/800945229.db2.gz KSSZFRNZBZBCLT-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328339 800955542 /nfs/dbraw/zinc/95/55/42/800955542.db2.gz CQVMMISKIYLYKT-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471660 800990722 /nfs/dbraw/zinc/99/07/22/800990722.db2.gz WBCNMWMWWNBLFC-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP COc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C#N)c1 ZINC001210266891 801362815 /nfs/dbraw/zinc/36/28/15/801362815.db2.gz SIVGFSKXAMTSML-UHFFFAOYSA-N 2 0 309.373 2.115 20 30 DEEDRP C=CCCCCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267926 801377991 /nfs/dbraw/zinc/37/79/91/801377991.db2.gz RJAAYCQEGJVZCX-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211063985 801507253 /nfs/dbraw/zinc/50/72/53/801507253.db2.gz FVMASDHQVBTDRR-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C(C)C ZINC001211221107 801532339 /nfs/dbraw/zinc/53/23/39/801532339.db2.gz BALBIXJCEABDHW-GVDBMIGSSA-N 2 0 322.497 2.077 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262324 801539659 /nfs/dbraw/zinc/53/96/59/801539659.db2.gz OGKTYJVQKKTKTK-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453559 801862697 /nfs/dbraw/zinc/86/26/97/801862697.db2.gz IGVLICPFPAGNTB-HLLBOEOZSA-N 2 0 307.482 2.119 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)ccc1C#N ZINC001232892070 801979383 /nfs/dbraw/zinc/97/93/83/801979383.db2.gz WXBSNDHUIXVBCB-UHFFFAOYSA-N 2 0 320.456 2.403 20 30 DEEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001233081861 802023247 /nfs/dbraw/zinc/02/32/47/802023247.db2.gz RQQIPJQAQVFXHR-UHFFFAOYSA-N 2 0 312.417 2.497 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799803 802499615 /nfs/dbraw/zinc/49/96/15/802499615.db2.gz HHQMWAWQQFZRFP-FRRDWIJNSA-N 2 0 321.387 2.107 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cncc3C)C[C@@H]21 ZINC001223116049 802767285 /nfs/dbraw/zinc/76/72/85/802767285.db2.gz QCQXVHZTIBDDQJ-SJORKVTESA-N 2 0 316.449 2.081 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226554046 803123819 /nfs/dbraw/zinc/12/38/19/803123819.db2.gz KXWHZSFFSLPQBW-BZUAXINKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001228983921 803438883 /nfs/dbraw/zinc/43/88/83/803438883.db2.gz PBSLIBRQXSWXOH-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001328787696 1148835558 /nfs/dbraw/zinc/83/55/58/1148835558.db2.gz XVLCRUOQSCZICZ-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP C#Cc1cccc(NC(=O)C[N@@H+](C)CC2CC[NH+](CC)CC2)c1 ZINC001461946240 1058739908 /nfs/dbraw/zinc/73/99/08/1058739908.db2.gz RHXRUINPGGOATK-UHFFFAOYSA-N 2 0 313.445 2.270 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001501240021 1059399731 /nfs/dbraw/zinc/39/97/31/1059399731.db2.gz DITQHHBECWQOKP-CALCHBBNSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001501394538 1059489795 /nfs/dbraw/zinc/48/97/95/1059489795.db2.gz IJCITNYGFVGACP-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001502732053 1060256700 /nfs/dbraw/zinc/25/67/00/1060256700.db2.gz VJFGEQWKJFQFOG-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001503024114 1060426784 /nfs/dbraw/zinc/42/67/84/1060426784.db2.gz SUCYLLXAKUZWIU-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479306992 1061380903 /nfs/dbraw/zinc/38/09/03/1061380903.db2.gz LBTXXIXYAGCPKE-YESZJQIVSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001479319136 1061388882 /nfs/dbraw/zinc/38/88/82/1061388882.db2.gz FATOKQBALGVSQX-YQQAZPJKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001479369229 1061419758 /nfs/dbraw/zinc/41/97/58/1061419758.db2.gz PPGYQKKRUTWOMV-JOCBIADPSA-N 2 0 319.493 2.167 20 30 DEEDRP C=CCC[NH+]1CCC(N(CCC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001479995153 1062159262 /nfs/dbraw/zinc/15/92/62/1062159262.db2.gz HUPMHLDXWKNVIK-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001506621394 1062199981 /nfs/dbraw/zinc/19/99/81/1062199981.db2.gz LIDFCLQUQRRRGJ-BHYGNILZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001506863891 1062448443 /nfs/dbraw/zinc/44/84/43/1062448443.db2.gz BEPBYODNNNGCRY-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480267875 1062571652 /nfs/dbraw/zinc/57/16/52/1062571652.db2.gz STARFOSSLCVIBV-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001480359151 1062712066 /nfs/dbraw/zinc/71/20/66/1062712066.db2.gz OFHHYGLRDBOFLZ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001480384712 1062767115 /nfs/dbraw/zinc/76/71/15/1062767115.db2.gz CJRHWOKRUJCBQD-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001480404017 1062810296 /nfs/dbraw/zinc/81/02/96/1062810296.db2.gz YGDJMBWKKADXNQ-OFLPRAFFSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001508142692 1063577296 /nfs/dbraw/zinc/57/72/96/1063577296.db2.gz MKVKVKTVDYMHAW-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001567371420 1064167114 /nfs/dbraw/zinc/16/71/14/1064167114.db2.gz JCQJXCZKWFDSGZ-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001494196780 1064167897 /nfs/dbraw/zinc/16/78/97/1064167897.db2.gz UEVCHQAVKBXQQU-SFHVURJKSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001567405979 1064184663 /nfs/dbraw/zinc/18/46/63/1064184663.db2.gz LXTAGSXFVGXGQD-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001567693320 1064350912 /nfs/dbraw/zinc/35/09/12/1064350912.db2.gz NITRKHWAKLMCJY-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001567701332 1064358371 /nfs/dbraw/zinc/35/83/71/1064358371.db2.gz HFQIMTGOIMAABW-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567730341 1064385576 /nfs/dbraw/zinc/38/55/76/1064385576.db2.gz ZRSORANSXVWUOS-FGTMMUONSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567742790 1064395342 /nfs/dbraw/zinc/39/53/42/1064395342.db2.gz USSMKGRNQDTMOV-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001567746453 1064399406 /nfs/dbraw/zinc/39/94/06/1064399406.db2.gz FPCOUAUYUSDOTF-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001267845567 1079536952 /nfs/dbraw/zinc/53/69/52/1079536952.db2.gz WQPHLPYWRQBQFI-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1sccc1C[NH+](C)C ZINC001567961411 1064562138 /nfs/dbraw/zinc/56/21/38/1064562138.db2.gz CDMIGZKLRKQPAI-AWEZNQCLSA-N 2 0 309.479 2.484 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567976715 1064572171 /nfs/dbraw/zinc/57/21/71/1064572171.db2.gz IWGJDOKSJWYQGK-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@@H]1C ZINC001568043482 1064615511 /nfs/dbraw/zinc/61/55/11/1064615511.db2.gz KWMVYZLQVUPTAH-WMZOPIPTSA-N 2 0 307.482 2.006 20 30 DEEDRP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001495278338 1064803827 /nfs/dbraw/zinc/80/38/27/1064803827.db2.gz HPLDKOWUWMSFFK-LPHOPBHVSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001568379729 1064823244 /nfs/dbraw/zinc/82/32/44/1064823244.db2.gz VKCQVXYULXAWOJ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568387354 1064829689 /nfs/dbraw/zinc/82/96/89/1064829689.db2.gz VBWNNFBYKRFQSC-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568531189 1064942356 /nfs/dbraw/zinc/94/23/56/1064942356.db2.gz NPORNTAFHRZDRY-IAGOWNOFSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568669853 1065036939 /nfs/dbraw/zinc/03/69/39/1065036939.db2.gz XMWDZISCJMAMNT-AEFFLSMTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001569165710 1065333436 /nfs/dbraw/zinc/33/34/36/1065333436.db2.gz VEQUNNVELKXAGC-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001496240125 1065358279 /nfs/dbraw/zinc/35/82/79/1065358279.db2.gz XCPUFYYTMONPDY-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001623816159 1078210226 /nfs/dbraw/zinc/21/02/26/1078210226.db2.gz VJWRIXLYXVBIJK-UHFFFAOYSA-N 2 0 315.461 2.147 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001496465609 1065487972 /nfs/dbraw/zinc/48/79/72/1065487972.db2.gz YOVNFKSIXXVUKL-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001569523408 1065568687 /nfs/dbraw/zinc/56/86/87/1065568687.db2.gz SWOHWIHWGOVPBD-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001569800434 1065723860 /nfs/dbraw/zinc/72/38/60/1065723860.db2.gz QGGFJOFZEJHONN-GOSISDBHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569811565 1065733292 /nfs/dbraw/zinc/73/32/92/1065733292.db2.gz SEBVISLWCSRMHG-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001569813454 1065734832 /nfs/dbraw/zinc/73/48/32/1065734832.db2.gz HVGMZGPNBPTHOW-HOTGVXAUSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001570027110 1065891025 /nfs/dbraw/zinc/89/10/25/1065891025.db2.gz WBFYAAKCRKIOAJ-UHFFFAOYSA-N 2 0 315.461 2.405 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497265962 1065998705 /nfs/dbraw/zinc/99/87/05/1065998705.db2.gz BQXAGEPFWFFJST-CYBMUJFWSA-N 2 0 303.878 2.201 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497384557 1066064567 /nfs/dbraw/zinc/06/45/67/1066064567.db2.gz YNCCHCDCSHUYJT-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498358341 1066652488 /nfs/dbraw/zinc/65/24/88/1066652488.db2.gz ZDKRZDRCZHMSPV-CYBMUJFWSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001671309162 1078524474 /nfs/dbraw/zinc/52/44/74/1078524474.db2.gz ZRJHEGSFVYIVGK-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267181788 1078646389 /nfs/dbraw/zinc/64/63/89/1078646389.db2.gz NNMOHPZXNCBGQK-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001570813750 1068125103 /nfs/dbraw/zinc/12/51/03/1068125103.db2.gz GMKVCQQYIBQNID-AEFFLSMTSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001267201904 1078661209 /nfs/dbraw/zinc/66/12/09/1078661209.db2.gz UNGHZAXBZQTNDH-FUHWJXTLSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571360069 1068246739 /nfs/dbraw/zinc/24/67/39/1068246739.db2.gz LIPDIEPAJXVZBM-ROUUACIJSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC/C=C/CC)CC1 ZINC001571419637 1068286503 /nfs/dbraw/zinc/28/65/03/1068286503.db2.gz VHKJCEVGNHCVFO-IWAYRVGRSA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001571492762 1068349747 /nfs/dbraw/zinc/34/97/47/1068349747.db2.gz IMYDYVMJHCJYQE-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001571526335 1068394513 /nfs/dbraw/zinc/39/45/13/1068394513.db2.gz FGMQYDVOZJZFDR-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001571565294 1068423871 /nfs/dbraw/zinc/42/38/71/1068423871.db2.gz WBWLMFQAZKSMNE-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001571639280 1068453660 /nfs/dbraw/zinc/45/36/60/1068453660.db2.gz KYBRZOHDSKVURE-SJORKVTESA-N 2 0 321.509 2.251 20 30 DEEDRP C#CCC[NH+]1CCC(C2(NC(=O)CC[N@@H+](C)CCC)CC2)CC1 ZINC001571670139 1068471103 /nfs/dbraw/zinc/47/11/03/1068471103.db2.gz AEUSGWLFTOVMMN-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267317801 1078760971 /nfs/dbraw/zinc/76/09/71/1078760971.db2.gz ANQGTEWMLLYOEN-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001267334989 1078772790 /nfs/dbraw/zinc/77/27/90/1078772790.db2.gz WCQPPXVLPMNKSS-OAHLLOKOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001267371336 1078801535 /nfs/dbraw/zinc/80/15/35/1078801535.db2.gz YAALHGOMJPSEDD-GOSISDBHSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001267419373 1078839041 /nfs/dbraw/zinc/83/90/41/1078839041.db2.gz MHCJGKNCTFUYBM-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267459766 1078867626 /nfs/dbraw/zinc/86/76/26/1078867626.db2.gz MPORELOMBTVAGA-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])C2CCCCCC2)CC1 ZINC001574582907 1069241249 /nfs/dbraw/zinc/24/12/49/1069241249.db2.gz BTKZRSDSRRUOTO-SFHVURJKSA-N 2 0 319.493 2.136 20 30 DEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001521546934 1069251081 /nfs/dbraw/zinc/25/10/81/1069251081.db2.gz OEZWPKPPXLKUEJ-OLZOCXBDSA-N 2 0 305.413 2.178 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267464959 1078877293 /nfs/dbraw/zinc/87/72/93/1078877293.db2.gz BBZLJOCYWHLPLE-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001542326521 1072456283 /nfs/dbraw/zinc/45/62/83/1072456283.db2.gz GMTFLERZEFVUPH-NVXWUHKLSA-N 2 0 301.434 2.056 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267537415 1078967011 /nfs/dbraw/zinc/96/70/11/1078967011.db2.gz IPTAWRVWVOKESN-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267566555 1079000332 /nfs/dbraw/zinc/00/03/32/1079000332.db2.gz GGSYRIKZIRRISN-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267596705 1079114117 /nfs/dbraw/zinc/11/41/17/1079114117.db2.gz OZUPWXNHCORTJN-SFHVURJKSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845928 1079148248 /nfs/dbraw/zinc/14/82/48/1079148248.db2.gz SQUJVIZRNKRQRJ-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001483863049 1079157882 /nfs/dbraw/zinc/15/78/82/1079157882.db2.gz KRGJOPATNHHIDB-NVXWUHKLSA-N 2 0 307.482 2.357 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001483997328 1079231286 /nfs/dbraw/zinc/23/12/86/1079231286.db2.gz WJSRGGWFHMLMRQ-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001481140367 1079248346 /nfs/dbraw/zinc/24/83/46/1079248346.db2.gz VRZMXBZUYOONRK-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001267629602 1079309234 /nfs/dbraw/zinc/30/92/34/1079309234.db2.gz BFDIYSOHXRDSAI-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001484124924 1079314056 /nfs/dbraw/zinc/31/40/56/1079314056.db2.gz KPBDKVHJSAIWSA-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CN(C)Cc1ccccc1 ZINC001283720882 1079323277 /nfs/dbraw/zinc/32/32/77/1079323277.db2.gz GMFPJZJHRPCVHU-MRXNPFEDSA-N 2 0 303.450 2.131 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001565830473 1075191858 /nfs/dbraw/zinc/19/18/58/1075191858.db2.gz WGABOCJJWVKQTP-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267700942 1079388118 /nfs/dbraw/zinc/38/81/18/1079388118.db2.gz KQEIDQBHPWVEHM-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001566714265 1075324914 /nfs/dbraw/zinc/32/49/14/1075324914.db2.gz JIHWYEJNVATDRB-NVXWUHKLSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001566755974 1075337474 /nfs/dbraw/zinc/33/74/74/1075337474.db2.gz YCZCVGCPZPLSGE-XLAORIBOSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001566766886 1075339582 /nfs/dbraw/zinc/33/95/82/1075339582.db2.gz XBGDNIWWLMUZED-RDJZCZTQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001566806451 1075349401 /nfs/dbraw/zinc/34/94/01/1075349401.db2.gz KOLYJTSTZXPZBN-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001267706610 1079394511 /nfs/dbraw/zinc/39/45/11/1079394511.db2.gz FFZNDABDGMLHOZ-YESZJQIVSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001567016312 1075416937 /nfs/dbraw/zinc/41/69/37/1075416937.db2.gz FFGOSPJEJSOQAD-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567167424 1075451143 /nfs/dbraw/zinc/45/11/43/1075451143.db2.gz OKNNHXDUBMAFCQ-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001267840899 1079529626 /nfs/dbraw/zinc/52/96/26/1079529626.db2.gz GMAXDJYWRPLHLE-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339644 1079549693 /nfs/dbraw/zinc/54/96/93/1079549693.db2.gz YXEQGVCJCSSUFM-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267946537 1079625451 /nfs/dbraw/zinc/62/54/51/1079625451.db2.gz SWJZAUKHPILACH-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001484526505 1079640671 /nfs/dbraw/zinc/64/06/71/1079640671.db2.gz FWKIWIMEGDDABT-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001484645666 1079703087 /nfs/dbraw/zinc/70/30/87/1079703087.db2.gz SOWULUXKKKXVCH-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001481332733 1079727349 /nfs/dbraw/zinc/72/73/49/1079727349.db2.gz DILYLYSTJVEGOK-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481443175 1079856691 /nfs/dbraw/zinc/85/66/91/1079856691.db2.gz RKINAFZGVWIEHM-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481462699 1079910109 /nfs/dbraw/zinc/91/01/09/1079910109.db2.gz VGUXBUPOLBBHQP-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485073013 1079958216 /nfs/dbraw/zinc/95/82/16/1079958216.db2.gz NEOBTPBDTKHFNW-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211961 1080072715 /nfs/dbraw/zinc/07/27/15/1080072715.db2.gz MGNQLYFWUZMWBX-LSDHHAIUSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC(CC)CC)CC1 ZINC001485229286 1080076862 /nfs/dbraw/zinc/07/68/62/1080076862.db2.gz IORJEZBQNOQETP-JKSUJKDBSA-N 2 0 321.509 2.251 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001485254258 1080088745 /nfs/dbraw/zinc/08/87/45/1080088745.db2.gz ZDNVBNABUHMXIN-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001656957106 1080142348 /nfs/dbraw/zinc/14/23/48/1080142348.db2.gz GMTHKFHZISPXDB-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001657076274 1080152306 /nfs/dbraw/zinc/15/23/06/1080152306.db2.gz VBVATEIDKAOMII-ZWKOTPCHSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001268169960 1080158651 /nfs/dbraw/zinc/15/86/51/1080158651.db2.gz QJMQWYZNWYYIRG-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001660475719 1080337633 /nfs/dbraw/zinc/33/76/33/1080337633.db2.gz PLPKXZNBTMCIBT-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001660475718 1080338469 /nfs/dbraw/zinc/33/84/69/1080338469.db2.gz PLPKXZNBTMCIBT-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001661213159 1080456776 /nfs/dbraw/zinc/45/67/76/1080456776.db2.gz MGMSMMWGEWUGHO-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001661826959 1080529022 /nfs/dbraw/zinc/52/90/22/1080529022.db2.gz GSIIYVFPFPHBRR-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001662578118 1080617865 /nfs/dbraw/zinc/61/78/65/1080617865.db2.gz SXRPLFKHPLUZKN-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001481975131 1080661972 /nfs/dbraw/zinc/66/19/72/1080661972.db2.gz QLYAOAKOVSZTEU-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001663067802 1080694612 /nfs/dbraw/zinc/69/46/12/1080694612.db2.gz XRLXYBCFLKWKNY-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001664457436 1080912828 /nfs/dbraw/zinc/91/28/28/1080912828.db2.gz OGVQSLAJGPZEIU-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001664578545 1080928052 /nfs/dbraw/zinc/92/80/52/1080928052.db2.gz PATAJWHIEWGWFN-QGZVFWFLSA-N 2 0 315.461 2.494 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001268742415 1080962670 /nfs/dbraw/zinc/96/26/70/1080962670.db2.gz HOUFMRNCOGONQJ-SJLPKXTDSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001665617398 1081047704 /nfs/dbraw/zinc/04/77/04/1081047704.db2.gz QGUJINRYICBSIY-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001666027168 1081112529 /nfs/dbraw/zinc/11/25/29/1081112529.db2.gz WUNSCUKJNZZIMZ-MAUKXSAKSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001666027169 1081112662 /nfs/dbraw/zinc/11/26/62/1081112662.db2.gz WUNSCUKJNZZIMZ-QAPCUYQASA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269129461 1081130266 /nfs/dbraw/zinc/13/02/66/1081130266.db2.gz KDOYKOPEUBESJD-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001666500858 1081156213 /nfs/dbraw/zinc/15/62/13/1081156213.db2.gz CXFFGYSAIXSCPM-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001667063665 1081206825 /nfs/dbraw/zinc/20/68/25/1081206825.db2.gz NMGMJJFKPRXZSX-OAHLLOKOSA-N 2 0 319.449 2.195 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001667133849 1081214952 /nfs/dbraw/zinc/21/49/52/1081214952.db2.gz ACVWXIVINDFFAP-ROUUACIJSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001667337544 1081239040 /nfs/dbraw/zinc/23/90/40/1081239040.db2.gz DNANZHKXQRAMOZ-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001269621776 1081310960 /nfs/dbraw/zinc/31/09/60/1081310960.db2.gz OBWHUSJWGMXKLJ-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001668178847 1081324461 /nfs/dbraw/zinc/32/44/61/1081324461.db2.gz NGWHLBVPVYVKFX-LSDHHAIUSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269729833 1081348422 /nfs/dbraw/zinc/34/84/22/1081348422.db2.gz HTYKNOFWHUUCCF-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001668455036 1081356988 /nfs/dbraw/zinc/35/69/88/1081356988.db2.gz HGVNNGFKOFAVOP-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269859029 1081384526 /nfs/dbraw/zinc/38/45/26/1081384526.db2.gz KIDHGUZJIRACRA-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001284770365 1081432244 /nfs/dbraw/zinc/43/22/44/1081432244.db2.gz BOOIBUZSGXVBPQ-QQFBHYJXSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001270244535 1081483244 /nfs/dbraw/zinc/48/32/44/1081483244.db2.gz KCBPPFZGAGFAIR-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001280220387 1081521532 /nfs/dbraw/zinc/52/15/32/1081521532.db2.gz XIFZFCIGUGEFQC-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001671843142 1081542640 /nfs/dbraw/zinc/54/26/40/1081542640.db2.gz SHPRWJVLWYZTJV-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001672381182 1081591023 /nfs/dbraw/zinc/59/10/23/1081591023.db2.gz MHEBPYMSSRTIMO-BRWVUGGUSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCC1 ZINC001673201294 1081746099 /nfs/dbraw/zinc/74/60/99/1081746099.db2.gz AWSUSLIPJDDFMI-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001673625189 1081786398 /nfs/dbraw/zinc/78/63/98/1081786398.db2.gz MLCRXQBKCPIISL-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001673879677 1081808238 /nfs/dbraw/zinc/80/82/38/1081808238.db2.gz XMTQRXNJNQYRNF-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001482428105 1081816248 /nfs/dbraw/zinc/81/62/48/1081816248.db2.gz GHSHWPQIZDDJQL-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001270991241 1081867960 /nfs/dbraw/zinc/86/79/60/1081867960.db2.gz MFHNALWJRFGTRN-SFHVURJKSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC/C=C\CC)CC1 ZINC001271217833 1081992721 /nfs/dbraw/zinc/99/27/21/1081992721.db2.gz VNTMQGDYDVBTEY-ZPUOCTKUSA-N 2 0 319.493 2.124 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC/C=C\CC)CC1 ZINC001271217831 1081993163 /nfs/dbraw/zinc/99/31/63/1081993163.db2.gz VNTMQGDYDVBTEY-QWPQOLDESA-N 2 0 319.493 2.124 20 30 DEEDRP C=CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001266390210 1082015199 /nfs/dbraw/zinc/01/51/99/1082015199.db2.gz OIVIAJDIPXITCX-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001266486213 1082069521 /nfs/dbraw/zinc/06/95/21/1082069521.db2.gz MNYZOQRCZSQDGY-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001271600021 1082088962 /nfs/dbraw/zinc/08/89/62/1082088962.db2.gz MZCGFGFAMOUFRI-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001671332494 1082143095 /nfs/dbraw/zinc/14/30/95/1082143095.db2.gz AEORCQIBMHXQDU-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001670586987 1082189294 /nfs/dbraw/zinc/18/92/94/1082189294.db2.gz DHFAOKQVWOCXRM-SJORKVTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266640479 1082240418 /nfs/dbraw/zinc/24/04/18/1082240418.db2.gz WCRAKNBQUSZGND-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266770134 1082332745 /nfs/dbraw/zinc/33/27/45/1082332745.db2.gz PEPOUTUKOAXTLN-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001671257822 1082371290 /nfs/dbraw/zinc/37/12/90/1082371290.db2.gz WXOLNATZTCZUFU-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482678794 1082469675 /nfs/dbraw/zinc/46/96/75/1082469675.db2.gz SWDAZZDTYJWQMH-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442765 1083397688 /nfs/dbraw/zinc/39/76/88/1083397688.db2.gz OQXGPENTCACQDB-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582755 1083493179 /nfs/dbraw/zinc/49/31/79/1083493179.db2.gz UESSRADORJHUTA-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276996050 1083725384 /nfs/dbraw/zinc/72/53/84/1083725384.db2.gz SZSTUNZIBUSCQL-JFIYKMOQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001272755666 1083934796 /nfs/dbraw/zinc/93/47/96/1083934796.db2.gz IMNDUCDWYZELRR-JCNLHEQBSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001491222925 1084166226 /nfs/dbraw/zinc/16/62/26/1084166226.db2.gz SZWDLZVRUJBGGV-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001491270094 1084191051 /nfs/dbraw/zinc/19/10/51/1084191051.db2.gz XRMYFXMLZHRWBB-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491284282 1084209318 /nfs/dbraw/zinc/20/93/18/1084209318.db2.gz RPDUUUDTNQPKIX-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP N#CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277943565 1084423327 /nfs/dbraw/zinc/42/33/27/1084423327.db2.gz YWLVMQGGNJEZQZ-IYBDPMFKSA-N 2 0 314.433 2.235 20 30 DEEDRP N#CCCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001277944986 1084428335 /nfs/dbraw/zinc/42/83/35/1084428335.db2.gz IJWWZRDQRVKZBE-DLBZAZTESA-N 2 0 301.438 2.211 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512794 1084451424 /nfs/dbraw/zinc/45/14/24/1084451424.db2.gz KMJKZZPCDQZXKO-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)[C@@H]1C ZINC001486087314 1085051273 /nfs/dbraw/zinc/05/12/73/1085051273.db2.gz IMSKUCCZUWAJHW-CRAIPNDOSA-N 2 0 322.412 2.088 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001486159349 1085098873 /nfs/dbraw/zinc/09/88/73/1085098873.db2.gz GEEKABIMYMGHJR-WMZOPIPTSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000964014834 1085146915 /nfs/dbraw/zinc/14/69/15/1085146915.db2.gz DUUIDMBOCHTBPW-WWDZGPRUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000964372874 1085193059 /nfs/dbraw/zinc/19/30/59/1085193059.db2.gz WTJZMXSQKYVUFB-UHFFFAOYSA-N 2 0 310.401 2.151 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001486448236 1085319465 /nfs/dbraw/zinc/31/94/65/1085319465.db2.gz FQOBPUSRSDGQOW-DOTOQJQBSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001494180009 1085500728 /nfs/dbraw/zinc/50/07/28/1085500728.db2.gz WETQANGNJXEQFW-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000965345655 1085593675 /nfs/dbraw/zinc/59/36/75/1085593675.db2.gz CDKPDZVZENJRCR-APUKJBRXSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180372 1085626822 /nfs/dbraw/zinc/62/68/22/1085626822.db2.gz GRZMAHPWJCAIFC-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001272968354 1085714562 /nfs/dbraw/zinc/71/45/62/1085714562.db2.gz XGFDURQHCPDQAM-RBSFLKMASA-N 2 0 302.422 2.060 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000963907146 1086594192 /nfs/dbraw/zinc/59/41/92/1086594192.db2.gz AWDWUZFEUKHDOC-GTPINHCMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000963933194 1086602726 /nfs/dbraw/zinc/60/27/26/1086602726.db2.gz FYSMMSOHGFCQPB-KZIPQDEESA-N 2 0 319.493 2.167 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079686618 1088318935 /nfs/dbraw/zinc/31/89/35/1088318935.db2.gz AOXBPIJVADIQLD-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085196968 1088606525 /nfs/dbraw/zinc/60/65/25/1088606525.db2.gz WZXHRSBYMLXEIE-ZACQAIPSSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403009 1090291162 /nfs/dbraw/zinc/29/11/62/1090291162.db2.gz BIJIZEKIHNXVLV-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4ccnc4)c3)[C@@H]2C1 ZINC001084753991 1090425467 /nfs/dbraw/zinc/42/54/67/1090425467.db2.gz RIASKZRNNKCFPL-SJLPKXTDSA-N 2 0 322.412 2.205 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274997471 1091505332 /nfs/dbraw/zinc/50/53/32/1091505332.db2.gz VGCNUAJZLKLXRZ-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1C#N ZINC001275373405 1091697428 /nfs/dbraw/zinc/69/74/28/1091697428.db2.gz GPBVEDSFBMBEBE-KDURUIRLSA-N 2 0 312.461 2.077 20 30 DEEDRP C=CCCCC[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273495025 1091882537 /nfs/dbraw/zinc/88/25/37/1091882537.db2.gz LUQWVMLUCZGIIY-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCCC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001275975400 1092414815 /nfs/dbraw/zinc/41/48/15/1092414815.db2.gz BFQOXELOVBMBIB-UHFFFAOYSA-N 2 0 310.445 2.208 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)CCC=C)CC1 ZINC001276011053 1092504605 /nfs/dbraw/zinc/50/46/05/1092504605.db2.gz KZYHYBVHJFXQDG-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001489327597 1093021940 /nfs/dbraw/zinc/02/19/40/1093021940.db2.gz AGSHGRMKCKGITN-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001490540825 1093404235 /nfs/dbraw/zinc/40/42/35/1093404235.db2.gz ZAUZZPLURROYDT-QZTJIDSGSA-N 2 0 321.509 2.489 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001490540824 1093404462 /nfs/dbraw/zinc/40/44/62/1093404462.db2.gz ZAUZZPLURROYDT-MSOLQXFVSA-N 2 0 321.509 2.489 20 30 DEEDRP C[NH+](C)CCN(Cc1ccc(Cl)cc1C#N)[C@H]1CCC[NH2+]C1 ZINC001236931575 1138460173 /nfs/dbraw/zinc/46/01/73/1138460173.db2.gz GIXKPBIJKMIONB-KRWDZBQOSA-N 2 0 320.868 2.327 20 30 DEEDRP C[NH+](C)CCN(Cc1cc(C#N)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC001236933727 1138461019 /nfs/dbraw/zinc/46/10/19/1138461019.db2.gz UFMWARARSPUPKM-INIZCTEOSA-N 2 0 320.868 2.327 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001281940583 1138845057 /nfs/dbraw/zinc/84/50/57/1138845057.db2.gz AIMUVZWRJUIORM-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001278276893 1138872728 /nfs/dbraw/zinc/87/27/28/1138872728.db2.gz ZCJBWZQUIQPPFL-FUHWJXTLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](CC)CC)CCC(F)(F)F ZINC001294256048 1139109073 /nfs/dbraw/zinc/10/90/73/1139109073.db2.gz UCWMLXQYMNTCGP-UHFFFAOYSA-N 2 0 323.403 2.227 20 30 DEEDRP C[NH2+]Cc1cccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001242997131 1140061250 /nfs/dbraw/zinc/06/12/50/1140061250.db2.gz GIUSMIXDPTWRNY-UHFFFAOYSA-N 2 0 306.413 2.354 20 30 DEEDRP C=C(C)CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001318714652 1140392207 /nfs/dbraw/zinc/39/22/07/1140392207.db2.gz RAXNXVDYLPIFDQ-SFHVURJKSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001319080547 1140500689 /nfs/dbraw/zinc/50/06/89/1140500689.db2.gz AVDVZVFLMOCSQK-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001319394158 1140561703 /nfs/dbraw/zinc/56/17/03/1140561703.db2.gz CGKCWWAMYIHVOR-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001319661591 1140647582 /nfs/dbraw/zinc/64/75/82/1140647582.db2.gz CQLTYAHDHSFUEB-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001319786770 1140714563 /nfs/dbraw/zinc/71/45/63/1140714563.db2.gz BOCOZLCIWQXZPZ-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001319891303 1140800907 /nfs/dbraw/zinc/80/09/07/1140800907.db2.gz TVERKRHUTRYZJB-IAGOWNOFSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001319943774 1140805802 /nfs/dbraw/zinc/80/58/02/1140805802.db2.gz LMVRGHWZWSJJPN-WBVHZDCISA-N 2 0 309.498 2.413 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024342 1140849384 /nfs/dbraw/zinc/84/93/84/1140849384.db2.gz UTAHIABLYQNQOX-SJORKVTESA-N 2 0 300.487 2.274 20 30 DEEDRP CC[C@@H]1CC(NC(=[NH2+])c2ccc(C(=O)OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246302644 1140882900 /nfs/dbraw/zinc/88/29/00/1140882900.db2.gz BMAGHKOTIZINFC-XYPWUTKMSA-N 2 0 317.433 2.488 20 30 DEEDRP N#Cc1ccc(C2CCC([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246645368 1141023527 /nfs/dbraw/zinc/02/35/27/1141023527.db2.gz UPOITQADDZIFFY-MHJFOBGBSA-N 2 0 324.472 2.222 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278468086 1141080724 /nfs/dbraw/zinc/08/07/24/1141080724.db2.gz XGZNPHROCXCUIJ-LZLYRXPVSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278468089 1141081224 /nfs/dbraw/zinc/08/12/24/1141081224.db2.gz XGZNPHROCXCUIJ-XYJFISCASA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321850526 1141354837 /nfs/dbraw/zinc/35/48/37/1141354837.db2.gz ZRAXHAOWNPKORP-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324206622 1142029937 /nfs/dbraw/zinc/02/99/37/1142029937.db2.gz LIKRQAWSZRAVJZ-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324206620 1142030542 /nfs/dbraw/zinc/03/05/42/1142030542.db2.gz LIKRQAWSZRAVJZ-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH]ccc-2n1)C1CCCC1 ZINC001324484436 1142086260 /nfs/dbraw/zinc/08/62/60/1142086260.db2.gz XKURWFPBXSRUNT-GOSISDBHSA-N 2 0 324.428 2.464 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278573289 1142217654 /nfs/dbraw/zinc/21/76/54/1142217654.db2.gz WYWWSJVTMQMXJH-HUUCEWRRSA-N 2 0 312.417 2.317 20 30 DEEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001252571750 1142768775 /nfs/dbraw/zinc/76/87/75/1142768775.db2.gz JSKJYNARNBDTJQ-HCXYKTFWSA-N 2 0 300.446 2.424 20 30 DEEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001252621101 1142793434 /nfs/dbraw/zinc/79/34/34/1142793434.db2.gz WHGJXTXMHPPVMF-GOSISDBHSA-N 2 0 310.482 2.042 20 30 DEEDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662229 1143304701 /nfs/dbraw/zinc/30/47/01/1143304701.db2.gz DFMLVEPFSYSWKM-INDMIFKZSA-N 2 0 317.477 2.359 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)CCCCC2CC[NH2+]CC2)CC1 ZINC001340855850 1143467247 /nfs/dbraw/zinc/46/72/47/1143467247.db2.gz XGNRWFMPVOSNLW-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001341805039 1143715199 /nfs/dbraw/zinc/71/51/99/1143715199.db2.gz HPGZFIQBQWUJSE-ROUUACIJSA-N 2 0 315.461 2.403 20 30 DEEDRP C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001342535156 1143822485 /nfs/dbraw/zinc/82/24/85/1143822485.db2.gz HBDGEWMNMOCBSH-OIISXLGYSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001258729460 1144036624 /nfs/dbraw/zinc/03/66/24/1144036624.db2.gz VIAXDWBFXRWYEF-INIZCTEOSA-N 2 0 317.477 2.165 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001263900385 1144421740 /nfs/dbraw/zinc/42/17/40/1144421740.db2.gz DQUVMMMVTSPENH-CGTJXYLNSA-N 2 0 319.493 2.169 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001264618927 1144579893 /nfs/dbraw/zinc/57/98/93/1144579893.db2.gz ZFTRSVLGVLUYJT-GVDBMIGSSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001265333688 1144694917 /nfs/dbraw/zinc/69/49/17/1144694917.db2.gz BMLNRJIAOLPROC-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265595262 1144716264 /nfs/dbraw/zinc/71/62/64/1144716264.db2.gz VQHKKQBZKVNUFG-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265626103 1144719107 /nfs/dbraw/zinc/71/91/07/1144719107.db2.gz OCGXEQNDYXOKNT-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+](CC)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266092360 1144804572 /nfs/dbraw/zinc/80/45/72/1144804572.db2.gz RMCDNONQFASBHI-UHFFFAOYSA-N 2 0 315.461 2.213 20 30 DEEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266144619 1144809501 /nfs/dbraw/zinc/80/95/01/1144809501.db2.gz WNIKYQYNJZDHJQ-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266144621 1144809504 /nfs/dbraw/zinc/80/95/04/1144809504.db2.gz WNIKYQYNJZDHJQ-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001279127064 1144818723 /nfs/dbraw/zinc/81/87/23/1144818723.db2.gz WMQRXNYEYYDFOU-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP 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 1144822194 /nfs/dbraw/zinc/82/21/94/1144822194.db2.gz ZIAUOTCASMFMJZ-FJIDUMEYSA-N 2 0 321.509 2.318 20 30 DEEDRP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001279589766 1144825293 /nfs/dbraw/zinc/82/52/93/1144825293.db2.gz ZMLOBEWOKXXUMK-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001279587493 1144825305 /nfs/dbraw/zinc/82/53/05/1144825305.db2.gz MWPFWCQCCZUQOQ-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001280449144 1144840283 /nfs/dbraw/zinc/84/02/83/1144840283.db2.gz LKLSCYARBOQCAJ-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001281963955 1144924399 /nfs/dbraw/zinc/92/43/99/1144924399.db2.gz ANEOBEMCBNAWTO-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001282819703 1145171731 /nfs/dbraw/zinc/17/17/31/1145171731.db2.gz DPWMNJOHDALGFL-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001282972945 1145221292 /nfs/dbraw/zinc/22/12/92/1145221292.db2.gz OSWWNNKYYNIPEV-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001284620157 1145880412 /nfs/dbraw/zinc/88/04/12/1145880412.db2.gz XPTMOPXEDQKINP-IAGOWNOFSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001365936963 1146923891 /nfs/dbraw/zinc/92/38/91/1146923891.db2.gz YQQYCXZCEHSUQU-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001492031843 1147069080 /nfs/dbraw/zinc/06/90/80/1147069080.db2.gz WPYCNGGCWFMNAV-ZDUSSCGKSA-N 2 0 309.479 2.484 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492154450 1147102563 /nfs/dbraw/zinc/10/25/63/1147102563.db2.gz NJROWAOCNINLME-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001366333600 1147220295 /nfs/dbraw/zinc/22/02/95/1147220295.db2.gz KNVJHCPTHLMRBL-SWLSCSKDSA-N 2 0 319.852 2.046 20 30 DEEDRP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001329341686 1147589727 /nfs/dbraw/zinc/58/97/27/1147589727.db2.gz DXDQVCCFHMXRFQ-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316881638 1147620359 /nfs/dbraw/zinc/62/03/59/1147620359.db2.gz QNLRNTIAXMNDQV-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316902872 1147627542 /nfs/dbraw/zinc/62/75/42/1147627542.db2.gz LSCVQRHGJPQHJY-QGZVFWFLSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316999205 1147646898 /nfs/dbraw/zinc/64/68/98/1147646898.db2.gz SZMSZZCSWRTVDX-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317036567 1147651175 /nfs/dbraw/zinc/65/11/75/1147651175.db2.gz GVMCVHDIPJDUGI-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317992218 1147764971 /nfs/dbraw/zinc/76/49/71/1147764971.db2.gz XTUYUZNCLHKMAI-IRXDYDNUSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318362523 1147816530 /nfs/dbraw/zinc/81/65/30/1147816530.db2.gz BIGRSTJETUJVDQ-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001325582538 1147955150 /nfs/dbraw/zinc/95/51/50/1147955150.db2.gz RIACXHUHVCBPMF-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001325581690 1147955216 /nfs/dbraw/zinc/95/52/16/1147955216.db2.gz NKGXBYKLJZVHSR-AEFFLSMTSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001326419824 1148096898 /nfs/dbraw/zinc/09/68/98/1148096898.db2.gz SEYBXRVBOHSWHX-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)ccn1 ZINC000193059004 282110569 /nfs/dbraw/zinc/11/05/69/282110569.db2.gz ZHHXUHYIFQROEB-HOCLYGCPSA-N 2 0 302.422 2.194 20 30 DEEDRP CCc1cnc(CNC(NC2CC[NH+](C(C)C)CC2)=[NH+]C)s1 ZINC000262335507 529645692 /nfs/dbraw/zinc/64/56/92/529645692.db2.gz BSQWNIMRAUCIKX-UHFFFAOYSA-N 2 0 323.510 2.243 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(C[NH3+])o1)C(C)C ZINC000236670052 539738958 /nfs/dbraw/zinc/73/89/58/539738958.db2.gz AMEBLYAUSXZUCO-HNNXBMFYSA-N 2 0 305.422 2.167 20 30 DEEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])NC3CC3)cc2)C1 ZINC000066243148 354705818 /nfs/dbraw/zinc/70/58/18/354705818.db2.gz YICCBVIHDIRYFI-AWEZNQCLSA-N 2 0 300.450 2.485 20 30 DEEDRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083052958 355462546 /nfs/dbraw/zinc/46/25/46/355462546.db2.gz AMCGANFHKBDVBC-HNNXBMFYSA-N 2 0 304.438 2.146 20 30 DEEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786432 357612975 /nfs/dbraw/zinc/61/29/75/357612975.db2.gz AKDAUTYZPVVOFI-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000595893100 358573899 /nfs/dbraw/zinc/57/38/99/358573899.db2.gz PFEIHUYLBVSICR-MOPGFXCFSA-N 2 0 313.445 2.319 20 30 DEEDRP N#Cc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000595896436 358574802 /nfs/dbraw/zinc/57/48/02/358574802.db2.gz OOGGOAAWJVAZBB-FHWLQOOXSA-N 2 0 313.445 2.319 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000602497896 360406234 /nfs/dbraw/zinc/40/62/34/360406234.db2.gz DVRMEAICNYHPHE-GOSISDBHSA-N 2 0 314.477 2.334 20 30 DEEDRP C[C@H](CCC#N)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000602617721 360458790 /nfs/dbraw/zinc/45/87/90/360458790.db2.gz ZLYHJUGTPZFOCS-QGZVFWFLSA-N 2 0 306.498 2.276 20 30 DEEDRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000611392155 361589391 /nfs/dbraw/zinc/58/93/91/361589391.db2.gz MXVNEAWRLIHTSI-HNAYVOBHSA-N 2 0 312.461 2.161 20 30 DEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CCOC)cc1 ZINC000268840542 207006964 /nfs/dbraw/zinc/00/69/64/207006964.db2.gz UEGHSEFLYCYIEK-MRXNPFEDSA-N 2 0 304.434 2.318 20 30 DEEDRP CN(c1cccc(F)c1C#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372605875 133360392 /nfs/dbraw/zinc/36/03/92/133360392.db2.gz LHNKUCHXHZRSEP-HNNXBMFYSA-N 2 0 316.424 2.302 20 30 DEEDRP CN1CC[NH+](CC2CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000349037354 146342416 /nfs/dbraw/zinc/34/24/16/146342416.db2.gz SGWIRTJAHQSEID-UHFFFAOYSA-N 2 0 318.490 2.079 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000074132482 401731039 /nfs/dbraw/zinc/73/10/39/401731039.db2.gz ACQHPAFOHKFKGN-INIZCTEOSA-N 2 0 322.497 2.010 20 30 DEEDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C#N)s2)ccn1 ZINC000136225228 401963902 /nfs/dbraw/zinc/96/39/02/401963902.db2.gz GJPIZYOQQAKCRR-UHFFFAOYSA-N 2 0 316.430 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000106323219 402212473 /nfs/dbraw/zinc/21/24/73/402212473.db2.gz IEZHXKDEUGEYQU-MRXNPFEDSA-N 2 0 322.497 2.058 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC1CC[NH2+]CC1)C(C)C ZINC000236655838 402371833 /nfs/dbraw/zinc/37/18/33/402371833.db2.gz NASMTGBTUKTDOF-KRWDZBQOSA-N 2 0 307.482 2.191 20 30 DEEDRP CC[NH+]=C(NCc1ccsc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262025077 402721452 /nfs/dbraw/zinc/72/14/52/402721452.db2.gz ZMPCIXWBSGEYQG-SWLSCSKDSA-N 2 0 306.479 2.286 20 30 DEEDRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000194260532 402789557 /nfs/dbraw/zinc/78/95/57/402789557.db2.gz AWPYBPNHRDJBMO-LPHOPBHVSA-N 2 0 314.477 2.481 20 30 DEEDRP C[C@H](CCC#N)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000298636808 403429319 /nfs/dbraw/zinc/42/93/19/403429319.db2.gz WKIJFJMYRWMPTA-GOSISDBHSA-N 2 0 314.477 2.428 20 30 DEEDRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000332030851 403465759 /nfs/dbraw/zinc/46/57/59/403465759.db2.gz SRGABNGWZNVJCX-KRWDZBQOSA-N 2 0 314.433 2.303 20 30 DEEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343581824 403649929 /nfs/dbraw/zinc/64/99/29/403649929.db2.gz PBIKMDOLCJRPPN-MRXNPFEDSA-N 2 0 322.497 2.048 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)C(C)C ZINC000291990199 404615867 /nfs/dbraw/zinc/61/58/67/404615867.db2.gz BBONVRPXOUZUNJ-DLBZAZTESA-N 2 0 307.482 2.333 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357751054 404743066 /nfs/dbraw/zinc/74/30/66/404743066.db2.gz SQEFEJPLVIVAER-OAHLLOKOSA-N 2 0 310.486 2.055 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000358409060 404761814 /nfs/dbraw/zinc/76/18/14/404761814.db2.gz VTEVXAIDJTXXLN-UHFFFAOYSA-N 2 0 322.497 2.010 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000417057954 405022414 /nfs/dbraw/zinc/02/24/14/405022414.db2.gz CUEHGTKPTUJJJB-KRWDZBQOSA-N 2 0 322.497 2.078 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000424157630 405025658 /nfs/dbraw/zinc/02/56/58/405025658.db2.gz NKBKQAVDDYFFEY-GFCCVEGCSA-N 2 0 314.311 2.124 20 30 DEEDRP CC(C)[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CC[NH+](C)CC1 ZINC000421332012 405464883 /nfs/dbraw/zinc/46/48/83/405464883.db2.gz KZADDMOROJKRTP-SFHVURJKSA-N 2 0 318.440 2.059 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423495160 405826702 /nfs/dbraw/zinc/82/67/02/405826702.db2.gz DYJMKSVVNZMSPO-MJGOQNOKSA-N 2 0 312.461 2.240 20 30 DEEDRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000181689855 287035461 /nfs/dbraw/zinc/03/54/61/287035461.db2.gz JFINPSREWZEADB-JKSUJKDBSA-N 2 0 300.450 2.092 20 30 DEEDRP CN(C)C(=[NH+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000261965844 225260932 /nfs/dbraw/zinc/26/09/32/225260932.db2.gz BDXKHOBZILZQHV-QGZVFWFLSA-N 2 0 302.466 2.030 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCC[NH2+]1 ZINC000662662815 425706909 /nfs/dbraw/zinc/70/69/09/425706909.db2.gz WUBSILIREDMYDV-CZUORRHYSA-N 2 0 307.463 2.165 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCC[NH2+]1 ZINC000662680727 425710470 /nfs/dbraw/zinc/71/04/70/425710470.db2.gz WNOPUKSREAGWEH-WMZOPIPTSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877268 425754487 /nfs/dbraw/zinc/75/44/87/425754487.db2.gz HMXDOKYDBFUOPS-CRAIPNDOSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877271 425755411 /nfs/dbraw/zinc/75/54/11/425755411.db2.gz HMXDOKYDBFUOPS-QAPCUYQASA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000417069957 277851648 /nfs/dbraw/zinc/85/16/48/277851648.db2.gz UXZZSKRUWMNHPA-IXDOHACOSA-N 2 0 322.497 2.125 20 30 DEEDRP CN1CC[NH+]=C1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261548122 341302717 /nfs/dbraw/zinc/30/27/17/341302717.db2.gz NAVFWUFWSPENJZ-QGZVFWFLSA-N 2 0 300.450 2.180 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089060983 782142032 /nfs/dbraw/zinc/14/20/32/782142032.db2.gz QWMTUIZFMQOPSB-IXDOHACOSA-N 2 0 307.482 2.406 20 30 DEEDRP C[C@H](CCC#N)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000411296915 533786965 /nfs/dbraw/zinc/78/69/65/533786965.db2.gz SRZGOCACODCGTA-OAHLLOKOSA-N 2 0 322.497 2.095 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001378889055 1152479820 /nfs/dbraw/zinc/47/98/20/1152479820.db2.gz BXNRLJNAPLQYHH-KBUPBQIOSA-N 2 0 313.873 2.096 20 30 DEEDRP C[NH+]=C(NCC1CCSCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000262809908 526352453 /nfs/dbraw/zinc/35/24/53/526352453.db2.gz UABOFZQBDDRRJY-UHFFFAOYSA-N 2 0 324.538 2.169 20 30 DEEDRP C[NH+]=C(NCc1cccs1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262494969 526386177 /nfs/dbraw/zinc/38/61/77/526386177.db2.gz WCXAKICSAAQVFV-CQSZACIVSA-N 2 0 306.479 2.384 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262570079 528253762 /nfs/dbraw/zinc/25/37/62/528253762.db2.gz YWGADFHHKXBXFE-ZBFHGGJFSA-N 2 0 316.449 2.146 20 30 DEEDRP CC(C)[NH+]1CCC(N2CC[NH+](CCCSCC#N)CC2)CC1 ZINC000336856684 528992456 /nfs/dbraw/zinc/99/24/56/528992456.db2.gz NPCDFYBANJJXPE-UHFFFAOYSA-N 2 0 324.538 2.124 20 30 DEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449131860 535706713 /nfs/dbraw/zinc/70/67/13/535706713.db2.gz PZPXDNWVCVZRBS-AOCRQIFASA-N 2 0 306.498 2.322 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001327540265 1148582480 /nfs/dbraw/zinc/58/24/80/1148582480.db2.gz IABIVJMWSQQUQR-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001368729788 1148622209 /nfs/dbraw/zinc/62/22/09/1148622209.db2.gz YHKXTNXSEVXZKT-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001327883360 1148667268 /nfs/dbraw/zinc/66/72/68/1148667268.db2.gz TWDVJUNFANPTBT-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001026304922 625283165 /nfs/dbraw/zinc/28/31/65/625283165.db2.gz RUYQATNNHSGHAT-RYQLBKOJSA-N 2 0 324.428 2.351 20 30 DEEDRP 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 625352106 /nfs/dbraw/zinc/35/21/06/625352106.db2.gz HCPPSCRZXQHEIA-GVDBMIGSSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972648114 625403593 /nfs/dbraw/zinc/40/35/93/625403593.db2.gz FHZXQRMZZSVFCA-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C[NH+]=C(NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)NC1CC1 ZINC000186890381 625410948 /nfs/dbraw/zinc/41/09/48/625410948.db2.gz BKDTYAYHRUSKNE-QGZVFWFLSA-N 2 0 300.450 2.224 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025458757 625451746 /nfs/dbraw/zinc/45/17/46/625451746.db2.gz CKDDRNJJYLFTCW-GOEBONIOSA-N 2 0 324.428 2.106 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000969156361 622597177 /nfs/dbraw/zinc/59/71/77/622597177.db2.gz RBAOHOADVQPCRN-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970911650 623785762 /nfs/dbraw/zinc/78/57/62/623785762.db2.gz BAHNDWYYJYTDOG-OAHLLOKOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947474028 624642463 /nfs/dbraw/zinc/64/24/63/624642463.db2.gz PNAUATNSIWBNFU-ZFWWWQNUSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845750 624643067 /nfs/dbraw/zinc/64/30/67/624643067.db2.gz ZYFMWBSCPUEUJE-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[C@@H]1CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000934459027 624882317 /nfs/dbraw/zinc/88/23/17/624882317.db2.gz AWDAZCDLBYIGPE-SJORKVTESA-N 2 0 301.434 2.056 20 30 DEEDRP C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024751020 625035711 /nfs/dbraw/zinc/03/57/11/625035711.db2.gz AYVFVSNVHCRSBC-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023372426 625243512 /nfs/dbraw/zinc/24/35/12/625243512.db2.gz SJEIHQGEYOAXGK-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024446380 625771026 /nfs/dbraw/zinc/77/10/26/625771026.db2.gz CFNUBMAAIUVZCB-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024477158 625803536 /nfs/dbraw/zinc/80/35/36/625803536.db2.gz KAGYKSVGKNXCNE-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024477156 625803604 /nfs/dbraw/zinc/80/36/04/625803604.db2.gz KAGYKSVGKNXCNE-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001024479229 625804608 /nfs/dbraw/zinc/80/46/08/625804608.db2.gz CPQCXLKZMQZMAQ-HZPDHXFCSA-N 2 0 316.449 2.307 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001019823405 625838607 /nfs/dbraw/zinc/83/86/07/625838607.db2.gz HWQLSCLIRJHPCE-LSDHHAIUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999346310 634567680 /nfs/dbraw/zinc/56/76/80/634567680.db2.gz DEKLDKMVXGDXTN-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000999554197 634626164 /nfs/dbraw/zinc/62/61/64/634626164.db2.gz BXNYHTHWPMKPMM-OAHLLOKOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586853 633166237 /nfs/dbraw/zinc/16/62/37/633166237.db2.gz KQXWDVUGXIUEMJ-IRXDYDNUSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000788073489 633539791 /nfs/dbraw/zinc/53/97/91/633539791.db2.gz ZUHHRMDYVDEDFE-UHFFFAOYSA-N 2 0 310.825 2.020 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997279985 633694652 /nfs/dbraw/zinc/69/46/52/633694652.db2.gz LIJJKPGMMZUTSQ-CQSZACIVSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027408962 633748346 /nfs/dbraw/zinc/74/83/46/633748346.db2.gz APZNHJZEIDPWPK-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027442152 633795316 /nfs/dbraw/zinc/79/53/16/633795316.db2.gz BRQODCFYGLBELI-CABCVRRESA-N 2 0 313.873 2.002 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473155 633855597 /nfs/dbraw/zinc/85/55/97/633855597.db2.gz GECMPMQGYOQGRR-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480886 633864949 /nfs/dbraw/zinc/86/49/49/633864949.db2.gz NAHANPKFCSBQSM-INIZCTEOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977653265 634083003 /nfs/dbraw/zinc/08/30/03/634083003.db2.gz IIABYVNAMXTZDM-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998020079 634114558 /nfs/dbraw/zinc/11/45/58/634114558.db2.gz UPRAPAXTADHLCO-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575650 634181042 /nfs/dbraw/zinc/18/10/42/634181042.db2.gz BTNJMJLYSFFNRD-CABCVRRESA-N 2 0 313.873 2.146 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602069 634255747 /nfs/dbraw/zinc/25/57/47/634255747.db2.gz KRCCBLYJKWBQCF-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168303 634872737 /nfs/dbraw/zinc/87/27/37/634872737.db2.gz MNDVUCAHEOCUEV-ULQDDVLXSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244788 634909245 /nfs/dbraw/zinc/90/92/45/634909245.db2.gz YXRBJMDHFWPJDC-RCCFBDPRSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000333782 635145079 /nfs/dbraw/zinc/14/50/79/635145079.db2.gz SGBJCVZBPYCXMF-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001000671473 635271950 /nfs/dbraw/zinc/27/19/50/635271950.db2.gz HIQFTLPYPQGKCC-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000981180623 635347484 /nfs/dbraw/zinc/34/74/84/635347484.db2.gz DUNDERTVMGJXSD-LSDHHAIUSA-N 2 0 312.417 2.459 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001001006471 635377452 /nfs/dbraw/zinc/37/74/52/635377452.db2.gz GUJPZKPUHNOAIO-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981364360 635454283 /nfs/dbraw/zinc/45/42/83/635454283.db2.gz NFVATDKQTLVSLJ-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000981434477 635478336 /nfs/dbraw/zinc/47/83/36/635478336.db2.gz UKEGLUREZAOVRB-IAGOWNOFSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911793 635574533 /nfs/dbraw/zinc/57/45/33/635574533.db2.gz PRYOKESHZOVFOX-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001002160215 635630099 /nfs/dbraw/zinc/63/00/99/635630099.db2.gz VGGSDKCPQNGWRY-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001003142995 635915583 /nfs/dbraw/zinc/91/55/83/635915583.db2.gz FVMHNXHHEUDDFF-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235392 635936729 /nfs/dbraw/zinc/93/67/29/635936729.db2.gz WLWMTHKJAGIUNW-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774536 636122543 /nfs/dbraw/zinc/12/25/43/636122543.db2.gz BAUBDLWHLMZFES-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594513 636464302 /nfs/dbraw/zinc/46/43/02/636464302.db2.gz HQLPNQVCWCLSNM-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004476675 636465127 /nfs/dbraw/zinc/46/51/27/636465127.db2.gz ZBXCDCQDDIDOOQ-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005590638 636791674 /nfs/dbraw/zinc/79/16/74/636791674.db2.gz BEECABHPZYKAKB-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921217 636854669 /nfs/dbraw/zinc/85/46/69/636854669.db2.gz NEIUBSMPTVZSED-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000923354081 637134749 /nfs/dbraw/zinc/13/47/49/637134749.db2.gz QBPAUEVYPFLPGX-GOSISDBHSA-N 2 0 301.434 2.433 20 30 DEEDRP C#CC[NH+]1CCC(NC(=O)CCC[NH+](CCC)CCC)CC1 ZINC000928658230 639232163 /nfs/dbraw/zinc/23/21/63/639232163.db2.gz NJJXFGZFHBFIJG-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000985803119 639644757 /nfs/dbraw/zinc/64/47/57/639644757.db2.gz BPRXWVDHNUHMAJ-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000986954862 640025079 /nfs/dbraw/zinc/02/50/79/640025079.db2.gz DYBSPJIALHSTTN-YJBOKZPZSA-N 2 0 315.461 2.169 20 30 DEEDRP CC1(C)CC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC(C)(C)[NH2+]1 ZINC000763227077 640519597 /nfs/dbraw/zinc/51/95/97/640519597.db2.gz UBQGHADWWJFKES-MRXNPFEDSA-N 2 0 301.434 2.490 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000990634119 641564331 /nfs/dbraw/zinc/56/43/31/641564331.db2.gz BGYNZYNERVFXPW-XYJFISCASA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759596 641946158 /nfs/dbraw/zinc/94/61/58/641946158.db2.gz DQHUJRKLTSUDTL-UIBIWLFHSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902813988 643155149 /nfs/dbraw/zinc/15/51/49/643155149.db2.gz KYEBYLVTKZZMIY-IAGOWNOFSA-N 2 0 310.482 2.327 20 30 DEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991624467 646549004 /nfs/dbraw/zinc/54/90/04/646549004.db2.gz MVWDMMJIDRYLPD-IEBWSBKVSA-N 2 0 322.412 2.084 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805954 647746751 /nfs/dbraw/zinc/74/67/51/647746751.db2.gz NTQVHQZRTAYNAF-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939448637 648652884 /nfs/dbraw/zinc/65/28/84/648652884.db2.gz SJMUMYYYVZOAPI-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940785582 648941521 /nfs/dbraw/zinc/94/15/21/648941521.db2.gz OIHWHURKPBQCJT-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257190 649192136 /nfs/dbraw/zinc/19/21/36/649192136.db2.gz KYQWVCIRAVEAFQ-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C[NH+]=C(NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)NC1CC1 ZINC000848998756 651577024 /nfs/dbraw/zinc/57/70/24/651577024.db2.gz RBPWLWFNKRDAGZ-QGZVFWFLSA-N 2 0 300.450 2.459 20 30 DEEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000849000023 651577699 /nfs/dbraw/zinc/57/76/99/651577699.db2.gz HCDKTTNDZJFDHT-JKSUJKDBSA-N 2 0 310.486 2.324 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600904 651955001 /nfs/dbraw/zinc/95/50/01/651955001.db2.gz YTLCRPPGAIXMLV-SFHVURJKSA-N 2 0 301.434 2.398 20 30 DEEDRP C=CC[C@H]1CCCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853536563 652564473 /nfs/dbraw/zinc/56/44/73/652564473.db2.gz DREISUGCDRNDHB-MAUKXSAKSA-N 2 0 319.449 2.149 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054153605 693865405 /nfs/dbraw/zinc/86/54/05/693865405.db2.gz UXZQHTQXCQCWAC-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054228561 693891057 /nfs/dbraw/zinc/89/10/57/693891057.db2.gz SWKXYUFTHNSBRB-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303864929 685236795 /nfs/dbraw/zinc/23/67/95/685236795.db2.gz BISMQULUEUKINO-QGZVFWFLSA-N 2 0 302.466 2.254 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001054969217 694084623 /nfs/dbraw/zinc/08/46/23/694084623.db2.gz PBASFCJARDESST-OCCSQVGLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015797055 687425494 /nfs/dbraw/zinc/42/54/94/687425494.db2.gz WJEOPALBWUVIDS-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015840112 687438703 /nfs/dbraw/zinc/43/87/03/687438703.db2.gz TUSFVUSLPRZJGB-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016319251 687590844 /nfs/dbraw/zinc/59/08/44/687590844.db2.gz ATAQLYACFWHTPF-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016651470 687674557 /nfs/dbraw/zinc/67/45/57/687674557.db2.gz IGLZKKIWMXQFNJ-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016651475 687674868 /nfs/dbraw/zinc/67/48/68/687674868.db2.gz IGLZKKIWMXQFNJ-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016700109 687685380 /nfs/dbraw/zinc/68/53/80/687685380.db2.gz BQHNZRGRPIUVJA-SJORKVTESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001032218954 689085704 /nfs/dbraw/zinc/08/57/04/689085704.db2.gz HHRUDLYGQOCGQI-UHFFFAOYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033125433 689397668 /nfs/dbraw/zinc/39/76/68/689397668.db2.gz DSBPMUADQVQTRN-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223695 689430264 /nfs/dbraw/zinc/43/02/64/689430264.db2.gz TVTZVYYKIYRXCU-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033350445 689473120 /nfs/dbraw/zinc/47/31/20/689473120.db2.gz BFLQBULGZYDZGR-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217034 689766286 /nfs/dbraw/zinc/76/62/86/689766286.db2.gz OHBFCMHFQQWKHK-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034367192 689825365 /nfs/dbraw/zinc/82/53/65/689825365.db2.gz FJBBVANKOFMBOI-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474995 689863777 /nfs/dbraw/zinc/86/37/77/689863777.db2.gz OMPSRAIHGWZDEG-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000876717398 689914048 /nfs/dbraw/zinc/91/40/48/689914048.db2.gz DKTNJGWQCIBXNT-HNNXBMFYSA-N 2 0 313.873 2.181 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000876724705 689915915 /nfs/dbraw/zinc/91/59/15/689915915.db2.gz GKGDLYFYULXAKU-UONOGXRCSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000876765016 689930188 /nfs/dbraw/zinc/93/01/88/689930188.db2.gz YHVAAXMSWMOHTR-KGLIPLIRSA-N 2 0 315.889 2.473 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000876769665 689931941 /nfs/dbraw/zinc/93/19/41/689931941.db2.gz XGLYBJXVVKRWCA-JKSUJKDBSA-N 2 0 321.852 2.237 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877120434 690023003 /nfs/dbraw/zinc/02/30/03/690023003.db2.gz ROIMEEWMYHTDAW-CVEARBPZSA-N 2 0 321.852 2.095 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCC[NH2+]1 ZINC000877192863 690042276 /nfs/dbraw/zinc/04/22/76/690042276.db2.gz RRNXBYZYOIAJDH-GOSISDBHSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC2 ZINC001035195754 690056342 /nfs/dbraw/zinc/05/63/42/690056342.db2.gz IDPZCGBRNWWYPF-HUUCEWRRSA-N 2 0 314.433 2.014 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035709590 690157360 /nfs/dbraw/zinc/15/73/60/690157360.db2.gz ZNDVMXHAXXORGF-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036832482 690492348 /nfs/dbraw/zinc/49/23/48/690492348.db2.gz CFXXDJUAVGOJIW-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001037885050 690632795 /nfs/dbraw/zinc/63/27/95/690632795.db2.gz NIWSLOOLFNHBNL-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038246097 690755801 /nfs/dbraw/zinc/75/58/01/690755801.db2.gz BOPGUIASWQRGFG-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140453 691031918 /nfs/dbraw/zinc/03/19/18/691031918.db2.gz VGTYGOBBBRZVAZ-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173090 691039411 /nfs/dbraw/zinc/03/94/11/691039411.db2.gz NGGRZUQKWCMESR-ROUUACIJSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039294924 691076227 /nfs/dbraw/zinc/07/62/27/691076227.db2.gz VKAWJPPNBNBDGG-HMQMGEFJSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001039298431 691076691 /nfs/dbraw/zinc/07/66/91/691076691.db2.gz WOSOGQNGFKSVNG-MGNMYUMUSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039312877 691079097 /nfs/dbraw/zinc/07/90/97/691079097.db2.gz XSQISVMIUHWQRZ-ALOPSCKCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039386398 691094782 /nfs/dbraw/zinc/09/47/82/691094782.db2.gz NCCZJHHEDYCMNV-KURKYZTESA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040240153 691218279 /nfs/dbraw/zinc/21/82/79/691218279.db2.gz CHSYFRPJJNDATP-MJGOQNOKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492405 691255881 /nfs/dbraw/zinc/25/58/81/691255881.db2.gz AGOKTNLFFDEOHE-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040936979 691299818 /nfs/dbraw/zinc/29/98/18/691299818.db2.gz RZQVTMCIVRIZEY-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041301316 691357829 /nfs/dbraw/zinc/35/78/29/691357829.db2.gz LLUKPFOIIAITRI-SCTDSRPQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041408132 691372091 /nfs/dbraw/zinc/37/20/91/691372091.db2.gz KWZMMPBEFSQZPR-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723559 691417567 /nfs/dbraw/zinc/41/75/67/691417567.db2.gz IVSFNQNVZCNQDC-MJGOQNOKSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCN(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000883131091 691435833 /nfs/dbraw/zinc/43/58/33/691435833.db2.gz FVTJLTSKXFWXSZ-UHFFFAOYSA-N 2 0 314.408 2.271 20 30 DEEDRP N#CC1(C[C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000885956165 691971197 /nfs/dbraw/zinc/97/11/97/691971197.db2.gz KUIJBVABZQZRJV-QGZVFWFLSA-N 2 0 305.466 2.239 20 30 DEEDRP C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000886316757 692054146 /nfs/dbraw/zinc/05/41/46/692054146.db2.gz LWUBRPAXGQGWCN-RDJZCZTQSA-N 2 0 314.433 2.037 20 30 DEEDRP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045966922 692064040 /nfs/dbraw/zinc/06/40/40/692064040.db2.gz JPLWJWJRAIPCDA-PKOBYXMFSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048871145 692713736 /nfs/dbraw/zinc/71/37/36/692713736.db2.gz JOETZUXGOJSNBF-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235797 692796483 /nfs/dbraw/zinc/79/64/83/692796483.db2.gz SCYLJAVXLGKWEO-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535235 692915418 /nfs/dbraw/zinc/91/54/18/692915418.db2.gz ZGXFRJNHUXBAJC-IKGGRYGDSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050521063 693199671 /nfs/dbraw/zinc/19/96/71/693199671.db2.gz UCDLPWCPTFAXOD-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050554519 693205868 /nfs/dbraw/zinc/20/58/68/693205868.db2.gz YAAOWCNNNWNYRD-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764966 693246176 /nfs/dbraw/zinc/24/61/76/693246176.db2.gz DVNUWCDOQVKLQR-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCOc1ccc([C@H](C)NC[C@H](C[NH+](C)C)OCC)cc1 ZINC000926962383 693536783 /nfs/dbraw/zinc/53/67/83/693536783.db2.gz LNFZEKCHVDUPQQ-MAUKXSAKSA-N 2 0 304.434 2.316 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052446293 693537842 /nfs/dbraw/zinc/53/78/42/693537842.db2.gz YNNLKVBNIOHOJQ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487481 693546530 /nfs/dbraw/zinc/54/65/30/693546530.db2.gz YTZITECNYYGGPT-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052499343 693550381 /nfs/dbraw/zinc/55/03/81/693550381.db2.gz UBABXUXEUZVPGE-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[N@@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001332711268 1149882974 /nfs/dbraw/zinc/88/29/74/1149882974.db2.gz PQERGMNDKKLKKW-UHFFFAOYSA-N 2 0 312.417 2.058 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001332810619 1149895038 /nfs/dbraw/zinc/89/50/38/1149895038.db2.gz TZWKUOAGJFRNLR-XHSDSOJGSA-N 2 0 309.498 2.413 20 30 DEEDRP CC(C)[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C[C@@H]2CCOC2)C1 ZINC001346082358 1150940008 /nfs/dbraw/zinc/94/00/08/1150940008.db2.gz YADOMBHVZGILSN-CVEARBPZSA-N 2 0 324.513 2.087 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001351165814 1151481328 /nfs/dbraw/zinc/48/13/28/1151481328.db2.gz QJVIGZWQLWWEGT-NUJGCVRESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001402682173 1162441511 /nfs/dbraw/zinc/44/15/11/1162441511.db2.gz FZMDUJZHUZXVIC-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001353469115 1151832515 /nfs/dbraw/zinc/83/25/15/1151832515.db2.gz NZQCMFKXOYYAFI-INIZCTEOSA-N 2 0 305.422 2.249 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480547447 1152583017 /nfs/dbraw/zinc/58/30/17/1152583017.db2.gz AHEHOBKPPDLWFQ-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001381277533 1152979887 /nfs/dbraw/zinc/97/98/87/1152979887.db2.gz DHNHKXYVBNEYDJ-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001394414084 1158502076 /nfs/dbraw/zinc/50/20/76/1158502076.db2.gz WQDGROBSNNBYQO-LSDHHAIUSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001398835664 1161117224 /nfs/dbraw/zinc/11/72/24/1161117224.db2.gz GSVUAZXRSYSDPA-UHFFFAOYSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001400861714 1161836722 /nfs/dbraw/zinc/83/67/22/1161836722.db2.gz XEWJYVSWXGBTDU-HUUCEWRRSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001403951953 1163325578 /nfs/dbraw/zinc/32/55/78/1163325578.db2.gz BKMJJYNIMJCJFT-STQMWFEESA-N 2 0 303.878 2.200 20 30 DEEDRP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001404618476 1163754957 /nfs/dbraw/zinc/75/49/57/1163754957.db2.gz ALSCROQSILHIGS-HNNXBMFYSA-N 2 0 315.889 2.250 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420077929 1169144513 /nfs/dbraw/zinc/14/45/13/1169144513.db2.gz CKZUTEUDXAPONN-KGLIPLIRSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001438442997 1180434297 /nfs/dbraw/zinc/43/42/97/1180434297.db2.gz GOHLWNSHGFOWSJ-RBSFLKMASA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001438699139 1180772144 /nfs/dbraw/zinc/77/21/44/1180772144.db2.gz YDEULYXWMYXCHV-LSDHHAIUSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438771284 1180808341 /nfs/dbraw/zinc/80/83/41/1180808341.db2.gz PJJDFDWRATYUMZ-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001441034023 1181831757 /nfs/dbraw/zinc/83/17/57/1181831757.db2.gz KBCUHHBLNZLRJY-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001446960649 1184592366 /nfs/dbraw/zinc/59/23/66/1184592366.db2.gz YFTHYMGUESJNLA-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001332012956 1149808141 /nfs/dbraw/zinc/80/81/41/1149808141.db2.gz HHTSILRSBBYXEU-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099199767 782524424 /nfs/dbraw/zinc/52/44/24/782524424.db2.gz QVKGTSOVHWCVDT-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246217 782566940 /nfs/dbraw/zinc/56/69/40/782566940.db2.gz IUKUBKUAJLCKPH-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229223 782731513 /nfs/dbraw/zinc/73/15/13/782731513.db2.gz HSDUSSNCDFQPKV-SJORKVTESA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559681 783205287 /nfs/dbraw/zinc/20/52/87/783205287.db2.gz RAWXBVCVSZWLFK-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947727192 783215709 /nfs/dbraw/zinc/21/57/09/783215709.db2.gz WEEWWWMPJPHDDZ-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001100438055 776801194 /nfs/dbraw/zinc/80/11/94/776801194.db2.gz NEPHYEMSHHLHHD-UHFFFAOYSA-N 2 0 319.493 2.313 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167466244 777114714 /nfs/dbraw/zinc/11/47/14/777114714.db2.gz IIRCPNNXVSSAIU-KRWDZBQOSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524468 778483648 /nfs/dbraw/zinc/48/36/48/778483648.db2.gz QABFFSOSWFIEIB-SCTDSRPQSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572560 779357272 /nfs/dbraw/zinc/35/72/72/779357272.db2.gz WRRYQTLPJYRFKY-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636354 779388494 /nfs/dbraw/zinc/38/84/94/779388494.db2.gz MJEGFLHFNMCVDP-BBWFWOEESA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640817 779393201 /nfs/dbraw/zinc/39/32/01/779393201.db2.gz YMTUSOXGSQNEAB-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840654 779479424 /nfs/dbraw/zinc/47/94/24/779479424.db2.gz ICXCEBWBHCQLND-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000985493926 779865643 /nfs/dbraw/zinc/86/56/43/779865643.db2.gz QQYSJNUTATWBRC-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088317029 779941013 /nfs/dbraw/zinc/94/10/13/779941013.db2.gz PQIYOXVEODCFDA-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001088333456 779978849 /nfs/dbraw/zinc/97/88/49/779978849.db2.gz KJTURWYRAAWGBA-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001088393641 780066083 /nfs/dbraw/zinc/06/60/83/780066083.db2.gz KKGQRIQLNAWSFY-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947882542 783254934 /nfs/dbraw/zinc/25/49/34/783254934.db2.gz UXEDDNKLAWNCLA-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385898 783449016 /nfs/dbraw/zinc/44/90/16/783449016.db2.gz QVKOEWHGSJOFRX-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP 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 783552881 /nfs/dbraw/zinc/55/28/81/783552881.db2.gz PLHIPWBTKAPCRR-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967092178 783880418 /nfs/dbraw/zinc/88/04/18/783880418.db2.gz WMENSYSLDFZOSA-GUYCJALGSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686659 783965404 /nfs/dbraw/zinc/96/54/04/783965404.db2.gz YZFRBPQZJOELQJ-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001085826713 784112354 /nfs/dbraw/zinc/11/23/54/784112354.db2.gz VYBGXDDOKJKNPT-BZUAXINKSA-N 2 0 316.449 2.023 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085987697 784284409 /nfs/dbraw/zinc/28/44/09/784284409.db2.gz JJQDRIWDBPMIKM-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968377570 784337740 /nfs/dbraw/zinc/33/77/40/784337740.db2.gz JMKGIFCVLXLGII-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417832 784372939 /nfs/dbraw/zinc/37/29/39/784372939.db2.gz GVBMONNIXMCNIL-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968497963 784427179 /nfs/dbraw/zinc/42/71/79/784427179.db2.gz UILZXIHMKMQPNN-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086133979 784429031 /nfs/dbraw/zinc/42/90/31/784429031.db2.gz MMVDKIURUHHPOQ-IXDOHACOSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516440 784438637 /nfs/dbraw/zinc/43/86/37/784438637.db2.gz AZAWMPSCSJMXFH-MAUKXSAKSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175239 784465436 /nfs/dbraw/zinc/46/54/36/784465436.db2.gz MQQCUKNDQFTLBW-ZACQAIPSSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611500 784577071 /nfs/dbraw/zinc/57/70/71/784577071.db2.gz GUCQIIQNYZUTNK-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882040 784635343 /nfs/dbraw/zinc/63/53/43/784635343.db2.gz FWNWMNIRZFYUHC-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086387850 784641465 /nfs/dbraw/zinc/64/14/65/784641465.db2.gz XQVBTNHAVUMSPL-BQFCYCMXSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968991002 784682782 /nfs/dbraw/zinc/68/27/82/784682782.db2.gz SZDOUNVJFCBLIP-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)C(C)C)CC1 ZINC001074103202 791055830 /nfs/dbraw/zinc/05/58/30/791055830.db2.gz YWNZVIOSEYWFLC-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171237066 791082990 /nfs/dbraw/zinc/08/29/90/791082990.db2.gz OKNCCSBQZDTEFT-ZWKOTPCHSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001108756925 785525602 /nfs/dbraw/zinc/52/56/02/785525602.db2.gz ZCTSQBYBGHTIQI-SZMVWBNQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765906 785532723 /nfs/dbraw/zinc/53/27/23/785532723.db2.gz UKPPGOUPOQPDEV-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828262 785567053 /nfs/dbraw/zinc/56/70/53/785567053.db2.gz JUGUFIZFPMSRAF-BBWFWOEESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001113057537 786383960 /nfs/dbraw/zinc/38/39/60/786383960.db2.gz VSUJYLCCSXPLKR-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146524 786417414 /nfs/dbraw/zinc/41/74/14/786417414.db2.gz FRNQOBZXXMWFET-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724329 786724916 /nfs/dbraw/zinc/72/49/16/786724916.db2.gz UHANWYRJCSJWQI-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203332117 786838415 /nfs/dbraw/zinc/83/84/15/786838415.db2.gz LMMDJAURZVPCTM-DLBZAZTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130656310 787452683 /nfs/dbraw/zinc/45/26/83/787452683.db2.gz PHAUSUKWLNYERH-CYBMUJFWSA-N 2 0 300.406 2.317 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815580 787756690 /nfs/dbraw/zinc/75/66/90/787756690.db2.gz KACDAJKONUNUCA-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001097176978 788009074 /nfs/dbraw/zinc/00/90/74/788009074.db2.gz DRBMZIFQRMRIMW-WCXIOVBPSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001097177395 788010051 /nfs/dbraw/zinc/01/00/51/788010051.db2.gz QFALRLUKMRUSPN-NCOADZHNSA-N 2 0 305.466 2.158 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548379 788125595 /nfs/dbraw/zinc/12/55/95/788125595.db2.gz CMPNQCCCMXWHOX-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132974435 788245129 /nfs/dbraw/zinc/24/51/29/788245129.db2.gz ZJBPJCMDXJVHMQ-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133123048 788288541 /nfs/dbraw/zinc/28/85/41/788288541.db2.gz XYZUPKQGHLBJRA-HOTGVXAUSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126219 788774126 /nfs/dbraw/zinc/77/41/26/788774126.db2.gz FUILCJZCCZWSQS-MSOLQXFVSA-N 2 0 315.461 2.004 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370098 788900811 /nfs/dbraw/zinc/90/08/11/788900811.db2.gz XLCUVHBWPDTPNB-CVEARBPZSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134518094 788960759 /nfs/dbraw/zinc/96/07/59/788960759.db2.gz BBFJYQDXWZTCQH-KGLIPLIRSA-N 2 0 321.490 2.320 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134520322 788961525 /nfs/dbraw/zinc/96/15/25/788961525.db2.gz OVQNMSFMAWRGLF-ZIAGYGMSSA-N 2 0 321.490 2.320 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730017 789053734 /nfs/dbraw/zinc/05/37/34/789053734.db2.gz RUBUSKNBPGTKPO-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858249 789116460 /nfs/dbraw/zinc/11/64/60/789116460.db2.gz QCTADJUMZPVYPR-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858251 789116715 /nfs/dbraw/zinc/11/67/15/789116715.db2.gz QCTADJUMZPVYPR-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902317 789553492 /nfs/dbraw/zinc/55/34/92/789553492.db2.gz QCNLPHXZILKFBB-HZPDHXFCSA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071629274 789826618 /nfs/dbraw/zinc/82/66/18/789826618.db2.gz XLSWBWFXIQBIQA-GDBMZVCRSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071930573 789977169 /nfs/dbraw/zinc/97/71/69/789977169.db2.gz HCCVLSLNVYMMHO-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001146613968 791324701 /nfs/dbraw/zinc/32/47/01/791324701.db2.gz WBBNOZYZYHLIGV-SJORKVTESA-N 2 0 319.493 2.171 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098462815 791633925 /nfs/dbraw/zinc/63/39/25/791633925.db2.gz OWJGKGNQRRNEES-NXHRZFHOSA-N 2 0 313.445 2.269 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148277660 791728398 /nfs/dbraw/zinc/72/83/98/791728398.db2.gz JZNINVPRXFCDBH-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001099027524 792044176 /nfs/dbraw/zinc/04/41/76/792044176.db2.gz MYCISGCUYGALEP-LNLFQRSKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110724 792100232 /nfs/dbraw/zinc/10/02/32/792100232.db2.gz HTXYPWIHTMDSAG-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676929 792109848 /nfs/dbraw/zinc/10/98/48/792109848.db2.gz QAUUBDFEZRLSAT-JFIYKMOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506649 792694177 /nfs/dbraw/zinc/69/41/77/792694177.db2.gz CKMIGFACRKILLG-UHFFFAOYSA-N 2 0 312.417 2.399 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033252 792975503 /nfs/dbraw/zinc/97/55/03/792975503.db2.gz JURSFGBXZJGSTJ-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400035 793145186 /nfs/dbraw/zinc/14/51/86/793145186.db2.gz DGMWPKFZUKEHFJ-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171922681 793261277 /nfs/dbraw/zinc/26/12/77/793261277.db2.gz ASPZFRWPBGDARB-FUHWJXTLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337743 793274427 /nfs/dbraw/zinc/27/44/27/793274427.db2.gz SBSXVWYVJRZFAN-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP COCCC[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC001172245003 793387005 /nfs/dbraw/zinc/38/70/05/793387005.db2.gz MIMWMMNDFVMRRG-UHFFFAOYSA-N 2 0 301.434 2.191 20 30 DEEDRP C[C@@H](Cc1ccc(C#N)cc1)N(CCC[NH3+])CCC[NH+](C)C ZINC001172301626 793392971 /nfs/dbraw/zinc/39/29/71/793392971.db2.gz SIQGDEBURBDHGU-INIZCTEOSA-N 2 0 302.466 2.092 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061973 793491752 /nfs/dbraw/zinc/49/17/52/793491752.db2.gz PLFDVHBMEXOLKS-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001103006281 793880139 /nfs/dbraw/zinc/88/01/39/793880139.db2.gz HEQLEUZKQIXXAM-ZJPYXAASSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232454 793994396 /nfs/dbraw/zinc/99/43/96/793994396.db2.gz OYNTWELAQRESIX-HZPDHXFCSA-N 2 0 324.428 2.045 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001175218884 794161087 /nfs/dbraw/zinc/16/10/87/794161087.db2.gz WVQPHGIKMHMXFF-DLBZAZTESA-N 2 0 309.498 2.395 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295129 794168995 /nfs/dbraw/zinc/16/89/95/794168995.db2.gz BLNDGYCZZZJWIB-INIZCTEOSA-N 2 0 309.498 2.252 20 30 DEEDRP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103663614 794180905 /nfs/dbraw/zinc/18/09/05/794180905.db2.gz JZBQLTVTZOJSAZ-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184796 794369793 /nfs/dbraw/zinc/36/97/93/794369793.db2.gz NLMYWDBSMQNKHV-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176200621 794386935 /nfs/dbraw/zinc/38/69/35/794386935.db2.gz PQGASPBSNCMCRD-AWEZNQCLSA-N 2 0 304.438 2.212 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176738759 794484325 /nfs/dbraw/zinc/48/43/25/794484325.db2.gz TWANDBDTSOOZDI-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001111938343 794531038 /nfs/dbraw/zinc/53/10/38/794531038.db2.gz XGBHFOPHMLCIKC-AOIWGVFYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001112410932 794627408 /nfs/dbraw/zinc/62/74/08/794627408.db2.gz XSZUJOUABGZFPO-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001177415633 794665931 /nfs/dbraw/zinc/66/59/31/794665931.db2.gz GKWQRCZUNCHUIO-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115254793 794714351 /nfs/dbraw/zinc/71/43/51/794714351.db2.gz QHLMCCGZFMHMMM-DZFIZOCASA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536627 794813872 /nfs/dbraw/zinc/81/38/72/794813872.db2.gz AIPVHGOJKGCJOD-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178688768 794975814 /nfs/dbraw/zinc/97/58/14/794975814.db2.gz MMQPIRWBLOWFRH-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178688509 794975966 /nfs/dbraw/zinc/97/59/66/794975966.db2.gz KRWGQKKZFCGOHY-SFHVURJKSA-N 2 0 321.509 2.254 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698507 794981020 /nfs/dbraw/zinc/98/10/20/794981020.db2.gz JPSATXHTTMLMSM-HNNXBMFYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179521451 795125466 /nfs/dbraw/zinc/12/54/66/795125466.db2.gz MMSMTDIMKSLEHR-KKUMJFAQSA-N 2 0 315.889 2.438 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180061165 795233384 /nfs/dbraw/zinc/23/33/84/795233384.db2.gz ZENCWUIMSHMINF-SJORKVTESA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180156828 795252334 /nfs/dbraw/zinc/25/23/34/795252334.db2.gz IFQQRLNKNVRTFM-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120402876 795453102 /nfs/dbraw/zinc/45/31/02/795453102.db2.gz SUIZCZYWNGWHJA-DLBZAZTESA-N 2 0 319.493 2.053 20 30 DEEDRP C[NH+]1CCC(CC[NH+]=C(NC[C@H]2CCOC2)NC(C)(C)C)CC1 ZINC001120462938 795465360 /nfs/dbraw/zinc/46/53/60/795465360.db2.gz YSPDNFKCPKQPIG-MRXNPFEDSA-N 2 0 324.513 2.089 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001181801035 795542271 /nfs/dbraw/zinc/54/22/71/795542271.db2.gz KPTIWIUCRRLDRM-SOLBZPMBSA-N 2 0 309.498 2.223 20 30 DEEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001182029672 795589416 /nfs/dbraw/zinc/58/94/16/795589416.db2.gz AWDRNQIXHMQHIW-DNVCBOLYSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182409864 795665556 /nfs/dbraw/zinc/66/55/56/795665556.db2.gz DTPXLILHOCTXRJ-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001121946198 795707943 /nfs/dbraw/zinc/70/79/43/795707943.db2.gz UEBLNXFQULCBFE-QGZVFWFLSA-N 2 0 321.440 2.400 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001122336294 795748599 /nfs/dbraw/zinc/74/85/99/795748599.db2.gz UZANXMPXZDDROA-ZBFHGGJFSA-N 2 0 301.434 2.224 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183256108 795839868 /nfs/dbraw/zinc/83/98/68/795839868.db2.gz SEDBUUJOCFXDCP-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001183496972 795881991 /nfs/dbraw/zinc/88/19/91/795881991.db2.gz RSTDEQAPDWIBSB-HZPDHXFCSA-N 2 0 304.438 2.237 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184291630 796037995 /nfs/dbraw/zinc/03/79/95/796037995.db2.gz CFIVFYFZKSUXFZ-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184821943 796133267 /nfs/dbraw/zinc/13/32/67/796133267.db2.gz NMPHQYMPCUQRHX-CABCVRRESA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC001137892943 796149654 /nfs/dbraw/zinc/14/96/54/796149654.db2.gz YMMMJFUMCMXZTA-UHFFFAOYSA-N 2 0 301.434 2.380 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185029376 796174787 /nfs/dbraw/zinc/17/47/87/796174787.db2.gz HICZWAFWAFSAGR-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185071659 796183469 /nfs/dbraw/zinc/18/34/69/796183469.db2.gz ABQRQXGHTKMBDH-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185348482 796236233 /nfs/dbraw/zinc/23/62/33/796236233.db2.gz QAUBENFMIVLOPF-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185445159 796258373 /nfs/dbraw/zinc/25/83/73/796258373.db2.gz FFWOZRAVMUSERU-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185528163 796278177 /nfs/dbraw/zinc/27/81/77/796278177.db2.gz YAXWRDSMOFHAPP-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185675989 796308279 /nfs/dbraw/zinc/30/82/79/796308279.db2.gz GEFMIXRUORCCQO-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028629 796514937 /nfs/dbraw/zinc/51/49/37/796514937.db2.gz OKNRGQRTYMZOST-CVEARBPZSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161213041 796676600 /nfs/dbraw/zinc/67/66/00/796676600.db2.gz DRSHLKYQIGPRHR-KRWDZBQOSA-N 2 0 307.482 2.431 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443945 796997609 /nfs/dbraw/zinc/99/76/09/796997609.db2.gz LXVYOJFMXAWWDC-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203731396 797116031 /nfs/dbraw/zinc/11/60/31/797116031.db2.gz NZAGQTFIXIKVJX-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019231 797306192 /nfs/dbraw/zinc/30/61/92/797306192.db2.gz VRSZPKOCFWELKD-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246273 797699823 /nfs/dbraw/zinc/69/98/23/797699823.db2.gz KGBKETPBZRCCTR-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865605 797977742 /nfs/dbraw/zinc/97/77/42/797977742.db2.gz MVIMOYAUEYDRHT-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001196295995 798037012 /nfs/dbraw/zinc/03/70/12/798037012.db2.gz WVYFACHTFXCKRQ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197188288 798153731 /nfs/dbraw/zinc/15/37/31/798153731.db2.gz YDKIXAAGKFIXDN-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001198258989 798306707 /nfs/dbraw/zinc/30/67/07/798306707.db2.gz IOGCAAZYMNTFBQ-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978409 798319475 /nfs/dbraw/zinc/31/94/75/798319475.db2.gz VOLZWIWKHDKECO-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646856 798443143 /nfs/dbraw/zinc/44/31/43/798443143.db2.gz WPYDEZOIXZUMEP-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751601 798463154 /nfs/dbraw/zinc/46/31/54/798463154.db2.gz ZVCAKOXYSQWIEM-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP N#Cc1cc(Nc2cnc3c(c2)C[NH2+]CC3)cc(C2C[NH2+]C2)c1 ZINC001159141014 798528568 /nfs/dbraw/zinc/52/85/68/798528568.db2.gz UKBAUTBLWCZNOF-UHFFFAOYSA-N 2 0 305.385 2.029 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160168903 798658122 /nfs/dbraw/zinc/65/81/22/798658122.db2.gz CPOPZXXSEUUKEV-ZWKOTPCHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001201229651 798723459 /nfs/dbraw/zinc/72/34/59/798723459.db2.gz FHVGZRRHCHQXNH-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP COc1ccc(C#N)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1 ZINC001201666590 798780820 /nfs/dbraw/zinc/78/08/20/798780820.db2.gz DNBYNHGINAVUPQ-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391500 798845658 /nfs/dbraw/zinc/84/56/58/798845658.db2.gz SIKBRKXJRSDTRZ-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001161532125 798878033 /nfs/dbraw/zinc/87/80/33/798878033.db2.gz MLCXXXMZTNZAEH-UHFFFAOYSA-N 2 0 315.889 2.488 20 30 DEEDRP C[Si](C)(C)C#Cc1ccnc(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162294480 799052387 /nfs/dbraw/zinc/05/23/87/799052387.db2.gz JQFQHPKGFNKZIS-UHFFFAOYSA-N 2 0 318.541 2.441 20 30 DEEDRP CN(C)/C=[NH+]/c1ccc(NCc2noc3c2C[NH2+]CC3)cc1C#N ZINC001163134576 799256440 /nfs/dbraw/zinc/25/64/40/799256440.db2.gz VXMINTXOPKNVET-SRZZPIQSSA-N 2 0 324.388 2.025 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206683579 799640609 /nfs/dbraw/zinc/64/06/09/799640609.db2.gz MDJZYTWFFZXMDL-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165728833 799766568 /nfs/dbraw/zinc/76/65/68/799766568.db2.gz VOTGYUHRFQWWHO-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203421177 800044744 /nfs/dbraw/zinc/04/47/44/800044744.db2.gz ZNDHSIRLOLNYIJ-JKSUJKDBSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770210 800120687 /nfs/dbraw/zinc/12/06/87/800120687.db2.gz FFLLDXYAMHMOOE-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205457807 800360037 /nfs/dbraw/zinc/36/00/37/800360037.db2.gz QPKVVAUMUQIVHX-SFHVURJKSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205594428 800381877 /nfs/dbraw/zinc/38/18/77/800381877.db2.gz SFLWRZFXQOAGOF-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP CSc1nc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206003823 800456861 /nfs/dbraw/zinc/45/68/61/800456861.db2.gz MWWXTVGBENIMJF-OLZOCXBDSA-N 2 0 304.463 2.482 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547535 800552133 /nfs/dbraw/zinc/55/21/33/800552133.db2.gz HIQGHBLNDNKYRJ-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001206602144 800562653 /nfs/dbraw/zinc/56/26/53/800562653.db2.gz FNXRRWZCKCQAAZ-UHFFFAOYSA-N 2 0 318.465 2.376 20 30 DEEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207393530 800742899 /nfs/dbraw/zinc/74/28/99/800742899.db2.gz BRQMQTIFBHDDBO-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208279212 800944941 /nfs/dbraw/zinc/94/49/41/800944941.db2.gz KSSZFRNZBZBCLT-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208330942 800956631 /nfs/dbraw/zinc/95/66/31/800956631.db2.gz IBCACMNOLGCKGX-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411625 800978097 /nfs/dbraw/zinc/97/80/97/800978097.db2.gz ZFAVOGYDVPOTHT-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP CC[NH+]1CCC(C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC001208593309 801021910 /nfs/dbraw/zinc/02/19/10/801021910.db2.gz GSQXUUFZNYZYFV-UHFFFAOYSA-N 2 0 312.461 2.412 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001209161483 801140440 /nfs/dbraw/zinc/14/04/40/801140440.db2.gz LQVJNCKDBXPWFK-SQNIBIBYSA-N 2 0 317.481 2.418 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408422 801185090 /nfs/dbraw/zinc/18/50/90/801185090.db2.gz NTWYXAYXYZJCEK-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210181973 801347042 /nfs/dbraw/zinc/34/70/42/801347042.db2.gz HDUKCQGYZFPYLA-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001211221106 801532654 /nfs/dbraw/zinc/53/26/54/801532654.db2.gz BALBIXJCEABDHW-BRWVUGGUSA-N 2 0 322.497 2.077 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211257311 801537530 /nfs/dbraw/zinc/53/75/30/801537530.db2.gz QJOPJWYFIJBTST-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847363 801765790 /nfs/dbraw/zinc/76/57/90/801765790.db2.gz CLAORYQGCPVXJK-OWCLPIDISA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234314 801823150 /nfs/dbraw/zinc/82/31/50/801823150.db2.gz OROSRLCAEZNQEA-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP Cc1cc(C#N)ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC001233082492 802022689 /nfs/dbraw/zinc/02/26/89/802022689.db2.gz NUVDYGPEDKBDSF-UHFFFAOYSA-N 2 0 312.461 2.080 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216843171 802031836 /nfs/dbraw/zinc/03/18/36/802031836.db2.gz ZWSIGTIIXLBPBQ-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739487 802899709 /nfs/dbraw/zinc/89/97/09/802899709.db2.gz NWRXHZRTRJBECI-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877018 803289976 /nfs/dbraw/zinc/28/99/76/803289976.db2.gz NHHQFTRMHOTYCX-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228889094 803426022 /nfs/dbraw/zinc/42/60/22/803426022.db2.gz RXOPMNUQDACXIE-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C(C)(C)C1 ZINC001328099549 1148721139 /nfs/dbraw/zinc/72/11/39/1148721139.db2.gz WDRPUCWAJIJTIA-INIZCTEOSA-N 2 0 318.465 2.444 20 30 DEEDRP CC#CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001574973565 1069317028 /nfs/dbraw/zinc/31/70/28/1069317028.db2.gz WXIVZJHRPQCFHK-INIZCTEOSA-N 2 0 305.466 2.032 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1 ZINC001368498307 1148468403 /nfs/dbraw/zinc/46/84/03/1148468403.db2.gz QCYKMDVLQQCRFX-CQSZACIVSA-N 2 0 313.873 2.242 20 30 DEEDRP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001502546614 1060173112 /nfs/dbraw/zinc/17/31/12/1060173112.db2.gz UVKCQHYTXTXCPM-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502809756 1060316165 /nfs/dbraw/zinc/31/61/65/1060316165.db2.gz MUZXBGIEDUBDRS-IYBDPMFKSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001502967170 1060408494 /nfs/dbraw/zinc/40/84/94/1060408494.db2.gz HLKYUXJHDSJLBW-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502968404 1060408525 /nfs/dbraw/zinc/40/85/25/1060408525.db2.gz MAOMQEUBBAVXQO-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001505781287 1060958027 /nfs/dbraw/zinc/95/80/27/1060958027.db2.gz ZGYMADXCOZCWDL-ABHNRTSZSA-N 2 0 319.493 2.242 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001479687380 1061597924 /nfs/dbraw/zinc/59/79/24/1061597924.db2.gz GARYNMJUSBPHDJ-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001479693738 1061608520 /nfs/dbraw/zinc/60/85/20/1061608520.db2.gz DFSDYQQZBNKSIR-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001479969017 1062125234 /nfs/dbraw/zinc/12/52/34/1062125234.db2.gz REFAGGFVMSMULY-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507014921 1062676697 /nfs/dbraw/zinc/67/66/97/1062676697.db2.gz KKLJFBSMIZBGSS-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001507031534 1062698499 /nfs/dbraw/zinc/69/84/99/1062698499.db2.gz SWCBFNBRYLOKCN-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001507358529 1063150831 /nfs/dbraw/zinc/15/08/31/1063150831.db2.gz ASIXTNBHLDQIJF-YESZJQIVSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480660048 1063154420 /nfs/dbraw/zinc/15/44/20/1063154420.db2.gz WAPAFAZMWMDWJC-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCN1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001329141823 1148868522 /nfs/dbraw/zinc/86/85/22/1148868522.db2.gz MMSXNBDJYMTXKC-UHFFFAOYSA-N 2 0 312.417 2.127 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001508225448 1063616605 /nfs/dbraw/zinc/61/66/05/1063616605.db2.gz QJTHPFZUFMRQHS-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001493849845 1063991008 /nfs/dbraw/zinc/99/10/08/1063991008.db2.gz LJEXCWPTMACMHV-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001493850106 1063991858 /nfs/dbraw/zinc/99/18/58/1063991858.db2.gz OPXBFUULXRQLFK-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001493858260 1063997211 /nfs/dbraw/zinc/99/72/11/1063997211.db2.gz BAULZUHUDKHYHQ-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001567386915 1064175827 /nfs/dbraw/zinc/17/58/27/1064175827.db2.gz POYVLSVUJXXIAJ-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567663749 1064327986 /nfs/dbraw/zinc/32/79/86/1064327986.db2.gz ROXYETUGJNHMJH-MSOLQXFVSA-N 2 0 315.461 2.494 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001567662694 1064329252 /nfs/dbraw/zinc/32/92/52/1064329252.db2.gz IWWXSQMNSAPHOX-ZWKOTPCHSA-N 2 0 315.461 2.043 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567703603 1064360767 /nfs/dbraw/zinc/36/07/67/1064360767.db2.gz WXFKZHMILUOSAS-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001568379727 1064823540 /nfs/dbraw/zinc/82/35/40/1064823540.db2.gz VKCQVXYULXAWOJ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001495581532 1064990881 /nfs/dbraw/zinc/99/08/81/1064990881.db2.gz ZHYRBZFDRYFFGG-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001569135708 1065313014 /nfs/dbraw/zinc/31/30/14/1065313014.db2.gz ZUGVHNVLKUCEDJ-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496237260 1065357856 /nfs/dbraw/zinc/35/78/56/1065357856.db2.gz BDMWDJZNQMWWEA-HNNXBMFYSA-N 2 0 303.450 2.374 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569247392 1065393463 /nfs/dbraw/zinc/39/34/63/1065393463.db2.gz NOUDERPQNGYIPI-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001496492335 1065507381 /nfs/dbraw/zinc/50/73/81/1065507381.db2.gz SBJLFRMSZUVQQI-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569672288 1065664193 /nfs/dbraw/zinc/66/41/93/1065664193.db2.gz FOQIPYBLEPNVMP-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC001625757479 1078251156 /nfs/dbraw/zinc/25/11/56/1078251156.db2.gz OFNAPAAKLMBEQA-GOSISDBHSA-N 2 0 317.477 2.377 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569984151 1065860096 /nfs/dbraw/zinc/86/00/96/1065860096.db2.gz QGPVDDIVDIRXRP-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001570504615 1066098225 /nfs/dbraw/zinc/09/82/25/1066098225.db2.gz NFJDBLPVWLGTIJ-UHFFFAOYSA-N 2 0 318.465 2.434 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001632827266 1078392060 /nfs/dbraw/zinc/39/20/60/1078392060.db2.gz VMICTVKHAZQITK-AEFFLSMTSA-N 2 0 315.461 2.131 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498487418 1066740288 /nfs/dbraw/zinc/74/02/88/1066740288.db2.gz GHZLBVZGOYYHDQ-DLBZAZTESA-N 2 0 321.509 2.252 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001498770662 1066876982 /nfs/dbraw/zinc/87/69/82/1066876982.db2.gz PSMUKXCCLKVNFL-DLBZAZTESA-N 2 0 305.466 2.064 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001499511652 1067241452 /nfs/dbraw/zinc/24/14/52/1067241452.db2.gz JWEHKAKVNBHZJV-FGTMMUONSA-N 2 0 319.493 2.195 20 30 DEEDRP N#Cc1ccc(F)c(C[NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC001580067297 1067487755 /nfs/dbraw/zinc/48/77/55/1067487755.db2.gz NWHRNQLLNPBZMG-HNNXBMFYSA-N 2 0 303.381 2.088 20 30 DEEDRP N#Cc1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC001580069719 1067489200 /nfs/dbraw/zinc/48/92/00/1067489200.db2.gz FVKDKPVNSGKXNY-HNNXBMFYSA-N 2 0 316.424 2.209 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001483446923 1078538562 /nfs/dbraw/zinc/53/85/62/1078538562.db2.gz DSKOCIWXPLLKEK-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591202 1078615014 /nfs/dbraw/zinc/61/50/14/1078615014.db2.gz AWWDICBVMUIMNF-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267163861 1078628173 /nfs/dbraw/zinc/62/81/73/1078628173.db2.gz BGOFYHFUWSDXRN-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001570553566 1068000730 /nfs/dbraw/zinc/00/07/30/1068000730.db2.gz UHKJLUWNQUKVHW-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267169299 1078634497 /nfs/dbraw/zinc/63/44/97/1078634497.db2.gz MWOWUPOMXAKAAL-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001570620198 1068040850 /nfs/dbraw/zinc/04/08/50/1068040850.db2.gz BRMQIFFAFNVBMF-CVEARBPZSA-N 2 0 317.477 2.463 20 30 DEEDRP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001570834711 1068133263 /nfs/dbraw/zinc/13/32/63/1068133263.db2.gz HGCVBLWOXIZWFX-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001570841397 1068136110 /nfs/dbraw/zinc/13/61/10/1068136110.db2.gz LOHXUYDJXGKWBL-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001570932120 1068162680 /nfs/dbraw/zinc/16/26/80/1068162680.db2.gz PCAHPFZOIFTQCN-TVFCKZIOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001329230930 1148876631 /nfs/dbraw/zinc/87/66/31/1148876631.db2.gz NTRKXXUFJOUVGB-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001571513489 1068372298 /nfs/dbraw/zinc/37/22/98/1068372298.db2.gz SNOKRALEGRDRBR-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001267279422 1078725062 /nfs/dbraw/zinc/72/50/62/1078725062.db2.gz FHDOIMXGYWGQLU-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267282211 1078728779 /nfs/dbraw/zinc/72/87/79/1078728779.db2.gz BUBGFRDZTIATCP-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325101 1078765225 /nfs/dbraw/zinc/76/52/25/1078765225.db2.gz CEVFDIMRKWTHSJ-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483668184 1078766777 /nfs/dbraw/zinc/76/67/77/1078766777.db2.gz SPCPRUYRWIJWIV-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483698693 1078818878 /nfs/dbraw/zinc/81/88/78/1078818878.db2.gz UNXWIDPFFRXESC-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267466866 1078879663 /nfs/dbraw/zinc/87/96/63/1078879663.db2.gz SEZISVNFBJYENC-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC001574893366 1069289519 /nfs/dbraw/zinc/28/95/19/1069289519.db2.gz UXFMCTFAMQCYIJ-IBGZPJMESA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001649439835 1079119596 /nfs/dbraw/zinc/11/95/96/1079119596.db2.gz VRQBNWIIZGBFLB-INIZCTEOSA-N 2 0 304.438 2.210 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001483787854 1079122058 /nfs/dbraw/zinc/12/20/58/1079122058.db2.gz YCSYGBRLBLMAFJ-RDJZCZTQSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001483932847 1079193743 /nfs/dbraw/zinc/19/37/43/1079193743.db2.gz RTPIUCAVFFIJEF-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001483945166 1079201819 /nfs/dbraw/zinc/20/18/19/1079201819.db2.gz PHGLQIARUHITLK-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484103510 1079303990 /nfs/dbraw/zinc/30/39/90/1079303990.db2.gz VOPGATMXSYBSPN-SFHVURJKSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001565872231 1075060919 /nfs/dbraw/zinc/06/09/19/1075060919.db2.gz JNLSEEUTQJXTER-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001566601057 1075293720 /nfs/dbraw/zinc/29/37/20/1075293720.db2.gz VIFSBCXYYOFHFJ-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001566711791 1075324069 /nfs/dbraw/zinc/32/40/69/1075324069.db2.gz VEVKADNKNLIMLW-ZWKOTPCHSA-N 2 0 319.493 2.454 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001566800909 1075348092 /nfs/dbraw/zinc/34/80/92/1075348092.db2.gz KOJBJOCGNLAWTR-BQFCYCMXSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001566841861 1075358352 /nfs/dbraw/zinc/35/83/52/1075358352.db2.gz IJZTWRONWMDSMF-WCXIOVBPSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267790346 1079496989 /nfs/dbraw/zinc/49/69/89/1079496989.db2.gz MGPPYERITHVLCY-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CCC)CCCC[C@H]1C ZINC001267873798 1079560244 /nfs/dbraw/zinc/56/02/44/1079560244.db2.gz LTOHRASKNJOXHX-SJLPKXTDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001267969998 1079649339 /nfs/dbraw/zinc/64/93/39/1079649339.db2.gz MLUISRXTLYLJKK-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001484901592 1079844918 /nfs/dbraw/zinc/84/49/18/1079844918.db2.gz GMWMRPJZBBRIFB-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001481510582 1079973014 /nfs/dbraw/zinc/97/30/14/1079973014.db2.gz YZYOTECHKBCPSK-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001496428907 1080026714 /nfs/dbraw/zinc/02/67/14/1080026714.db2.gz PDDLJMMHGABLOJ-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001485240837 1080090018 /nfs/dbraw/zinc/09/00/18/1080090018.db2.gz AYIMOJIZMIGODN-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304548 1080141240 /nfs/dbraw/zinc/14/12/40/1080141240.db2.gz XOYMRNGIQQWPSS-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+](C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485322610 1080149462 /nfs/dbraw/zinc/14/94/62/1080149462.db2.gz NGJINQBMELPASD-OAHLLOKOSA-N 2 0 307.482 2.099 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)CC(C)(C)C1 ZINC001657106666 1080157825 /nfs/dbraw/zinc/15/78/25/1080157825.db2.gz ZGWMARDJNZHXTO-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP COc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1C#N ZINC001658497534 1080208556 /nfs/dbraw/zinc/20/85/56/1080208556.db2.gz VSYICCBUYGKNIX-UHFFFAOYSA-N 2 0 319.368 2.437 20 30 DEEDRP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001485458772 1080227768 /nfs/dbraw/zinc/22/77/68/1080227768.db2.gz PDRXZHQHHALIRM-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP 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 1080350992 /nfs/dbraw/zinc/35/09/92/1080350992.db2.gz VGSUCCZDRJIQAE-YESZJQIVSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH2+]CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001268376607 1080395882 /nfs/dbraw/zinc/39/58/82/1080395882.db2.gz CBLNJFHMLKXXFE-CYBMUJFWSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481735684 1080407004 /nfs/dbraw/zinc/40/70/04/1080407004.db2.gz QGUJINRYICBSIY-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001661142539 1080447572 /nfs/dbraw/zinc/44/75/72/1080447572.db2.gz KNSPNLCWVYTDIY-MRXNPFEDSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001661178128 1080452475 /nfs/dbraw/zinc/45/24/75/1080452475.db2.gz UUXXNDDPZDEULC-KRWDZBQOSA-N 2 0 301.434 2.032 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001661236039 1080462245 /nfs/dbraw/zinc/46/22/45/1080462245.db2.gz SCLYJKFRMZSWSP-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001661740385 1080516570 /nfs/dbraw/zinc/51/65/70/1080516570.db2.gz ZGILHHAUDJMUOB-MRXNPFEDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001663761103 1080813517 /nfs/dbraw/zinc/81/35/17/1080813517.db2.gz HXPLAMJRJQMDCF-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001663761105 1080813612 /nfs/dbraw/zinc/81/36/12/1080813612.db2.gz HXPLAMJRJQMDCF-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001664755813 1080955712 /nfs/dbraw/zinc/95/57/12/1080955712.db2.gz YTNRNLWHXRIHII-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001664982556 1080982146 /nfs/dbraw/zinc/98/21/46/1080982146.db2.gz QJMQWYZNWYYIRG-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001665833227 1081087812 /nfs/dbraw/zinc/08/78/12/1081087812.db2.gz FHYSXDHKKCDWFS-WMZOPIPTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001665940257 1081100820 /nfs/dbraw/zinc/10/08/20/1081100820.db2.gz PBMNTVZFJDHRCS-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001269085449 1081110930 /nfs/dbraw/zinc/11/09/30/1081110930.db2.gz TWDGGHISFQQFLQ-QGZVFWFLSA-N 2 0 312.417 2.317 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001666256063 1081137185 /nfs/dbraw/zinc/13/71/85/1081137185.db2.gz AJCHQDMGUACZNT-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001666364053 1081148048 /nfs/dbraw/zinc/14/80/48/1081148048.db2.gz DMYHOJBMMSSCAI-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666619628 1081167585 /nfs/dbraw/zinc/16/75/85/1081167585.db2.gz HJZQAYZMQZCNLF-YOEHRIQHSA-N 2 0 313.461 2.117 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001269326913 1081213789 /nfs/dbraw/zinc/21/37/89/1081213789.db2.gz OWBZEHDNOXKCSY-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](C)CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001667421011 1081249925 /nfs/dbraw/zinc/24/99/25/1081249925.db2.gz JCOSDFOOWARYRJ-INIZCTEOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001667695093 1081274897 /nfs/dbraw/zinc/27/48/97/1081274897.db2.gz UUPGJQMJZVRROJ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001482235676 1081321445 /nfs/dbraw/zinc/32/14/45/1081321445.db2.gz ONHNPQDPLDMTCI-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883880 1081406896 /nfs/dbraw/zinc/40/68/96/1081406896.db2.gz VARPHMZPJHRGNS-YHLLGKTKSA-N 2 0 305.466 2.232 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001270024773 1081430188 /nfs/dbraw/zinc/43/01/88/1081430188.db2.gz JVVMDKXEVTYINX-XLAORIBOSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001669312931 1081445143 /nfs/dbraw/zinc/44/51/43/1081445143.db2.gz JSRNGYOFWPTDSQ-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001669986317 1081487080 /nfs/dbraw/zinc/48/70/80/1081487080.db2.gz QWQPZHUTOXPDSX-QZTJIDSGSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCCC)CC1 ZINC001270321638 1081500872 /nfs/dbraw/zinc/50/08/72/1081500872.db2.gz XYOPBDDFBZEOKC-QGZVFWFLSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001671346364 1081513850 /nfs/dbraw/zinc/51/38/50/1081513850.db2.gz HHEIRAJUWCVCDK-SFHVURJKSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001672430294 1081597609 /nfs/dbraw/zinc/59/76/09/1081597609.db2.gz SWACADVSRDPPOD-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001270749651 1081622400 /nfs/dbraw/zinc/62/24/00/1081622400.db2.gz RAMLATMNBUTWMZ-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCN1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000952444507 1081714298 /nfs/dbraw/zinc/71/42/98/1081714298.db2.gz UKRPIEYMFGWDNJ-DOTOQJQBSA-N 2 0 305.466 2.112 20 30 DEEDRP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)[NH+](C)C ZINC001672929253 1081722925 /nfs/dbraw/zinc/72/29/25/1081722925.db2.gz CVOWPASJLGBEGB-SFHVURJKSA-N 2 0 315.461 2.098 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001270854292 1081744761 /nfs/dbraw/zinc/74/47/61/1081744761.db2.gz QRSDZSJUNVINBY-LJQANCHMSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001673496170 1081776806 /nfs/dbraw/zinc/77/68/06/1081776806.db2.gz HXHOKUJMRFQWGS-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001482421386 1081810351 /nfs/dbraw/zinc/81/03/51/1081810351.db2.gz GDPVKFQPIQTGEW-ZBFHGGJFSA-N 2 0 304.438 2.135 20 30 DEEDRP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001674542592 1081888644 /nfs/dbraw/zinc/88/86/44/1081888644.db2.gz XKKXKKYXFVUCNU-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001482469422 1081941971 /nfs/dbraw/zinc/94/19/71/1081941971.db2.gz DIQNDLUQDHZKDE-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266463874 1082054084 /nfs/dbraw/zinc/05/40/84/1082054084.db2.gz QJBPOJAEOSMENU-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001266466393 1082055046 /nfs/dbraw/zinc/05/50/46/1082055046.db2.gz NYMUGPZSJHDMCH-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001271600018 1082089040 /nfs/dbraw/zinc/08/90/40/1082089040.db2.gz MZCGFGFAMOUFRI-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271665636 1082104758 /nfs/dbraw/zinc/10/47/58/1082104758.db2.gz MAIYQSVJOZDENU-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001670490314 1082151632 /nfs/dbraw/zinc/15/16/32/1082151632.db2.gz JBUIZFKRNBMMFZ-INIZCTEOSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001271847048 1082171131 /nfs/dbraw/zinc/17/11/31/1082171131.db2.gz YTSIFPBBSIALKK-CQSZACIVSA-N 2 0 309.479 2.340 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001272016632 1082271563 /nfs/dbraw/zinc/27/15/63/1082271563.db2.gz SRLLIGOTUXXXJB-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482833166 1082524305 /nfs/dbraw/zinc/52/43/05/1082524305.db2.gz ZEMFCLYFZJBLBU-KBPBESRZSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483011544 1082623759 /nfs/dbraw/zinc/62/37/59/1082623759.db2.gz QJARARRVBDNMRN-ZPUOCTKUSA-N 2 0 319.493 2.479 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107520826 1083456757 /nfs/dbraw/zinc/45/67/57/1083456757.db2.gz FYIYEMKIXVCOJT-SJLPKXTDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001276589020 1083502959 /nfs/dbraw/zinc/50/29/59/1083502959.db2.gz MHUPUMBRJKXFEC-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3ccnc3C)CCC[C@@H]12 ZINC001107634080 1083543365 /nfs/dbraw/zinc/54/33/65/1083543365.db2.gz JFBXVROJABHNRT-SJLPKXTDSA-N 2 0 316.449 2.128 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001276839595 1083640550 /nfs/dbraw/zinc/64/05/50/1083640550.db2.gz KQEMCDAZUDDWKU-RCCFBDPRSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001276382060 1083767936 /nfs/dbraw/zinc/76/79/36/1083767936.db2.gz RZGKRCICWIUBIF-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001491170120 1084124557 /nfs/dbraw/zinc/12/45/57/1084124557.db2.gz JKEMVCZIYDDBGI-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491174577 1084130820 /nfs/dbraw/zinc/13/08/20/1084130820.db2.gz QHGPAHACFANAJO-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001670919467 1084144057 /nfs/dbraw/zinc/14/40/57/1084144057.db2.gz ULYGGTPCLBFJPM-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203460872 1084146924 /nfs/dbraw/zinc/14/69/24/1084146924.db2.gz CNXHOQBGYURUTO-IAGOWNOFSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001670989389 1084187417 /nfs/dbraw/zinc/18/74/17/1084187417.db2.gz SITWGOZBQCOSCK-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCN(CC[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C(=O)OCC ZINC001235153433 1084330930 /nfs/dbraw/zinc/33/09/30/1084330930.db2.gz SDWUHYWWAHVYFB-QGZVFWFLSA-N 2 0 323.481 2.485 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870611 1084400073 /nfs/dbraw/zinc/40/00/73/1084400073.db2.gz RJRWDUORTBXCIQ-LJQANCHMSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001078664020 1084798622 /nfs/dbraw/zinc/79/86/22/1084798622.db2.gz XPEHVVYHSDXIDA-DLBZAZTESA-N 2 0 324.428 2.459 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000964015080 1085146600 /nfs/dbraw/zinc/14/66/00/1085146600.db2.gz KPSOYXXQNCPMCC-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000964185167 1085172840 /nfs/dbraw/zinc/17/28/40/1085172840.db2.gz MBZZLMZSSWKVFX-GTPINHCMSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001486521047 1085404502 /nfs/dbraw/zinc/40/45/02/1085404502.db2.gz NIDSLNNUIXLIOZ-HZPDHXFCSA-N 2 0 305.466 2.184 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961956510 1085920047 /nfs/dbraw/zinc/92/00/47/1085920047.db2.gz JAFRXGXOJILUKB-BDXSIMOUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273101206 1086179188 /nfs/dbraw/zinc/17/91/88/1086179188.db2.gz PPGREKNFRKEQKC-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315768 1086405340 /nfs/dbraw/zinc/40/53/40/1086405340.db2.gz YMKRXIRCSFUKBP-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963319155 1086407108 /nfs/dbraw/zinc/40/71/08/1086407108.db2.gz IVEWCCPPFUUPLG-JCYILVPMSA-N 2 0 307.482 2.404 20 30 DEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC000957606101 1088452150 /nfs/dbraw/zinc/45/21/50/1088452150.db2.gz ZOZMZCMAQHXLLA-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957644957 1088493067 /nfs/dbraw/zinc/49/30/67/1088493067.db2.gz PTROZDAYLMWUMH-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080011878 1088562968 /nfs/dbraw/zinc/56/29/68/1088562968.db2.gz KWJCTDOILJXETC-CXAGYDPISA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570214 1090008390 /nfs/dbraw/zinc/00/83/90/1090008390.db2.gz CBIXCKUYKNOMBA-VHDGCEQUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084339893 1090271682 /nfs/dbraw/zinc/27/16/82/1090271682.db2.gz MLELFLUIPHQONU-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001275324478 1091670897 /nfs/dbraw/zinc/67/08/97/1091670897.db2.gz XRJDNNLUPOUZLD-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490830096 1091777974 /nfs/dbraw/zinc/77/79/74/1091777974.db2.gz MULJUVZMMVGYDT-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C#CCCC[NH+]1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001275975533 1092414956 /nfs/dbraw/zinc/41/49/56/1092414956.db2.gz IKDDOGPZJWDZOK-UHFFFAOYSA-N 2 0 314.477 2.475 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001489056716 1092897440 /nfs/dbraw/zinc/89/74/40/1092897440.db2.gz XWDHYYQORVSUBL-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001489238846 1093000208 /nfs/dbraw/zinc/00/02/08/1093000208.db2.gz PSFRFUJLMJHPRY-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001489309119 1093011429 /nfs/dbraw/zinc/01/14/29/1093011429.db2.gz KEPZZLNDAIZUGO-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001495320229 1093159352 /nfs/dbraw/zinc/15/93/52/1093159352.db2.gz JOSUHCSDIJESOL-LPHOPBHVSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001490611554 1093445973 /nfs/dbraw/zinc/44/59/73/1093445973.db2.gz XDLHRPNCIPCHLI-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274111332 1093803121 /nfs/dbraw/zinc/80/31/21/1093803121.db2.gz WCLLQRGFGZMUAJ-GOSISDBHSA-N 2 0 310.401 2.087 20 30 DEEDRP N#Cc1c2c(cnc1-c1cccc3c1CC[NH2+]C3)C[NH2+]CCC2 ZINC001236341861 1138353751 /nfs/dbraw/zinc/35/37/51/1138353751.db2.gz HWNHGPCSPPQKNU-UHFFFAOYSA-N 2 0 304.397 2.302 20 30 DEEDRP CCCCCCCCNC(=O)NCCC[NH2+]CCCC[NH3+] ZINC001239252906 1139005541 /nfs/dbraw/zinc/00/55/41/1139005541.db2.gz KNKDMQRJGPEEEJ-UHFFFAOYSA-N 2 0 300.491 2.365 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001318804825 1140423739 /nfs/dbraw/zinc/42/37/39/1140423739.db2.gz KVWRQEYQTLGHHB-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318851594 1140436895 /nfs/dbraw/zinc/43/68/95/1140436895.db2.gz TXMZJOHSUVBJTC-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001319038816 1140494162 /nfs/dbraw/zinc/49/41/62/1140494162.db2.gz ULKNKXVPZAKDJW-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001319385991 1140561050 /nfs/dbraw/zinc/56/10/50/1140561050.db2.gz RPCULLFSDIWZSG-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001245986080 1140841971 /nfs/dbraw/zinc/84/19/71/1140841971.db2.gz UTBUXKXRFBJQGH-XMTFNYHQSA-N 2 0 312.498 2.312 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320462730 1140868881 /nfs/dbraw/zinc/86/88/81/1140868881.db2.gz CJJONOTVPAXHBA-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP CCCC[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC001246303041 1140882730 /nfs/dbraw/zinc/88/27/30/1140882730.db2.gz DNVVPKAPBROEDK-CVEARBPZSA-N 2 0 317.433 2.489 20 30 DEEDRP CC[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(C(=O)OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246302641 1140882997 /nfs/dbraw/zinc/88/29/97/1140882997.db2.gz BMAGHKOTIZINFC-MUJYYYPQSA-N 2 0 317.433 2.488 20 30 DEEDRP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246361588 1140887998 /nfs/dbraw/zinc/88/79/98/1140887998.db2.gz LLPAYMWSCVQWCU-KXBFYZLASA-N 2 0 312.461 2.253 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321278273 1141116760 /nfs/dbraw/zinc/11/67/60/1141116760.db2.gz DGQOWKNYVQVWIU-JTGQJZMRSA-N 2 0 307.482 2.479 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001278487122 1141363666 /nfs/dbraw/zinc/36/36/66/1141363666.db2.gz LTCMYWODJXUZMY-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001278495862 1141646724 /nfs/dbraw/zinc/64/67/24/1141646724.db2.gz WLOCNCWWNXEDAQ-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001323520169 1141861607 /nfs/dbraw/zinc/86/16/07/1141861607.db2.gz SFSXWSRORZMTII-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001324260800 1142043112 /nfs/dbraw/zinc/04/31/12/1142043112.db2.gz LEOJMNJLILLTTD-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001324333501 1142057293 /nfs/dbraw/zinc/05/72/93/1142057293.db2.gz GUPVBKHYRSPVGN-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001252620281 1142793066 /nfs/dbraw/zinc/79/30/66/1142793066.db2.gz SULNJHAPEURMNL-GOSISDBHSA-N 2 0 303.450 2.210 20 30 DEEDRP C=CCCCCCC[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001253249714 1142857285 /nfs/dbraw/zinc/85/72/85/1142857285.db2.gz NOXBXHUPFUQJCE-GOSISDBHSA-N 2 0 312.498 2.168 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([NH+](CC)CC)CC2)CC1 ZINC001338672641 1142869985 /nfs/dbraw/zinc/86/99/85/1142869985.db2.gz UESYEDRIVHJJOI-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001341731499 1143685475 /nfs/dbraw/zinc/68/54/75/1143685475.db2.gz BVSVBUHUBWNTQR-RYQLBKOJSA-N 2 0 315.461 2.307 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001278995204 1143889758 /nfs/dbraw/zinc/88/97/58/1143889758.db2.gz CDORXSXXGZZXGH-OAHLLOKOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001263865844 1144416543 /nfs/dbraw/zinc/41/65/43/1144416543.db2.gz VYVDMSFXLCAGMY-VQHPVUNQSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001264751905 1144606887 /nfs/dbraw/zinc/60/68/87/1144606887.db2.gz QVORBOSKHOUHFI-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265394999 1144701800 /nfs/dbraw/zinc/70/18/00/1144701800.db2.gz MWBCSRXENUWOKA-IRXDYDNUSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001265398551 1144702107 /nfs/dbraw/zinc/70/21/07/1144702107.db2.gz DDERRCGFEYYLKR-SFHVURJKSA-N 2 0 319.493 2.056 20 30 DEEDRP CC#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001265526392 1144709096 /nfs/dbraw/zinc/70/90/96/1144709096.db2.gz ZOPTVIPJJLPEPN-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265696632 1144729732 /nfs/dbraw/zinc/72/97/32/1144729732.db2.gz JGDULFMPUSUUAJ-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP 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 1144821872 /nfs/dbraw/zinc/82/18/72/1144821872.db2.gz RZXQPOSTUHCFCW-XDNAFOTISA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001281684659 1144907613 /nfs/dbraw/zinc/90/76/13/1144907613.db2.gz VDELDPLJAUJMPC-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001316616953 1144930145 /nfs/dbraw/zinc/93/01/45/1144930145.db2.gz DGWFPIAFKDCXHZ-IXDOHACOSA-N 2 0 307.482 2.311 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001364547234 1145332140 /nfs/dbraw/zinc/33/21/40/1145332140.db2.gz NSIJXRNXVZGZLG-UHFFFAOYSA-N 2 0 313.445 2.371 20 30 DEEDRP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001284930384 1145975042 /nfs/dbraw/zinc/97/50/42/1145975042.db2.gz RZOBQTOXPWXTKD-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491966557 1147024585 /nfs/dbraw/zinc/02/45/85/1147024585.db2.gz GGIVOZWUNTVSSI-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001366234746 1147143742 /nfs/dbraw/zinc/14/37/42/1147143742.db2.gz XTKKNNFQFBPWGC-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001317005828 1147578507 /nfs/dbraw/zinc/57/85/07/1147578507.db2.gz LLJTVOXJYIZXTA-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001316997094 1147646613 /nfs/dbraw/zinc/64/66/13/1147646613.db2.gz BZAVEIJITNDERV-MRXNPFEDSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317064108 1147655168 /nfs/dbraw/zinc/65/51/68/1147655168.db2.gz OCSYKNFSDMNRQH-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317078695 1147657146 /nfs/dbraw/zinc/65/71/46/1147657146.db2.gz QGEVYEZQFUVRFL-KZNAEPCWSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317159510 1147668166 /nfs/dbraw/zinc/66/81/66/1147668166.db2.gz HGHSLOXTRAVQDF-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001317221410 1147678966 /nfs/dbraw/zinc/67/89/66/1147678966.db2.gz JOTJPPXQEZYEAF-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001317720384 1147747018 /nfs/dbraw/zinc/74/70/18/1147747018.db2.gz DNYMDXOCXFGXGF-SJORKVTESA-N 2 0 303.450 2.206 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001317786491 1147752290 /nfs/dbraw/zinc/75/22/90/1147752290.db2.gz AJXDZVDCOPZMND-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001326271848 1148067710 /nfs/dbraw/zinc/06/77/10/1148067710.db2.gz FDRHZCLATGKRAO-FUHWJXTLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000181087593 356072408 /nfs/dbraw/zinc/07/24/08/356072408.db2.gz HDONASJISFGSKZ-INIZCTEOSA-N 2 0 324.513 2.399 20 30 DEEDRP C=CCCC[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000181087611 356072739 /nfs/dbraw/zinc/07/27/39/356072739.db2.gz HDONASJISFGSKZ-MRXNPFEDSA-N 2 0 324.513 2.399 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181500929 356083847 /nfs/dbraw/zinc/08/38/47/356083847.db2.gz XMKIEHLZOZNWER-HOTGVXAUSA-N 2 0 300.450 2.235 20 30 DEEDRP N#CC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595620391 358503751 /nfs/dbraw/zinc/50/37/51/358503751.db2.gz NBECQWXKIXTPJG-QZTJIDSGSA-N 2 0 318.465 2.254 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)nc1 ZINC000591570864 357737083 /nfs/dbraw/zinc/73/70/83/357737083.db2.gz XUMYRZSCYPLSFH-WBVHZDCISA-N 2 0 313.449 2.029 20 30 DEEDRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1C#N ZINC000443986465 238133619 /nfs/dbraw/zinc/13/36/19/238133619.db2.gz IZERWLNFOAMQSS-INIZCTEOSA-N 2 0 301.434 2.457 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000355580814 133035018 /nfs/dbraw/zinc/03/50/18/133035018.db2.gz QJAROHQYGQUPII-UHFFFAOYSA-N 2 0 302.466 2.264 20 30 DEEDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000362033240 133206594 /nfs/dbraw/zinc/20/65/94/133206594.db2.gz SUPINIFMNSYMFL-CRAIPNDOSA-N 2 0 312.461 2.377 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000111495932 401717248 /nfs/dbraw/zinc/71/72/48/401717248.db2.gz YIDXNIRKKKIGNR-KRWDZBQOSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CCN(C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000121169291 402018271 /nfs/dbraw/zinc/01/82/71/402018271.db2.gz AJCRTCNEFIVIRF-UHFFFAOYSA-N 2 0 315.461 2.147 20 30 DEEDRP CC[NH+](CC)[C@@H](C)CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000104167113 402199478 /nfs/dbraw/zinc/19/94/78/402199478.db2.gz KBQWKJPDXZODFL-LBPRGKRZSA-N 2 0 308.426 2.161 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000236662442 402372361 /nfs/dbraw/zinc/37/23/61/402372361.db2.gz HIMOSHODQBGTOE-IRXDYDNUSA-N 2 0 319.493 2.191 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000186596084 402446431 /nfs/dbraw/zinc/44/64/31/402446431.db2.gz YHGATLYJWNSNGZ-CVEARBPZSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000181689876 402653810 /nfs/dbraw/zinc/65/38/10/402653810.db2.gz JFINPSREWZEADB-HZPDHXFCSA-N 2 0 300.450 2.092 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)N1 ZINC000262639645 402728669 /nfs/dbraw/zinc/72/86/69/402728669.db2.gz HNQYFNZPQIZIGS-CABCVRRESA-N 2 0 300.450 2.498 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)N1 ZINC000262660336 402729484 /nfs/dbraw/zinc/72/94/84/402729484.db2.gz MUQZTGIBWYWWQC-CABCVRRESA-N 2 0 300.450 2.498 20 30 DEEDRP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCCN1CC[NH+](C)CC1 ZINC000182964055 402730091 /nfs/dbraw/zinc/73/00/91/402730091.db2.gz DHPFBTUMHPWTCY-UHFFFAOYSA-N 2 0 319.880 2.261 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2[nH]c(C)cc2c1 ZINC000285153461 403278652 /nfs/dbraw/zinc/27/86/52/403278652.db2.gz RYRMSSTVCJRYME-MRXNPFEDSA-N 2 0 313.449 2.365 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292408171 403359827 /nfs/dbraw/zinc/35/98/27/403359827.db2.gz YECOBWLVOIAYGC-XIRDDKMYSA-N 2 0 318.440 2.460 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339057958 403338903 /nfs/dbraw/zinc/33/89/03/403338903.db2.gz JSKMHFFUGHIUGQ-AEFFLSMTSA-N 2 0 304.482 2.169 20 30 DEEDRP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1O ZINC000346855806 403604863 /nfs/dbraw/zinc/60/48/63/403604863.db2.gz VUOTYCDIRNSDBP-ARFHVFGLSA-N 2 0 302.418 2.298 20 30 DEEDRP COC1([C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)C2(OC)CCC2)CCC1 ZINC000412029598 404065697 /nfs/dbraw/zinc/06/56/97/404065697.db2.gz YNDRQJAZMRDIDZ-IYBDPMFKSA-N 2 0 308.466 2.084 20 30 DEEDRP C[C@H]1CSCC[NH+](CC#CC[N@H+]2CCSC[C@H](C)C2)C1 ZINC000342127170 404385216 /nfs/dbraw/zinc/38/52/16/404385216.db2.gz LRIPNMMJESEFSO-HZPDHXFCSA-N 2 0 312.548 2.360 20 30 DEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000353388042 404820000 /nfs/dbraw/zinc/82/00/00/404820000.db2.gz POBSHVTWCVEIIT-PKOBYXMFSA-N 2 0 313.445 2.372 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000417073593 405027291 /nfs/dbraw/zinc/02/72/91/405027291.db2.gz YFSASWCPQRQBHF-GVDBMIGSSA-N 2 0 322.497 2.064 20 30 DEEDRP COc1cc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)ccc1C#N ZINC000440803218 405327405 /nfs/dbraw/zinc/32/74/05/405327405.db2.gz CBUBYWHSEKQMJJ-QGZVFWFLSA-N 2 0 317.433 2.013 20 30 DEEDRP C=C(C)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000459003093 405686718 /nfs/dbraw/zinc/68/67/18/405686718.db2.gz OJEZJTJBXSTRIW-MRXNPFEDSA-N 2 0 310.486 2.010 20 30 DEEDRP C=CCOc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433146779 405878449 /nfs/dbraw/zinc/87/84/49/405878449.db2.gz WNPNRFMEGBAATJ-UHFFFAOYSA-N 2 0 317.433 2.393 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])C(C)C ZINC000659436707 425602373 /nfs/dbraw/zinc/60/23/73/425602373.db2.gz PLMPMILAIRTYTG-OAHLLOKOSA-N 2 0 310.486 2.064 20 30 DEEDRP C=CC[C@@]1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CCC[NH2+]1 ZINC000662815704 425742650 /nfs/dbraw/zinc/74/26/50/425742650.db2.gz SESISCWWWBQQFO-INIZCTEOSA-N 2 0 320.462 2.247 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000662661882 425705590 /nfs/dbraw/zinc/70/55/90/425705590.db2.gz WIYSMTAGEWAMRE-AEFFLSMTSA-N 2 0 301.434 2.104 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000662661884 425706933 /nfs/dbraw/zinc/70/69/33/425706933.db2.gz WIYSMTAGEWAMRE-SJLPKXTDSA-N 2 0 301.434 2.104 20 30 DEEDRP C=CC[C@@]1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000662674980 425709057 /nfs/dbraw/zinc/70/90/57/425709057.db2.gz HZNAMIKSPQDVGZ-SFHVURJKSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001329759433 1148988715 /nfs/dbraw/zinc/98/87/15/1148988715.db2.gz CAVGQOIEUSWDNC-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC1(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000582721174 337125049 /nfs/dbraw/zinc/12/50/49/337125049.db2.gz WJFDMUQLUFAFQI-BBWFWOEESA-N 2 0 310.482 2.183 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330243202 1149076768 /nfs/dbraw/zinc/07/67/68/1149076768.db2.gz FSXDKNGYKRCWIK-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCCC2CC[NH+](C)CC2)cc1OC ZINC000264113593 533989341 /nfs/dbraw/zinc/98/93/41/533989341.db2.gz RVKGBFLZBWHMER-UHFFFAOYSA-N 2 0 320.437 2.162 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327488466 1148566537 /nfs/dbraw/zinc/56/65/37/1148566537.db2.gz IREGZDXFVPIVAV-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP CN/C(=[NH+]/C)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262011418 526344667 /nfs/dbraw/zinc/34/46/67/526344667.db2.gz WQSOWQUWOJFRSV-IRXDYDNUSA-N 2 0 300.450 2.178 20 30 DEEDRP C#Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000377656266 527433088 /nfs/dbraw/zinc/43/30/88/527433088.db2.gz RVDMMUDUVNPGRY-XLIONFOSSA-N 2 0 311.473 2.126 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1coc(C[NH3+])c1)C(C)C ZINC000188082809 527649790 /nfs/dbraw/zinc/64/97/90/527649790.db2.gz LMSIJBFZTWDVFZ-MRXNPFEDSA-N 2 0 305.422 2.167 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264277090 527721841 /nfs/dbraw/zinc/72/18/41/527721841.db2.gz NBFLTNKEIFODKL-UHFFFAOYSA-N 2 0 320.481 2.468 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000264084328 529101493 /nfs/dbraw/zinc/10/14/93/529101493.db2.gz JETITODGKCHTQX-INIZCTEOSA-N 2 0 318.465 2.362 20 30 DEEDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443973929 529143871 /nfs/dbraw/zinc/14/38/71/529143871.db2.gz QWACXHZPWNWPDM-UHFFFAOYSA-N 2 0 314.477 2.374 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346146112 535730541 /nfs/dbraw/zinc/73/05/41/535730541.db2.gz VPRAZFUELLMUFZ-GJZGRUSLSA-N 2 0 318.440 2.374 20 30 DEEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346146104 535741112 /nfs/dbraw/zinc/74/11/12/535741112.db2.gz VPRAZFUELLMUFZ-CABCVRRESA-N 2 0 318.440 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001026304920 625283191 /nfs/dbraw/zinc/28/31/91/625283191.db2.gz RUYQATNNHSGHAT-CGTJXYLNSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761796 625427664 /nfs/dbraw/zinc/42/76/64/625427664.db2.gz JMQZXVFMKPPSDA-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025467707 625461602 /nfs/dbraw/zinc/46/16/02/625461602.db2.gz CIXNRMFBLGKDIT-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001026586536 625548279 /nfs/dbraw/zinc/54/82/79/625548279.db2.gz OODQTKQAPYEJKN-UHFFFAOYSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000969965473 623023485 /nfs/dbraw/zinc/02/34/85/623023485.db2.gz OXABTPCOOHCGBP-GOSISDBHSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970017483 623056948 /nfs/dbraw/zinc/05/69/48/623056948.db2.gz WHQUPIKBBIPLDK-CYBMUJFWSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021603694 623816824 /nfs/dbraw/zinc/81/68/24/623816824.db2.gz QXIGDQQWPQGINW-DOTOQJQBSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437846 624056269 /nfs/dbraw/zinc/05/62/69/624056269.db2.gz TYWBVRUITCYPJB-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971667009 624497931 /nfs/dbraw/zinc/49/79/31/624497931.db2.gz HCPULRAXLIBGLO-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000998902652 634442528 /nfs/dbraw/zinc/44/25/28/634442528.db2.gz WLDFQXYEDLMODG-BDVYOWHSSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998902792 634442656 /nfs/dbraw/zinc/44/26/56/634442656.db2.gz YHWIMXCJMWVFSF-AQFXKWCLSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365188 625239676 /nfs/dbraw/zinc/23/96/76/625239676.db2.gz YZQNNRBEYHUMRO-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001026267879 625240472 /nfs/dbraw/zinc/24/04/72/625240472.db2.gz RMMGKYBURBDMEX-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001024647145 625949253 /nfs/dbraw/zinc/94/92/53/625949253.db2.gz JQMJFYLZHOVQTB-GJZGRUSLSA-N 2 0 316.449 2.376 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999505452 634613027 /nfs/dbraw/zinc/61/30/27/634613027.db2.gz JNEDSWIHOZINMD-JCYILVPMSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000260194 634828740 /nfs/dbraw/zinc/82/87/40/634828740.db2.gz KWGCFTZYHAXPAQ-RDJZCZTQSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024691719 632926839 /nfs/dbraw/zinc/92/68/39/632926839.db2.gz AAPHSAUWXQPTJT-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974771357 633294583 /nfs/dbraw/zinc/29/45/83/633294583.db2.gz CSVABPPLSNJDAT-MRXNPFEDSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974769253 633294751 /nfs/dbraw/zinc/29/47/51/633294751.db2.gz XBWOABOBWTVWNL-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997180356 633669704 /nfs/dbraw/zinc/66/97/04/633669704.db2.gz PYKQDNWPFCFVHM-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997584715 633886363 /nfs/dbraw/zinc/88/63/63/633886363.db2.gz OXKMPSXNRYYRGV-MAUKXSAKSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006287 634107265 /nfs/dbraw/zinc/10/72/65/634107265.db2.gz KLEUKFLOEUOJAE-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cnc3C)C[C@@H]2C1 ZINC000980235123 634903905 /nfs/dbraw/zinc/90/39/05/634903905.db2.gz ZOULYOCRFBQQCV-XHSDSOJGSA-N 2 0 316.449 2.053 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027919018 634965823 /nfs/dbraw/zinc/96/58/23/634965823.db2.gz SFAOGQAXQRMTOR-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(CC)CC ZINC001027944086 635031973 /nfs/dbraw/zinc/03/19/73/635031973.db2.gz SZXGECOLTKJZAH-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001000368053 635156547 /nfs/dbraw/zinc/15/65/47/635156547.db2.gz DJPOJFKQCVEYLC-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001000368068 635156846 /nfs/dbraw/zinc/15/68/46/635156846.db2.gz DJPOJFKQCVEYLC-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000660859 635260618 /nfs/dbraw/zinc/26/06/18/635260618.db2.gz RUYOWKPFLKMQHN-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000683505 635275769 /nfs/dbraw/zinc/27/57/69/635275769.db2.gz ULDZXKVVEWKSSA-QZTJIDSGSA-N 2 0 317.477 2.185 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000991607 635383288 /nfs/dbraw/zinc/38/32/88/635383288.db2.gz IQJOIBLMWBTYFI-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)c2cccc3nccn32)CC1 ZINC001001628136 635533975 /nfs/dbraw/zinc/53/39/75/635533975.db2.gz IYFLOMGXFILCDZ-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001923957 635577727 /nfs/dbraw/zinc/57/77/27/635577727.db2.gz JKRZEDZCYKMZGE-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001002045595 635605032 /nfs/dbraw/zinc/60/50/32/635605032.db2.gz LTVUGTINHSGJCO-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982598802 636301772 /nfs/dbraw/zinc/30/17/72/636301772.db2.gz LCFFLVIMVJHFEJ-RYQLBKOJSA-N 2 0 316.449 2.191 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982736586 636384385 /nfs/dbraw/zinc/38/43/85/636384385.db2.gz PRNRTYIJSMIPSE-QRQLOZEOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592246 636433047 /nfs/dbraw/zinc/43/30/47/636433047.db2.gz IYAFFUUQXYZEGX-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623960 636477107 /nfs/dbraw/zinc/47/71/07/636477107.db2.gz WHBBLGJDIIPSFM-KSZLIROESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633209 636499375 /nfs/dbraw/zinc/49/93/75/636499375.db2.gz MVQCPDOZIJNVKX-KSZLIROESA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028754363 636700463 /nfs/dbraw/zinc/70/04/63/636700463.db2.gz CXHNUZBLERIWAO-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005663369 636809552 /nfs/dbraw/zinc/80/95/52/636809552.db2.gz ABZHGQWHKHDUMR-UHFFFAOYSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001005884627 636930200 /nfs/dbraw/zinc/93/02/00/636930200.db2.gz PPAAZJFUKOBIIJ-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C[NH+]=C(NCC1CCSCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000086899632 636978088 /nfs/dbraw/zinc/97/80/88/636978088.db2.gz PRLWFJOXZYUTPL-MRXNPFEDSA-N 2 0 324.538 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001006001839 637062145 /nfs/dbraw/zinc/06/21/45/637062145.db2.gz RUHWLJBTHAKXNC-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](O)CN(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923335802 637122511 /nfs/dbraw/zinc/12/25/11/637122511.db2.gz DULFZHDOMJNLLX-GJZGRUSLSA-N 2 0 309.479 2.190 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000923358473 637133274 /nfs/dbraw/zinc/13/32/74/637133274.db2.gz HMELWKOEDXBJNZ-GUDVDZBRSA-N 2 0 313.445 2.303 20 30 DEEDRP 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 637189346 /nfs/dbraw/zinc/18/93/46/637189346.db2.gz UNINZRKHNCOZRQ-USTZCAOPSA-N 2 0 319.493 2.216 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006291638 637330972 /nfs/dbraw/zinc/33/09/72/637330972.db2.gz GPDGLMMQKLQCMW-SJLPKXTDSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000985685712 639584056 /nfs/dbraw/zinc/58/40/56/639584056.db2.gz IKUZMROPCDABOO-QGZVFWFLSA-N 2 0 307.482 2.358 20 30 DEEDRP C[C@@H]1CNC(NN=C2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)=[NH+]1 ZINC000841633317 650527076 /nfs/dbraw/zinc/52/70/76/650527076.db2.gz KOGQLUMFCQIXCX-CXAGYDPISA-N 2 0 311.433 2.279 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000987122186 640092750 /nfs/dbraw/zinc/09/27/50/640092750.db2.gz CHZJVPUDQIPLSI-UKRRQHHQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000764463654 640639993 /nfs/dbraw/zinc/63/99/93/640639993.db2.gz PCSIVWIWYQDSES-UHFFFAOYSA-N 2 0 319.474 2.292 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000764614156 640664747 /nfs/dbraw/zinc/66/47/47/640664747.db2.gz TVJHOLTZFABUEA-WMZOPIPTSA-N 2 0 315.461 2.274 20 30 DEEDRP CC(C)([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000903933406 643514234 /nfs/dbraw/zinc/51/42/34/643514234.db2.gz QSSMOOGKTUZDCH-INIZCTEOSA-N 2 0 324.432 2.099 20 30 DEEDRP C[C@H]1CNC(NN=C2CCC([N@H+](C)Cc3ccccc3)CC2)=[NH+]1 ZINC000797786111 644923568 /nfs/dbraw/zinc/92/35/68/644923568.db2.gz HLEUYTZPXXEZGN-MBIQTGHCSA-N 2 0 313.449 2.354 20 30 DEEDRP [NH2+]=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCSCC1 ZINC000170911811 646675386 /nfs/dbraw/zinc/67/53/86/646675386.db2.gz NKKBHGSUDPEANB-UHFFFAOYSA-N 2 0 318.490 2.146 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992149867 646874826 /nfs/dbraw/zinc/87/48/26/646874826.db2.gz OEIDLEFWLWIASP-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992189942 646894602 /nfs/dbraw/zinc/89/46/02/646894602.db2.gz OEZQBMALTHVRFI-XYJFISCASA-N 2 0 305.466 2.160 20 30 DEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000817974945 647397874 /nfs/dbraw/zinc/39/78/74/647397874.db2.gz OOFICHILWDTLLL-MRXNPFEDSA-N 2 0 316.445 2.365 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993322206 647603542 /nfs/dbraw/zinc/60/35/42/647603542.db2.gz CFZWZTYMDTXQNN-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H]1C ZINC000994273225 647892121 /nfs/dbraw/zinc/89/21/21/647892121.db2.gz ZDROFMUPQBLGDV-GOEBONIOSA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757236 648940001 /nfs/dbraw/zinc/94/00/01/648940001.db2.gz WJFYWXVUXOAQRC-OAGGEKHMSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940790033 648941704 /nfs/dbraw/zinc/94/17/04/648941704.db2.gz SFIYNBKMIYGYNP-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076269 648995527 /nfs/dbraw/zinc/99/55/27/648995527.db2.gz VBLJMIMLYCHWKQ-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000941169533 649014710 /nfs/dbraw/zinc/01/47/10/649014710.db2.gz OJWIYPHLGDEUKZ-INIZCTEOSA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372328 649096504 /nfs/dbraw/zinc/09/65/04/649096504.db2.gz CEGDYHAYAFZRPT-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172378 649174269 /nfs/dbraw/zinc/17/42/69/649174269.db2.gz JSBZRMCHUOWKBT-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257923 649191892 /nfs/dbraw/zinc/19/18/92/649191892.db2.gz MUWZSIDMMHHLBG-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581587 649253342 /nfs/dbraw/zinc/25/33/42/649253342.db2.gz JJBTXDIMMVSYGV-GDBMZVCRSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598440 649257297 /nfs/dbraw/zinc/25/72/97/649257297.db2.gz XNBJSBVVDYSIRS-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCOCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000851746620 652224942 /nfs/dbraw/zinc/22/49/42/652224942.db2.gz AUURAJSHOKDKIC-UHFFFAOYSA-N 2 0 300.446 2.480 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054153281 693864074 /nfs/dbraw/zinc/86/40/74/693864074.db2.gz NOJWFVLPTYVWPK-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000303775327 685233963 /nfs/dbraw/zinc/23/39/63/685233963.db2.gz GRZZASTVPAFOMN-UHFFFAOYSA-N 2 0 320.506 2.392 20 30 DEEDRP CCC(CC)[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCC1 ZINC000303773721 685234332 /nfs/dbraw/zinc/23/43/32/685234332.db2.gz FJQICWSXSKVXCX-HNNXBMFYSA-N 2 0 312.527 2.251 20 30 DEEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NCCc1ccccc1 ZINC000303777088 685234585 /nfs/dbraw/zinc/23/45/85/685234585.db2.gz IPFYCJRNUZOQGR-MRXNPFEDSA-N 2 0 302.466 2.398 20 30 DEEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000303877671 685236880 /nfs/dbraw/zinc/23/68/80/685236880.db2.gz FMYSXLPBUNEIHA-HZPDHXFCSA-N 2 0 302.466 2.396 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001054905465 694068887 /nfs/dbraw/zinc/06/88/87/694068887.db2.gz FTTKURJVJBLFLB-ABAIWWIYSA-N 2 0 318.808 2.137 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001054969215 694084395 /nfs/dbraw/zinc/08/43/95/694084395.db2.gz PBASFCJARDESST-JSGCOSHPSA-N 2 0 313.873 2.050 20 30 DEEDRP CCCCCCCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710268 687662262 /nfs/dbraw/zinc/66/22/62/687662262.db2.gz XCOYVMYFJWBFFC-OAGGEKHMSA-N 2 0 309.454 2.214 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016686959 687682090 /nfs/dbraw/zinc/68/20/90/687682090.db2.gz FJSHSBUHYPSAFG-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001019812479 688413321 /nfs/dbraw/zinc/41/33/21/688413321.db2.gz RANBCKULLJYJEJ-INIZCTEOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001020156715 688475530 /nfs/dbraw/zinc/47/55/30/688475530.db2.gz XPUQLZBLRCXDLP-BZUAXINKSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001026496955 688529206 /nfs/dbraw/zinc/52/92/06/688529206.db2.gz CQWSBOWHIMHBLD-SJJHQCBESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730834 688987667 /nfs/dbraw/zinc/98/76/67/688987667.db2.gz ZMACJQIDQMSGIM-KRWDZBQOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488993 689165859 /nfs/dbraw/zinc/16/58/59/689165859.db2.gz RLMYZKZENMVTMR-HOTGVXAUSA-N 2 0 310.401 2.118 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213861 689427127 /nfs/dbraw/zinc/42/71/27/689427127.db2.gz OAPMHNKXELHXMI-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033876676 689647129 /nfs/dbraw/zinc/64/71/29/689647129.db2.gz ACNBURLRABEGGK-KRWDZBQOSA-N 2 0 324.428 2.202 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284132 689794129 /nfs/dbraw/zinc/79/41/29/689794129.db2.gz HUJMDAUQLCEYSQ-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285367 689795007 /nfs/dbraw/zinc/79/50/07/689795007.db2.gz CMRXWWSEAFSBLN-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034284962 689795291 /nfs/dbraw/zinc/79/52/91/689795291.db2.gz AIVQUAQJPQYAMB-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000876722507 689915344 /nfs/dbraw/zinc/91/53/44/689915344.db2.gz WXZJFNXPDRJEKR-HUUCEWRRSA-N 2 0 315.889 2.329 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000876732414 689919850 /nfs/dbraw/zinc/91/98/50/689919850.db2.gz VMLMAZVRPVQHJS-CABCVRRESA-N 2 0 309.841 2.184 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000876876454 689961576 /nfs/dbraw/zinc/96/15/76/689961576.db2.gz PQRDGAHUWOEASL-CQSZACIVSA-N 2 0 301.862 2.035 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036763021 690463510 /nfs/dbraw/zinc/46/35/10/690463510.db2.gz UIMCAQHSZTYEJR-SJLPKXTDSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773319 690469458 /nfs/dbraw/zinc/46/94/58/690469458.db2.gz LEFTZPRAMGNXAK-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820580 690486134 /nfs/dbraw/zinc/48/61/34/690486134.db2.gz LHKYGCIBNGHRFR-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039138259 691030733 /nfs/dbraw/zinc/03/07/33/691030733.db2.gz XBIKXAUNSILMME-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163333 691036577 /nfs/dbraw/zinc/03/65/77/691036577.db2.gz AKIUPDXFIUAVFH-WMZOPIPTSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039280842 691074236 /nfs/dbraw/zinc/07/42/36/691074236.db2.gz DGBJYRDTTIQUJO-FBVQUNGASA-N 2 0 317.477 2.016 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241716 691219238 /nfs/dbraw/zinc/21/92/38/691219238.db2.gz RPLFHQKQFFKDFN-PKOBYXMFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542053 691263293 /nfs/dbraw/zinc/26/32/93/691263293.db2.gz FLLBXUNKLOHXKJ-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041474820 691381810 /nfs/dbraw/zinc/38/18/10/691381810.db2.gz DCLWHAVHWFVFFR-IBGZPJMESA-N 2 0 324.428 2.448 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767137 691426875 /nfs/dbraw/zinc/42/68/75/691426875.db2.gz FLPRQLNULVEBRF-LJQANCHMSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044741689 691880641 /nfs/dbraw/zinc/88/06/41/691880641.db2.gz CMLWAZOLJQSUKR-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001045442593 691981774 /nfs/dbraw/zinc/98/17/74/691981774.db2.gz ZGQAIMFSCQQEJG-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001045442592 691981932 /nfs/dbraw/zinc/98/19/32/691981932.db2.gz ZGQAIMFSCQQEJG-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000886080706 691999602 /nfs/dbraw/zinc/99/96/02/691999602.db2.gz FXSXWPFMMHNJGJ-SZMVWBNQSA-N 2 0 317.477 2.380 20 30 DEEDRP C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000886316755 692054304 /nfs/dbraw/zinc/05/43/04/692054304.db2.gz LWUBRPAXGQGWCN-DOTOQJQBSA-N 2 0 314.433 2.037 20 30 DEEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001046738880 692279044 /nfs/dbraw/zinc/27/90/44/692279044.db2.gz DHZHKWYRYZYGJS-LJQANCHMSA-N 2 0 322.412 2.090 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047244905 692402020 /nfs/dbraw/zinc/40/20/20/692402020.db2.gz VOBVDADWIYGUFH-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516625 692907821 /nfs/dbraw/zinc/90/78/21/692907821.db2.gz DTKUXTVKKBUBCM-JKSUJKDBSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049518114 692908859 /nfs/dbraw/zinc/90/88/59/692908859.db2.gz QFDXBJNLPGHJQN-HZPDHXFCSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535237 692914989 /nfs/dbraw/zinc/91/49/89/692914989.db2.gz ZGXFRJNHUXBAJC-ZACQAIPSSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568675 692924060 /nfs/dbraw/zinc/92/40/60/692924060.db2.gz VWTNHEVTNHERPA-IRXDYDNUSA-N 2 0 317.477 2.256 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846204 693020255 /nfs/dbraw/zinc/02/02/55/693020255.db2.gz GIYSGOOUNINOGJ-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049920598 693047947 /nfs/dbraw/zinc/04/79/47/693047947.db2.gz SOLDRGAYBIHKDW-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663395 693227385 /nfs/dbraw/zinc/22/73/85/693227385.db2.gz SRTBKDZLOFMDGH-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001050764969 693246212 /nfs/dbraw/zinc/24/62/12/693246212.db2.gz DVNUWCDOQVKLQR-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@H](c1cccc(C[NH+](C)C)c1)[NH+]1CCN(CCC#N)CC1 ZINC000926808050 693514620 /nfs/dbraw/zinc/51/46/20/693514620.db2.gz PZTQCYJFSHXMTR-MRXNPFEDSA-N 2 0 300.450 2.340 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384201 693520378 /nfs/dbraw/zinc/52/03/78/693520378.db2.gz AZGVONXWMUOFHE-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052427169 693531850 /nfs/dbraw/zinc/53/18/50/693531850.db2.gz WNBXSBUUIDAXRR-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526902 693559166 /nfs/dbraw/zinc/55/91/66/693559166.db2.gz MRGVNUACEDWUHF-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591418 693574662 /nfs/dbraw/zinc/57/46/62/693574662.db2.gz PUBYGDNAEXUPMJ-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052859271 693634908 /nfs/dbraw/zinc/63/49/08/693634908.db2.gz KRDAKAYAQCYJAS-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[C@]1(C(=O)NCCCCCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001354761127 1151933943 /nfs/dbraw/zinc/93/39/43/1151933943.db2.gz WRSPSHVISFNEDB-GOSISDBHSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001382084193 1153351246 /nfs/dbraw/zinc/35/12/46/1153351246.db2.gz CCDOQHKGGIGWAR-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001389528208 1155362441 /nfs/dbraw/zinc/36/24/41/1155362441.db2.gz MDPBAKSNFVVCJZ-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001373291136 1156937873 /nfs/dbraw/zinc/93/78/73/1156937873.db2.gz QMYGVKIACZBZNA-HUUCEWRRSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001373768015 1157350419 /nfs/dbraw/zinc/35/04/19/1157350419.db2.gz BRJISXDFAMRBJX-ZDUSSCGKSA-N 2 0 320.824 2.493 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001394510681 1158600461 /nfs/dbraw/zinc/60/04/61/1158600461.db2.gz MOSKBBBSHWJUPD-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001376979721 1159862946 /nfs/dbraw/zinc/86/29/46/1159862946.db2.gz KDGHZHMTHANZBZ-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001404622549 1163756940 /nfs/dbraw/zinc/75/69/40/1163756940.db2.gz VLVJUQWLBVHKEI-OAHLLOKOSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001406184876 1164497702 /nfs/dbraw/zinc/49/77/02/1164497702.db2.gz NFEWOUKRRUDGLD-HUUCEWRRSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001423013484 1173015957 /nfs/dbraw/zinc/01/59/57/1173015957.db2.gz ZEMLXFYFOOGZQY-HUUCEWRRSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001436669381 1179176501 /nfs/dbraw/zinc/17/65/01/1179176501.db2.gz OIEKNEXXEIGOKT-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438308813 1180337776 /nfs/dbraw/zinc/33/77/76/1180337776.db2.gz FMPYAGKJPSKULR-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001441674636 1182124616 /nfs/dbraw/zinc/12/46/16/1182124616.db2.gz HTLMPDIIAZTONH-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)CN1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001442842510 1182741111 /nfs/dbraw/zinc/74/11/11/1182741111.db2.gz HGYRBMLKVDXBMY-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001446579466 1184426026 /nfs/dbraw/zinc/42/60/26/1184426026.db2.gz HFCHBDRLECLYMX-MRXNPFEDSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001332149293 1149825754 /nfs/dbraw/zinc/82/57/54/1149825754.db2.gz UBRWOIROMFMACY-OKZBNKHCSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072827583 790264003 /nfs/dbraw/zinc/26/40/03/790264003.db2.gz PQKQVJGLJHVWAO-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001332859796 1149905373 /nfs/dbraw/zinc/90/53/73/1149905373.db2.gz KCKPMFWDYUAQGJ-SJORKVTESA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001408119736 1165486105 /nfs/dbraw/zinc/48/61/05/1165486105.db2.gz OBZIDIJHTKKATO-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001333167800 1150010073 /nfs/dbraw/zinc/01/00/73/1150010073.db2.gz RICKVUHMRPGRGN-QGZVFWFLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672778 782844911 /nfs/dbraw/zinc/84/49/11/782844911.db2.gz KENUHARKEBJPOA-HZPDHXFCSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524419 783002383 /nfs/dbraw/zinc/00/23/83/783002383.db2.gz VGRLONGIQOWHPN-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437326 783136187 /nfs/dbraw/zinc/13/61/87/783136187.db2.gz QNYTWYUVRORXOV-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559679 783205786 /nfs/dbraw/zinc/20/57/86/783205786.db2.gz RAWXBVCVSZWLFK-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035185 790407364 /nfs/dbraw/zinc/40/73/64/790407364.db2.gz AOXZVFPJTGTXBH-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167610167 777390110 /nfs/dbraw/zinc/39/01/10/777390110.db2.gz QPKLKWDCDWWAJP-AWEZNQCLSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397006 777660456 /nfs/dbraw/zinc/66/04/56/777660456.db2.gz BJZYPVPDPTVTGH-ZWKOTPCHSA-N 2 0 308.466 2.154 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001104641427 777989522 /nfs/dbraw/zinc/98/95/22/777989522.db2.gz RCFIOJKQRKIGHT-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522547 778060012 /nfs/dbraw/zinc/06/00/12/778060012.db2.gz DJIJILONPGYZTO-HKUYNNGSSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529803 778608431 /nfs/dbraw/zinc/60/84/31/778608431.db2.gz PZMAKWRDAMWTIM-AOIWGVFYSA-N 2 0 319.493 2.265 20 30 DEEDRP CN(C)/C=[NH+]/c1ccc(NCC[NH+]2CCSCC2)cc1C#N ZINC001167836699 778694359 /nfs/dbraw/zinc/69/43/59/778694359.db2.gz DCKZQJKTHAZHSI-CPNJWEJPSA-N 2 0 317.462 2.240 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684838 779409068 /nfs/dbraw/zinc/40/90/68/779409068.db2.gz RBZWMYPQPPTFPW-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088014145 779634929 /nfs/dbraw/zinc/63/49/29/779634929.db2.gz HSCPLQHBYZMDOX-SQNIBIBYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212167 779774032 /nfs/dbraw/zinc/77/40/32/779774032.db2.gz TYSLWQYKWPJDGB-MSOLQXFVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088277613 779901123 /nfs/dbraw/zinc/90/11/23/779901123.db2.gz DIRBATVQJILSLV-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413315 780087437 /nfs/dbraw/zinc/08/74/37/780087437.db2.gz CSCWEOPTIUSKAI-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001088419139 780098962 /nfs/dbraw/zinc/09/89/62/780098962.db2.gz IRZSRSXIVXEPJC-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001144417760 790898646 /nfs/dbraw/zinc/89/86/46/790898646.db2.gz IOIOQQUUVYUKFJ-UHFFFAOYSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641332 783310223 /nfs/dbraw/zinc/31/02/23/783310223.db2.gz KVDIUJYOXUPOAW-DLBZAZTESA-N 2 0 319.493 2.121 20 30 DEEDRP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671272 783341669 /nfs/dbraw/zinc/34/16/69/783341669.db2.gz NBGVAKKPXLMJLC-QGZVFWFLSA-N 2 0 324.428 2.188 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439279 783465165 /nfs/dbraw/zinc/46/51/65/783465165.db2.gz LWPYDWNCJMXAKU-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570814 783507079 /nfs/dbraw/zinc/50/70/79/783507079.db2.gz RLYQFXHPJHKGOG-INIZCTEOSA-N 2 0 324.428 2.202 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966099100 783560810 /nfs/dbraw/zinc/56/08/10/783560810.db2.gz CHCZHANTOVLMDV-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966102516 783562913 /nfs/dbraw/zinc/56/29/13/783562913.db2.gz JBJFREMEILSXFN-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001085432148 783680852 /nfs/dbraw/zinc/68/08/52/783680852.db2.gz KLYPYLCYSKZPIP-QZTJIDSGSA-N 2 0 313.445 2.012 20 30 DEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001171201700 790968064 /nfs/dbraw/zinc/96/80/64/790968064.db2.gz QCSBSRVQXWJDFX-OAHLLOKOSA-N 2 0 313.445 2.190 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266065 783916920 /nfs/dbraw/zinc/91/69/20/783916920.db2.gz ZKNCYZDXCWHWPH-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221338 784500610 /nfs/dbraw/zinc/50/06/10/784500610.db2.gz PCAMXUOMBQXQDL-YYIAUSFCSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969037986 784699138 /nfs/dbraw/zinc/69/91/38/784699138.db2.gz QVOGHBVHDTXNBF-ARFHVFGLSA-N 2 0 316.449 2.070 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330321 784770016 /nfs/dbraw/zinc/77/00/16/784770016.db2.gz GMGANSMEAQCYPL-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007321950 784887608 /nfs/dbraw/zinc/88/76/08/784887608.db2.gz SUMVNWDKIWLHQX-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001007457369 784925560 /nfs/dbraw/zinc/92/55/60/784925560.db2.gz MGHPJWQBSCKWPM-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007746854 784989111 /nfs/dbraw/zinc/98/91/11/784989111.db2.gz OQMPPULBQOLVTH-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169142096 785062422 /nfs/dbraw/zinc/06/24/22/785062422.db2.gz ZSGYRZKXJBLRGB-XCDZQEORSA-N 2 0 320.477 2.438 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008267663 785157365 /nfs/dbraw/zinc/15/73/65/785157365.db2.gz BZZCVQWQZVCBAH-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112567475 786160530 /nfs/dbraw/zinc/16/05/30/786160530.db2.gz QXHUZSWDHIAXOB-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001086562944 786252390 /nfs/dbraw/zinc/25/23/90/786252390.db2.gz PUBWRIALGOPOLB-SHTZXODSSA-N 2 0 319.449 2.405 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001113257654 786477749 /nfs/dbraw/zinc/47/77/49/786477749.db2.gz DTYZYGNGOUTDNS-IKGGRYGDSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001113432269 786591500 /nfs/dbraw/zinc/59/15/00/786591500.db2.gz VQPXEIAEDGTKPJ-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113538627 786668544 /nfs/dbraw/zinc/66/85/44/786668544.db2.gz XYXZUPRQOXYCQQ-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014723862 786723543 /nfs/dbraw/zinc/72/35/43/786723543.db2.gz RQYVKUMNDNCYHT-WBVHZDCISA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086694556 788192903 /nfs/dbraw/zinc/19/29/03/788192903.db2.gz YBHKFBFZSNPPAA-GVDBMIGSSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133039732 788257754 /nfs/dbraw/zinc/25/77/54/788257754.db2.gz VLGGDOAZVRRAFQ-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133039733 788258201 /nfs/dbraw/zinc/25/82/01/788258201.db2.gz VLGGDOAZVRRAFQ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133123046 788288831 /nfs/dbraw/zinc/28/88/31/788288831.db2.gz XYZDCMADVARUMQ-SJORKVTESA-N 2 0 321.509 2.062 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001133186408 788311016 /nfs/dbraw/zinc/31/10/16/788311016.db2.gz UOWSBJLQZBPYJE-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133245657 788331466 /nfs/dbraw/zinc/33/14/66/788331466.db2.gz IMDRWDVFVXXDQA-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(OCC#N)cc2)CC1 ZINC001212606945 788337739 /nfs/dbraw/zinc/33/77/39/788337739.db2.gz FEHRLXBZYXLOLG-UHFFFAOYSA-N 2 0 323.400 2.479 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133890472 788659091 /nfs/dbraw/zinc/65/90/91/788659091.db2.gz SDZXXWIGXRRBDZ-UHFFFAOYSA-N 2 0 303.450 2.076 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783010 789083140 /nfs/dbraw/zinc/08/31/40/789083140.db2.gz KEHWEHWCBNNESJ-HOTGVXAUSA-N 2 0 318.465 2.357 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086739926 789387712 /nfs/dbraw/zinc/38/77/12/789387712.db2.gz AAEPSPMRRYDZIC-BBWFWOEESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507705 789747956 /nfs/dbraw/zinc/74/79/56/789747956.db2.gz AKFDOEFHWZMOEI-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627748 789825772 /nfs/dbraw/zinc/82/57/72/789825772.db2.gz KSYDDJJYDFXEKD-HIFRSBDPSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071645885 789838742 /nfs/dbraw/zinc/83/87/42/789838742.db2.gz OSPAPJGLXPQSSE-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735529 789896933 /nfs/dbraw/zinc/89/69/33/789896933.db2.gz NMVHREUMOFFNDJ-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071996824 790004498 /nfs/dbraw/zinc/00/44/98/790004498.db2.gz VHEFUGGEBBHMEC-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583751 791310332 /nfs/dbraw/zinc/31/03/32/791310332.db2.gz PAGQFXWAJWANQG-JKSUJKDBSA-N 2 0 315.461 2.258 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001146706534 791344190 /nfs/dbraw/zinc/34/41/90/791344190.db2.gz GKXRXGSVXJFETE-IAGOWNOFSA-N 2 0 315.461 2.015 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098991459 792021046 /nfs/dbraw/zinc/02/10/46/792021046.db2.gz ZEOGCTPGBRTTHZ-AOIWGVFYSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001100468697 792670414 /nfs/dbraw/zinc/67/04/14/792670414.db2.gz LAQBLEGJBCRIJU-UHFFFAOYSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450019 792928925 /nfs/dbraw/zinc/92/89/25/792928925.db2.gz FIZVEOYBSOWWJP-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503452 792951172 /nfs/dbraw/zinc/95/11/72/792951172.db2.gz GNRPRPPJXDIPPR-IEBWSBKVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100996702 792958903 /nfs/dbraw/zinc/95/89/03/792958903.db2.gz GOJWBWDYIMBAGK-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351664 793130195 /nfs/dbraw/zinc/13/01/95/793130195.db2.gz KPXSNDKHLCVHFV-MJGOQNOKSA-N 2 0 321.509 2.465 20 30 DEEDRP COCCC[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC001172247045 793386123 /nfs/dbraw/zinc/38/61/23/793386123.db2.gz BGCIMTWCLVWVJT-UHFFFAOYSA-N 2 0 317.433 2.028 20 30 DEEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(CC(=O)OCC)CC2)CC1 ZINC001173319249 793689768 /nfs/dbraw/zinc/68/97/68/793689768.db2.gz BPADFNXEYYCTOE-UHFFFAOYSA-N 2 0 324.465 2.247 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192472 793978071 /nfs/dbraw/zinc/97/80/71/793978071.db2.gz UZXHOCPQIKDEQE-NVXWUHKLSA-N 2 0 324.428 2.045 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295923 794170056 /nfs/dbraw/zinc/17/00/56/794170056.db2.gz LJWMIRHDBIZOEI-INIZCTEOSA-N 2 0 309.498 2.252 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175767764 794284206 /nfs/dbraw/zinc/28/42/06/794284206.db2.gz JJVBBVQUXXFJTP-CQSZACIVSA-N 2 0 303.878 2.345 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855811 794502644 /nfs/dbraw/zinc/50/26/44/794502644.db2.gz NBYPLIDDMGJLLW-LPHOPBHVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111985004 794540525 /nfs/dbraw/zinc/54/05/25/794540525.db2.gz YRUOKNCVGAMBTD-LNLFQRSKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285338 794587896 /nfs/dbraw/zinc/58/78/96/794587896.db2.gz TYVNTMZTMCVVIP-SCTDSRPQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001112438929 794637615 /nfs/dbraw/zinc/63/76/15/794637615.db2.gz LOWNVSJSQNHGKX-YJBOKZPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177481422 794679608 /nfs/dbraw/zinc/67/96/08/794679608.db2.gz VXJLULRQDBZECF-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H]1C ZINC001179025491 795043764 /nfs/dbraw/zinc/04/37/64/795043764.db2.gz QLOGVCXBDFFGRO-RDJZCZTQSA-N 2 0 316.449 2.063 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179133831 795067473 /nfs/dbraw/zinc/06/74/73/795067473.db2.gz BQRTZGNBNGAXOH-SFHVURJKSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179382893 795109517 /nfs/dbraw/zinc/10/95/17/795109517.db2.gz DXTYIAWNSDOTEI-IRXDYDNUSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179788395 795176571 /nfs/dbraw/zinc/17/65/71/795176571.db2.gz YJGUWXWNMZKIHS-ZWKOTPCHSA-N 2 0 319.493 2.293 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179792493 795177671 /nfs/dbraw/zinc/17/76/71/795177671.db2.gz PIFRAWQYUORLEI-ZWKOTPCHSA-N 2 0 319.493 2.293 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180064985 795234567 /nfs/dbraw/zinc/23/45/67/795234567.db2.gz CPZBQWYGLBRAQA-MSOLQXFVSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120190587 795419830 /nfs/dbraw/zinc/41/98/30/795419830.db2.gz VYYMVWFZTHVXIS-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120448880 795461668 /nfs/dbraw/zinc/46/16/68/795461668.db2.gz HYEZEMJVDOBXPF-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518052 795497352 /nfs/dbraw/zinc/49/73/52/795497352.db2.gz NQTYJTPXMVCTHY-SFNKJDCFSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121261467 795608606 /nfs/dbraw/zinc/60/86/06/795608606.db2.gz WHRPGZFKXHVWCL-RFSHTEQGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182589304 795711442 /nfs/dbraw/zinc/71/14/42/795711442.db2.gz BYWAUNJWFULELC-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177691 795733148 /nfs/dbraw/zinc/73/31/48/795733148.db2.gz IEYJHAHBTVOECJ-YKZJWBAHSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N(Cc1cccc(C[NH3+])c1)C(C)=N ZINC001183092328 795797570 /nfs/dbraw/zinc/79/75/70/795797570.db2.gz XNUIOIGYYYTEFX-UHFFFAOYSA-N 2 0 314.433 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183510518 795883929 /nfs/dbraw/zinc/88/39/29/795883929.db2.gz ZDIHLXLWQFPGLY-CZUORRHYSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184575104 796086659 /nfs/dbraw/zinc/08/66/59/796086659.db2.gz BJSMCHMJPMJVEO-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3nccn32)C[C@H]1C ZINC001184799771 796127410 /nfs/dbraw/zinc/12/74/10/796127410.db2.gz QHLSDPCIIYGSHI-HUUCEWRRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185551325 796280994 /nfs/dbraw/zinc/28/09/94/796280994.db2.gz ZDBGCFFAHCQXLN-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP CSc1nc(CN2CC3(C2)CC[NH+](C)CC3)ccc1C#N ZINC001141944033 796700458 /nfs/dbraw/zinc/70/04/58/796700458.db2.gz UWEIDHRAXNRODM-UHFFFAOYSA-N 2 0 302.447 2.203 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001203283628 796806182 /nfs/dbraw/zinc/80/61/82/796806182.db2.gz ULVCTKGAFNVQRX-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189660811 796868073 /nfs/dbraw/zinc/86/80/73/796868073.db2.gz XZWQXSDIKIJWDI-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443958 796997688 /nfs/dbraw/zinc/99/76/88/796997688.db2.gz MBISYNSBSVSQDW-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443959 796998508 /nfs/dbraw/zinc/99/85/08/796998508.db2.gz MBISYNSBSVSQDW-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCC2CCCC2)CC1 ZINC001152334598 797172534 /nfs/dbraw/zinc/17/25/34/797172534.db2.gz JTNOTDBUIFSKCY-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393368 797182762 /nfs/dbraw/zinc/18/27/62/797182762.db2.gz KCLHDRPTAOEGBL-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819316 797403877 /nfs/dbraw/zinc/40/38/77/797403877.db2.gz WJRHMGBPTVODLH-SJORKVTESA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679894 797430004 /nfs/dbraw/zinc/43/00/04/797430004.db2.gz HSCRXVHDMBPJCD-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227974 797695973 /nfs/dbraw/zinc/69/59/73/797695973.db2.gz OURDTLIYAGPEDX-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227589 797696187 /nfs/dbraw/zinc/69/61/87/797696187.db2.gz LDIVHPIEVHKZJL-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299582 797970040 /nfs/dbraw/zinc/97/00/40/797970040.db2.gz VCOZVILKEJQCLO-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158467255 798411261 /nfs/dbraw/zinc/41/12/61/798411261.db2.gz FKLQQTSBYQFYPI-IAGOWNOFSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158474227 798412370 /nfs/dbraw/zinc/41/23/70/798412370.db2.gz TWKUJKLACSQEJX-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159155380 798530179 /nfs/dbraw/zinc/53/01/79/798530179.db2.gz NXVREXJTLFUTCI-GJZGRUSLSA-N 2 0 301.450 2.117 20 30 DEEDRP Cc1cc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc(C)[nH+]1 ZINC001159743058 798603291 /nfs/dbraw/zinc/60/32/91/798603291.db2.gz SIHXEYJRDPCMIO-UHFFFAOYSA-N 2 0 307.401 2.145 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400563 798683611 /nfs/dbraw/zinc/68/36/11/798683611.db2.gz UXPAUWGXXYNURM-GOSISDBHSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201043744 798710049 /nfs/dbraw/zinc/71/00/49/798710049.db2.gz IEGXTJAHVXYAFD-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201053748 798711075 /nfs/dbraw/zinc/71/10/75/798711075.db2.gz WGPWPIPUVQFYRN-YOEHRIQHSA-N 2 0 307.482 2.262 20 30 DEEDRP COc1ccc(C#N)cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001201585150 798774836 /nfs/dbraw/zinc/77/48/36/798774836.db2.gz CMCRFFGFORFGJY-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3c(O)cccc3C#N)cc[nH+]2)CC1 ZINC001201667226 798780586 /nfs/dbraw/zinc/78/05/86/798780586.db2.gz DEVREOGVKNINFU-UHFFFAOYSA-N 2 0 309.373 2.154 20 30 DEEDRP COc1cc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)ccc1C#N ZINC001201667556 798780913 /nfs/dbraw/zinc/78/09/13/798780913.db2.gz ULPMCXRNELNSEY-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161505023 798872794 /nfs/dbraw/zinc/87/27/94/798872794.db2.gz YSBVGDWGMMXYHI-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP C=CCCCCC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795383 798938091 /nfs/dbraw/zinc/93/80/91/798938091.db2.gz FMWDPAHZBIAPDE-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161869815 798953675 /nfs/dbraw/zinc/95/36/75/798953675.db2.gz LWVWIRKYLPLIMF-KRWDZBQOSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001114403634 799089700 /nfs/dbraw/zinc/08/97/00/799089700.db2.gz WEUIPPVYKYBZGZ-IMBTUZDBSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162934977 799203806 /nfs/dbraw/zinc/20/38/06/799203806.db2.gz NISUKZGXJCZSLE-SFHVURJKSA-N 2 0 317.477 2.174 20 30 DEEDRP C#CCCC1(CCNc2cccc(N3CCC([NH3+])CC3)[nH+]2)N=N1 ZINC001163381088 799328262 /nfs/dbraw/zinc/32/82/62/799328262.db2.gz PZKFIZAXXQZVPQ-UHFFFAOYSA-N 2 0 312.421 2.387 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165920073 799794625 /nfs/dbraw/zinc/79/46/25/799794625.db2.gz OOPITBYNYMJYAF-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959695 799798090 /nfs/dbraw/zinc/79/80/90/799798090.db2.gz XHTNTJJYQMAOQY-HZMVEIRTSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001166407669 799867636 /nfs/dbraw/zinc/86/76/36/799867636.db2.gz APRMKCKEEUKLHD-UONOGXRCSA-N 2 0 304.438 2.280 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687724 799922101 /nfs/dbraw/zinc/92/21/01/799922101.db2.gz XZCVMWZDIKXKRJ-OAHLLOKOSA-N 2 0 319.852 2.047 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166750964 799940557 /nfs/dbraw/zinc/94/05/57/799940557.db2.gz OBYLBLFHFIGYEY-UHFFFAOYSA-N 2 0 317.477 2.223 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206126194 800476968 /nfs/dbraw/zinc/47/69/68/800476968.db2.gz QDCOJNJOMUSSPH-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206620127 800566204 /nfs/dbraw/zinc/56/62/04/800566204.db2.gz LFIMKJRMCDGMHQ-BRWVUGGUSA-N 2 0 309.498 2.488 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001206951440 800639644 /nfs/dbraw/zinc/63/96/44/800639644.db2.gz QXKJLAHXPUALGA-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207262881 800718591 /nfs/dbraw/zinc/71/85/91/800718591.db2.gz KVFUVSXECOKGIE-BZUAXINKSA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616799 800789971 /nfs/dbraw/zinc/78/99/71/800789971.db2.gz FKSDRPQVKBLSIO-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208115709 800914695 /nfs/dbraw/zinc/91/46/95/800914695.db2.gz KMZVSSPQHHKUER-OAHLLOKOSA-N 2 0 309.454 2.095 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208259150 800942583 /nfs/dbraw/zinc/94/25/83/800942583.db2.gz ZPVKLFOKODVXQR-OAHLLOKOSA-N 2 0 319.474 2.027 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463860 800988626 /nfs/dbraw/zinc/98/86/26/800988626.db2.gz UVIAIGMIJIFTKF-MRXNPFEDSA-N 2 0 316.449 2.065 20 30 DEEDRP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208606173 801028733 /nfs/dbraw/zinc/02/87/33/801028733.db2.gz DKHBCIGCTOCDBM-CEXWTWQISA-N 2 0 322.493 2.402 20 30 DEEDRP N#Cc1c(F)cc(F)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210270782 801366951 /nfs/dbraw/zinc/36/69/51/801366951.db2.gz HODKKYFCRGQMNS-UHFFFAOYSA-N 2 0 315.327 2.385 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230341585 801390756 /nfs/dbraw/zinc/39/07/56/801390756.db2.gz OZJWOBDJZSDGMA-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210633488 801435971 /nfs/dbraw/zinc/43/59/71/801435971.db2.gz DPPISYLKLAPEOG-ROUUACIJSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210633486 801436018 /nfs/dbraw/zinc/43/60/18/801436018.db2.gz DPPISYLKLAPEOG-MSOLQXFVSA-N 2 0 315.461 2.446 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444374 801566915 /nfs/dbraw/zinc/56/69/15/801566915.db2.gz XQEFOTAAFMDFIM-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215569327 801877364 /nfs/dbraw/zinc/87/73/64/801877364.db2.gz ZXHCTQUAIWYACL-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216348813 801967009 /nfs/dbraw/zinc/96/70/09/801967009.db2.gz OOPDCHRZTUAFNI-NXHRZFHOSA-N 2 0 315.461 2.302 20 30 DEEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001218211155 802153754 /nfs/dbraw/zinc/15/37/54/802153754.db2.gz RNKQFLCQOVHMHS-SFHVURJKSA-N 2 0 301.434 2.125 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001222891253 802747885 /nfs/dbraw/zinc/74/78/85/802747885.db2.gz CPOBYHJFDHZOMD-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223472948 802792740 /nfs/dbraw/zinc/79/27/40/802792740.db2.gz YLSDRBOFHVOHPD-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001227704460 803268587 /nfs/dbraw/zinc/26/85/87/803268587.db2.gz ZRYDBEFOGHPSPH-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001227986646 803302581 /nfs/dbraw/zinc/30/25/81/803302581.db2.gz IIKQIGZYSPIJDG-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228225266 803332816 /nfs/dbraw/zinc/33/28/16/803332816.db2.gz VNRXXCKHJPTXQF-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559802 803374568 /nfs/dbraw/zinc/37/45/68/803374568.db2.gz YMALGSUVPSCYQL-BRWVUGGUSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001328039302 1148705179 /nfs/dbraw/zinc/70/51/79/1148705179.db2.gz QKIQKSFIXFSVTN-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001418166183 1167454767 /nfs/dbraw/zinc/45/47/67/1167454767.db2.gz WWTIHFOQBPXVIF-HNNXBMFYSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001330877489 1149322296 /nfs/dbraw/zinc/32/22/96/1149322296.db2.gz ZLZVWKJPINUCIG-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP CC(C)(C)N1CC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001328478285 1148801044 /nfs/dbraw/zinc/80/10/44/1148801044.db2.gz PABBVAPGAYTSKA-MRXNPFEDSA-N 2 0 314.433 2.349 20 30 DEEDRP C=CCCC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001328896961 1148846150 /nfs/dbraw/zinc/84/61/50/1148846150.db2.gz LBWAFFXPEPSONR-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001501404621 1059492795 /nfs/dbraw/zinc/49/27/95/1059492795.db2.gz SKTQUBSHYSYOLG-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569391 1059551241 /nfs/dbraw/zinc/55/12/41/1059551241.db2.gz XPYGTPZLDLYWHH-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001501681166 1059632586 /nfs/dbraw/zinc/63/25/86/1059632586.db2.gz DBVUETYWZIJQEA-HNNXBMFYSA-N 2 0 303.450 2.480 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001501712362 1059658410 /nfs/dbraw/zinc/65/84/10/1059658410.db2.gz NWCYXEFPCNHRGU-BZUAXINKSA-N 2 0 318.465 2.429 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001502496082 1060153511 /nfs/dbraw/zinc/15/35/11/1060153511.db2.gz FYKJHBRMXIKWNU-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505430899 1060582895 /nfs/dbraw/zinc/58/28/95/1060582895.db2.gz LVTJAILCPUNYMH-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479965185 1062121623 /nfs/dbraw/zinc/12/16/23/1062121623.db2.gz NUFBJTGQAYVDOF-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479965184 1062122050 /nfs/dbraw/zinc/12/20/50/1062122050.db2.gz NUFBJTGQAYVDOF-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001506663726 1062255271 /nfs/dbraw/zinc/25/52/71/1062255271.db2.gz VWCOGGHMKIAWBB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480085163 1062301346 /nfs/dbraw/zinc/30/13/46/1062301346.db2.gz QCQNAKBBPGQXHZ-MRXNPFEDSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001506893078 1062482554 /nfs/dbraw/zinc/48/25/54/1062482554.db2.gz YLPPOTHWCLAMRJ-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001480255165 1062536155 /nfs/dbraw/zinc/53/61/55/1062536155.db2.gz QRIMJTHTSTZOQY-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480255377 1062536736 /nfs/dbraw/zinc/53/67/36/1062536736.db2.gz VJXOTFHPKWUCLY-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480257850 1062544875 /nfs/dbraw/zinc/54/48/75/1062544875.db2.gz OCAAQKOLYPHYEX-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480300485 1062606459 /nfs/dbraw/zinc/60/64/59/1062606459.db2.gz NTNNXUVOCTXDSY-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001480334630 1062673856 /nfs/dbraw/zinc/67/38/56/1062673856.db2.gz GDVYKGGQBXSMLA-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001480372464 1062731102 /nfs/dbraw/zinc/73/11/02/1062731102.db2.gz KWWUTZWZIXLRHV-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507298846 1063054054 /nfs/dbraw/zinc/05/40/54/1063054054.db2.gz RJRTXJVCBZUCLI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001507399601 1063229277 /nfs/dbraw/zinc/22/92/77/1063229277.db2.gz AYYKIQKRSOVGDT-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480742721 1063283792 /nfs/dbraw/zinc/28/37/92/1063283792.db2.gz QYLDHIJDBMIHJV-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001508154202 1063584981 /nfs/dbraw/zinc/58/49/81/1063584981.db2.gz FKKXFZVQWPMSHH-OFLPRAFFSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493157697 1063608556 /nfs/dbraw/zinc/60/85/56/1063608556.db2.gz AECBPWJVDOKJIB-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001494171124 1064154524 /nfs/dbraw/zinc/15/45/24/1064154524.db2.gz GTJMTTLTWMYTGY-QGZVFWFLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001567419949 1064191628 /nfs/dbraw/zinc/19/16/28/1064191628.db2.gz YKLJBYMHKVRMOP-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001494290732 1064201861 /nfs/dbraw/zinc/20/18/61/1064201861.db2.gz WABFHXKUWZYDEP-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP CC#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@@H]1C ZINC001568043480 1064614928 /nfs/dbraw/zinc/61/49/28/1064614928.db2.gz KWMVYZLQVUPTAH-FUHWJXTLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001568345132 1064792106 /nfs/dbraw/zinc/79/21/06/1064792106.db2.gz CXYVPINRYHLEDY-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568385437 1064827634 /nfs/dbraw/zinc/82/76/34/1064827634.db2.gz FRMIZNPLNHPEOE-FGTMMUONSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001568438781 1064873391 /nfs/dbraw/zinc/87/33/91/1064873391.db2.gz UZSDQFVBCQXRNZ-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568500664 1064914731 /nfs/dbraw/zinc/91/47/31/1064914731.db2.gz UHEVKBVRLKFXMI-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569376287 1065472769 /nfs/dbraw/zinc/47/27/69/1065472769.db2.gz IJXVDFXEVKDKBY-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001569436387 1065507326 /nfs/dbraw/zinc/50/73/26/1065507326.db2.gz HPXHBNAZPWQMGU-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001569450868 1065515670 /nfs/dbraw/zinc/51/56/70/1065515670.db2.gz NFODVQMAVVSNHX-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569716418 1065687417 /nfs/dbraw/zinc/68/74/17/1065687417.db2.gz XGLOFJLZUXEQBC-IEBWSBKVSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496914118 1065800557 /nfs/dbraw/zinc/80/05/57/1065800557.db2.gz SXXIWYJKVAKDDJ-ROUUACIJSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569909897 1065812658 /nfs/dbraw/zinc/81/26/58/1065812658.db2.gz KATRUALQNYKFKA-BDXSIMOUSA-N 2 0 319.493 2.358 20 30 DEEDRP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570028157 1065893156 /nfs/dbraw/zinc/89/31/56/1065893156.db2.gz LHBKCOIMPFVENP-SFHVURJKSA-N 2 0 315.461 2.098 20 30 DEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001570486870 1066092548 /nfs/dbraw/zinc/09/25/48/1066092548.db2.gz IFFCEUCEIPHRTN-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC001576253749 1066536207 /nfs/dbraw/zinc/53/62/07/1066536207.db2.gz ZBTLYOYNBPOKFZ-PBHICJAKSA-N 2 0 323.444 2.436 20 30 DEEDRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001576599997 1066643856 /nfs/dbraw/zinc/64/38/56/1066643856.db2.gz WZOBMGAUPLKIJK-IAGOWNOFSA-N 2 0 312.461 2.458 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001499515314 1067241683 /nfs/dbraw/zinc/24/16/83/1067241683.db2.gz VNMQNWNOEYBVGB-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC001580035808 1067477638 /nfs/dbraw/zinc/47/76/38/1067477638.db2.gz HCRXPRDBIMBDEX-MAUKXSAKSA-N 2 0 316.424 2.008 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001267094887 1078568758 /nfs/dbraw/zinc/56/87/58/1078568758.db2.gz WAHDEGSLQDRAMQ-SJORKVTESA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267181787 1078646372 /nfs/dbraw/zinc/64/63/72/1078646372.db2.gz NNMOHPZXNCBGQK-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001570799836 1068120458 /nfs/dbraw/zinc/12/04/58/1068120458.db2.gz KKPWBYPIJNXQJQ-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001571326487 1068222489 /nfs/dbraw/zinc/22/24/89/1068222489.db2.gz VRLYNGKUHIDHDM-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001571326724 1068223222 /nfs/dbraw/zinc/22/32/22/1068223222.db2.gz ZXVCXMIRTRCSPJ-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001571492764 1068349250 /nfs/dbraw/zinc/34/92/50/1068349250.db2.gz IMYDYVMJHCJYQE-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001571549627 1068414384 /nfs/dbraw/zinc/41/43/84/1068414384.db2.gz FBXBEWJUYIKAHA-SJORKVTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(CC(C)C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001545058175 1072558996 /nfs/dbraw/zinc/55/89/96/1072558996.db2.gz HIAVGCSNFCAEGR-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267560196 1078992647 /nfs/dbraw/zinc/99/26/47/1078992647.db2.gz HUQNKXSHMGRYBO-INIZCTEOSA-N 2 0 324.428 2.108 20 30 DEEDRP CC#CC[NH+](C)Cc1ccccc1CNC(=O)CC[N@@H+](C)CC ZINC001272675440 1079112743 /nfs/dbraw/zinc/11/27/43/1079112743.db2.gz LPMUPARBYUJARF-UHFFFAOYSA-N 2 0 315.461 2.100 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001483935141 1079195918 /nfs/dbraw/zinc/19/59/18/1079195918.db2.gz SSVNDOJNBRGVAR-IRXDYDNUSA-N 2 0 316.449 2.074 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001565771229 1075186773 /nfs/dbraw/zinc/18/67/73/1075186773.db2.gz HYAQOLHCUZLRKA-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267690169 1079376405 /nfs/dbraw/zinc/37/64/05/1079376405.db2.gz XXTAUBBSAQCLPW-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001566739834 1075330565 /nfs/dbraw/zinc/33/05/65/1075330565.db2.gz KZMFTDLURQJIEL-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001566790785 1075345364 /nfs/dbraw/zinc/34/53/64/1075345364.db2.gz YCHCOJBQUREPRH-LUKYLMHMSA-N 2 0 307.482 2.451 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267703650 1079392301 /nfs/dbraw/zinc/39/23/01/1079392301.db2.gz SOGNSBDRJHNOBP-SJORKVTESA-N 2 0 309.498 2.319 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001566878168 1075371313 /nfs/dbraw/zinc/37/13/13/1075371313.db2.gz NBSVGMBQECXAMI-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267764807 1079469059 /nfs/dbraw/zinc/46/90/59/1079469059.db2.gz ZSZLFOPBMOGTRB-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481270682 1079509246 /nfs/dbraw/zinc/50/92/46/1079509246.db2.gz BIGXCNMFALCEFG-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484395289 1079584134 /nfs/dbraw/zinc/58/41/34/1079584134.db2.gz VNAAEKPCLUEKJM-KZNAEPCWSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001267915293 1079597483 /nfs/dbraw/zinc/59/74/83/1079597483.db2.gz BNOIKBIIHXPCTF-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H](C)C1 ZINC001671250910 1079639664 /nfs/dbraw/zinc/63/96/64/1079639664.db2.gz GBLHJKAUGKTUPQ-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001484526507 1079640469 /nfs/dbraw/zinc/64/04/69/1079640469.db2.gz FWKIWIMEGDDABT-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H](C)C1 ZINC001671250912 1079640664 /nfs/dbraw/zinc/64/06/64/1079640664.db2.gz GBLHJKAUGKTUPQ-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)[NH+](C)C ZINC001484557134 1079658249 /nfs/dbraw/zinc/65/82/49/1079658249.db2.gz FITAMXLZKUSNMM-KRWDZBQOSA-N 2 0 303.450 2.261 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001481335264 1079730477 /nfs/dbraw/zinc/73/04/77/1079730477.db2.gz SZDGSGXYNMLGIK-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481409832 1079798673 /nfs/dbraw/zinc/79/86/73/1079798673.db2.gz ULFDLQHBIHWGEM-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481443176 1079856933 /nfs/dbraw/zinc/85/69/33/1079856933.db2.gz RKINAFZGVWIEHM-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+](C)C ZINC001485043965 1079927499 /nfs/dbraw/zinc/92/74/99/1079927499.db2.gz JEBQNGWDXITXMJ-IEBWSBKVSA-N 2 0 315.461 2.276 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001485039601 1079933458 /nfs/dbraw/zinc/93/34/58/1079933458.db2.gz OKFZIZWWXWWNRL-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500151 1079959330 /nfs/dbraw/zinc/95/93/30/1079959330.db2.gz CXBGYJVDCFWHAX-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH+](C)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001481521917 1079992513 /nfs/dbraw/zinc/99/25/13/1079992513.db2.gz XECYWINFAIRZHS-CALCHBBNSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001268124866 1080091988 /nfs/dbraw/zinc/09/19/88/1080091988.db2.gz ZCAMTWXKFVRKCU-AEFFLSMTSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC001485311820 1080131527 /nfs/dbraw/zinc/13/15/27/1080131527.db2.gz BUQKQEAESPHIRC-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001268174488 1080164670 /nfs/dbraw/zinc/16/46/70/1080164670.db2.gz RDMWEIASJPUZBQ-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001485449045 1080212892 /nfs/dbraw/zinc/21/28/92/1080212892.db2.gz DUKGNUJEVNLDGY-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001485481544 1080246920 /nfs/dbraw/zinc/24/69/20/1080246920.db2.gz CVNPMRXSQORADV-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001485592892 1080320770 /nfs/dbraw/zinc/32/07/70/1080320770.db2.gz CSYRHSUEPCSJRI-FJIDUMEYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001661496327 1080486664 /nfs/dbraw/zinc/48/66/64/1080486664.db2.gz UCQIDABFZFRNTQ-IYARVYRRSA-N 2 0 319.493 2.311 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661556191 1080493940 /nfs/dbraw/zinc/49/39/40/1080493940.db2.gz QUEQCOFZAHTFFB-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107071770 1080577686 /nfs/dbraw/zinc/57/76/86/1080577686.db2.gz RJVXHLFFVZZGAO-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001481900298 1080590858 /nfs/dbraw/zinc/59/08/58/1080590858.db2.gz SYUNKLWEFJWQEB-IAGOWNOFSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001663124209 1080706676 /nfs/dbraw/zinc/70/66/76/1080706676.db2.gz UDVUMZBRVZDSGZ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001664685513 1080942839 /nfs/dbraw/zinc/94/28/39/1080942839.db2.gz CFXHMEBZSIODMN-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001666577465 1081163979 /nfs/dbraw/zinc/16/39/79/1081163979.db2.gz FCTFKSHXPVJMRY-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001667627372 1081267907 /nfs/dbraw/zinc/26/79/07/1081267907.db2.gz REIBGETXFQGBRZ-UHFFFAOYSA-N 2 0 317.477 2.371 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001482235674 1081321134 /nfs/dbraw/zinc/32/11/34/1081321134.db2.gz ONHNPQDPLDMTCI-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001270087669 1081447126 /nfs/dbraw/zinc/44/71/26/1081447126.db2.gz CZDPKCXQRNKMEN-IYBDPMFKSA-N 2 0 315.461 2.451 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001672280458 1081577168 /nfs/dbraw/zinc/57/71/68/1081577168.db2.gz UVXZEZHNFHWBEL-DZGCQCFKSA-N 2 0 321.490 2.293 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001672424356 1081596758 /nfs/dbraw/zinc/59/67/58/1081596758.db2.gz FBVNQPKRDRDYSG-WNRNVDISSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001672944059 1081725782 /nfs/dbraw/zinc/72/57/82/1081725782.db2.gz VZMZOJSSZZGDHN-QAPCUYQASA-N 2 0 315.461 2.317 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001270863865 1081766517 /nfs/dbraw/zinc/76/65/17/1081766517.db2.gz LKTMHATZIXHRIQ-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001673988883 1081821837 /nfs/dbraw/zinc/82/18/37/1081821837.db2.gz JOEUYWBQSWPAPQ-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001270987005 1081867162 /nfs/dbraw/zinc/86/71/62/1081867162.db2.gz NMQINGLAGWZMFT-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001674687989 1081906018 /nfs/dbraw/zinc/90/60/18/1081906018.db2.gz XYCIXMVCTZPSBF-STQMWFEESA-N 2 0 300.406 2.315 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251635 1081917426 /nfs/dbraw/zinc/91/74/26/1081917426.db2.gz DTNNUOAYKIEJPF-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC[C@@H](CC#N)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397489909 1082076301 /nfs/dbraw/zinc/07/63/01/1082076301.db2.gz HKWXSUYNDRKGGG-KRWDZBQOSA-N 2 0 301.434 2.295 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266545376 1082140545 /nfs/dbraw/zinc/14/05/45/1082140545.db2.gz NSWAFOWLHMCEKN-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001671569754 1082208237 /nfs/dbraw/zinc/20/82/37/1082208237.db2.gz MZJRCGMSZPGFGN-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266860109 1082404341 /nfs/dbraw/zinc/40/43/41/1082404341.db2.gz XLCFZNZMRXNQLG-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001272179172 1082621216 /nfs/dbraw/zinc/62/12/16/1082621216.db2.gz ZFGBRYCZBWZGLK-UHFFFAOYSA-N 2 0 303.450 2.328 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107596567 1083503327 /nfs/dbraw/zinc/50/33/27/1083503327.db2.gz IJWJNZFIFPDEIT-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001276741236 1083582199 /nfs/dbraw/zinc/58/21/99/1083582199.db2.gz RUROXKFZKJRTRV-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001276839604 1083640403 /nfs/dbraw/zinc/64/04/03/1083640403.db2.gz KTMQMLBGWCWDIZ-OKZBNKHCSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001276983470 1083719362 /nfs/dbraw/zinc/71/93/62/1083719362.db2.gz LAOHALATKGQAJJ-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001277375477 1083934196 /nfs/dbraw/zinc/93/41/96/1083934196.db2.gz CWEXAGCHYXMKOJ-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491298169 1084222436 /nfs/dbraw/zinc/22/24/36/1084222436.db2.gz UTXFLZFDEAVJQO-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485833431 1084283884 /nfs/dbraw/zinc/28/38/84/1084283884.db2.gz UIWMAZXVVYBEIN-RDJZCZTQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235340327 1084398393 /nfs/dbraw/zinc/39/83/93/1084398393.db2.gz ZKMVBFSBRXERRW-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512788 1084451517 /nfs/dbraw/zinc/45/15/17/1084451517.db2.gz KMJKZZPCDQZXKO-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC[NH+](CC)CCN1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235511464 1084451812 /nfs/dbraw/zinc/45/18/12/1084451812.db2.gz HNHHZLKYFHSUHK-UHFFFAOYSA-N 2 0 314.477 2.212 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485930185 1085002269 /nfs/dbraw/zinc/00/22/69/1085002269.db2.gz NLLUYOJTGSQLEN-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494135444 1085135322 /nfs/dbraw/zinc/13/53/22/1085135322.db2.gz PZNNTMSGQKPIQE-BRWVUGGUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000964377263 1085195094 /nfs/dbraw/zinc/19/50/94/1085195094.db2.gz FCWNWWPSSYYJKL-NFOMZHRRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001486400326 1085286242 /nfs/dbraw/zinc/28/62/42/1085286242.db2.gz VJBDQQPZXQKSIA-OAGGEKHMSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000964605913 1085293283 /nfs/dbraw/zinc/29/32/83/1085293283.db2.gz VZRKKAVWVZLWJN-UHFFFAOYSA-N 2 0 319.493 2.454 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001486415983 1085302193 /nfs/dbraw/zinc/30/21/93/1085302193.db2.gz HMOKMYVXRXOIKY-IRXDYDNUSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001486449593 1085321185 /nfs/dbraw/zinc/32/11/85/1085321185.db2.gz ZKLRHPKQSLENLP-INIZCTEOSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000965933111 1085700296 /nfs/dbraw/zinc/70/02/96/1085700296.db2.gz NSXZLMVNOKZMQG-RFSHTEQGSA-N 2 0 319.493 2.454 20 30 DEEDRP CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966075280 1085780159 /nfs/dbraw/zinc/78/01/59/1085780159.db2.gz KEUIACUVOFUYQP-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001273114070 1086240975 /nfs/dbraw/zinc/24/09/75/1086240975.db2.gz PGAURXDEYQDXBO-UHFFFAOYSA-N 2 0 312.417 2.461 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000963366758 1086427641 /nfs/dbraw/zinc/42/76/41/1086427641.db2.gz MTQFITHVFHJYGT-NVXWUHKLSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416434 1086448238 /nfs/dbraw/zinc/44/82/38/1086448238.db2.gz LHQQKCRSYZSGBH-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273145119 1086867445 /nfs/dbraw/zinc/86/74/45/1086867445.db2.gz UUPOKHNUBQCFIR-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000957644981 1088492205 /nfs/dbraw/zinc/49/22/05/1088492205.db2.gz QQZJMFWHFDJAAP-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723402 1090410777 /nfs/dbraw/zinc/41/07/77/1090410777.db2.gz GEHNBDVKZUMVRN-QZTJIDSGSA-N 2 0 313.445 2.081 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001084852933 1090476979 /nfs/dbraw/zinc/47/69/79/1090476979.db2.gz UFSSWOHSRZZOMH-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049130 1090615070 /nfs/dbraw/zinc/61/50/70/1090615070.db2.gz CXQHOQGVVRKNNQ-SQNIBIBYSA-N 2 0 319.493 2.358 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001274368692 1091210171 /nfs/dbraw/zinc/21/01/71/1091210171.db2.gz UAALJGJCOYMUSZ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001273426636 1091349275 /nfs/dbraw/zinc/34/92/75/1091349275.db2.gz CKDAAJSPQLYKOA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001411223597 1091438877 /nfs/dbraw/zinc/43/88/77/1091438877.db2.gz MHHQLWYFMAPGQF-AWEZNQCLSA-N 2 0 315.889 2.201 20 30 DEEDRP C=CCCCCC[N@H+]1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001276040993 1091466339 /nfs/dbraw/zinc/46/63/39/1091466339.db2.gz URDNHIBHRWVSSJ-IBGZPJMESA-N 2 0 323.525 2.461 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001276070855 1091508045 /nfs/dbraw/zinc/50/80/45/1091508045.db2.gz OJNZTSBYRLMBJX-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001273445292 1091768897 /nfs/dbraw/zinc/76/88/97/1091768897.db2.gz LJOAXWURTIISFX-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674450 1091877668 /nfs/dbraw/zinc/87/76/68/1091877668.db2.gz XXIVAEORTRURDX-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001273802350 1092061945 /nfs/dbraw/zinc/06/19/45/1092061945.db2.gz VGNIEDLLINLLRC-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493163229 1093279116 /nfs/dbraw/zinc/27/91/16/1093279116.db2.gz UDRXZVDKGINXNZ-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001490347601 1093296215 /nfs/dbraw/zinc/29/62/15/1093296215.db2.gz NKMZDIQIBPFGEP-MRXNPFEDSA-N 2 0 318.465 2.158 20 30 DEEDRP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001490618194 1093448139 /nfs/dbraw/zinc/44/81/39/1093448139.db2.gz FLQDNDYFOYETID-GOSISDBHSA-N 2 0 321.509 2.443 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001274124936 1093808936 /nfs/dbraw/zinc/80/89/36/1093808936.db2.gz LIZRWVXJCRUKOM-FDRQBBGKSA-N 2 0 305.466 2.232 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001278273830 1138870983 /nfs/dbraw/zinc/87/09/83/1138870983.db2.gz APNVMUPWQGLGDD-GOSISDBHSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001491741220 1140293708 /nfs/dbraw/zinc/29/37/08/1140293708.db2.gz XZKWBJQZKVBBCP-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318852598 1140437736 /nfs/dbraw/zinc/43/77/36/1140437736.db2.gz XHELIJBOLBEJCO-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319631333 1140629244 /nfs/dbraw/zinc/62/92/44/1140629244.db2.gz NWKQXNUDPDBWLJ-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001319649032 1140640059 /nfs/dbraw/zinc/64/00/59/1140640059.db2.gz UPDOPMGUSWWPSQ-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]CCCN(C)CCC[NH3+] ZINC001245994258 1140843537 /nfs/dbraw/zinc/84/35/37/1140843537.db2.gz PKYQZTPAPWIVBP-KRWDZBQOSA-N 2 0 301.519 2.358 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CCN1 ZINC001246597012 1140996666 /nfs/dbraw/zinc/99/66/66/1140996666.db2.gz SEFLASARDBOCJC-DLBZAZTESA-N 2 0 304.482 2.266 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH2+]CC1)[C@H]2CC ZINC001246702395 1141039910 /nfs/dbraw/zinc/03/99/10/1141039910.db2.gz GELBJEZUCDZMRK-WMZOPIPTSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001322368357 1141544123 /nfs/dbraw/zinc/54/41/23/1141544123.db2.gz BCQRYBVDHDIVCR-SJORKVTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC ZINC001323170606 1141821167 /nfs/dbraw/zinc/82/11/67/1141821167.db2.gz ROLTVWMZOYZJKR-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001323980892 1141941065 /nfs/dbraw/zinc/94/10/65/1141941065.db2.gz HTPMVIROHJFZHK-HNNXBMFYSA-N 2 0 309.498 2.462 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001324284989 1142047727 /nfs/dbraw/zinc/04/77/27/1142047727.db2.gz CMHODYNUQWLZBP-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1)C(C)C ZINC001336755955 1142561421 /nfs/dbraw/zinc/56/14/21/1142561421.db2.gz KSYDAVHBBDMPDO-JKSUJKDBSA-N 2 0 322.497 2.064 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC001341664714 1143654401 /nfs/dbraw/zinc/65/44/01/1143654401.db2.gz DMCPEWOWMCFTSR-HOTGVXAUSA-N 2 0 321.852 2.497 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001341731497 1143685038 /nfs/dbraw/zinc/68/50/38/1143685038.db2.gz BVSVBUHUBWNTQR-NJAFHUGGSA-N 2 0 315.461 2.307 20 30 DEEDRP C=CCOCc1nn([C@H](C)CC[NH+](CC)CC)c2c1C[NH2+]C2 ZINC001255959702 1143817033 /nfs/dbraw/zinc/81/70/33/1143817033.db2.gz OGJNOSIEODVIOF-CQSZACIVSA-N 2 0 306.454 2.482 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001263873655 1144418125 /nfs/dbraw/zinc/41/81/25/1144418125.db2.gz BDRMBXYOVLJPBN-QAQDUYKDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001263909306 1144422919 /nfs/dbraw/zinc/42/29/19/1144422919.db2.gz PENKUTBNDSOKHO-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001264380955 1144521445 /nfs/dbraw/zinc/52/14/45/1144521445.db2.gz UITPFWMMZZPLMH-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001264480637 1144545605 /nfs/dbraw/zinc/54/56/05/1144545605.db2.gz DWEIZSKSZVDRCE-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)CCCn2ccnc2)CC1 ZINC001265201115 1144665170 /nfs/dbraw/zinc/66/51/70/1144665170.db2.gz ILLDDRJTUQGTJO-UHFFFAOYSA-N 2 0 304.438 2.162 20 30 DEEDRP C=CCCC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001265360385 1144698341 /nfs/dbraw/zinc/69/83/41/1144698341.db2.gz KVUNGSZQJDFMSB-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001266005759 1144783038 /nfs/dbraw/zinc/78/30/38/1144783038.db2.gz DDZDOVKXUBLKFG-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266219736 1144815479 /nfs/dbraw/zinc/81/54/79/1144815479.db2.gz IYDFDWIPMLGKKM-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576226 1144824902 /nfs/dbraw/zinc/82/49/02/1144824902.db2.gz LTPJQLHKZPHMDL-DLBZAZTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001281035504 1144869508 /nfs/dbraw/zinc/86/95/08/1144869508.db2.gz CULXTLAYONUULQ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281559638 1144897295 /nfs/dbraw/zinc/89/72/95/1144897295.db2.gz XYXCFRFOZFXZCS-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001282215047 1145014748 /nfs/dbraw/zinc/01/47/48/1145014748.db2.gz PHHKSTDXMVTJPX-CABCVRRESA-N 2 0 307.482 2.167 20 30 DEEDRP CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001282844625 1145175505 /nfs/dbraw/zinc/17/55/05/1145175505.db2.gz KDWDDQNPCISNEF-ZJPYXAASSA-N 2 0 321.509 2.345 20 30 DEEDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001364384012 1145211356 /nfs/dbraw/zinc/21/13/56/1145211356.db2.gz LSPYQWLHGNYOSU-SFHVURJKSA-N 2 0 301.434 2.255 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001284057610 1145778883 /nfs/dbraw/zinc/77/88/83/1145778883.db2.gz NHBZKSZNLOTZIQ-FUHWJXTLSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1(C)C ZINC001284346882 1145840231 /nfs/dbraw/zinc/84/02/31/1145840231.db2.gz KBZFHNLMAXPIFO-APWZRJJASA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)CC[NH+]1CCCCC1)C(C)C ZINC001284558924 1145870831 /nfs/dbraw/zinc/87/08/31/1145870831.db2.gz PEOJYBHRIGPZJS-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001316641026 1146314714 /nfs/dbraw/zinc/31/47/14/1146314714.db2.gz GUIMMRFSJGXEKY-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001491950471 1147015636 /nfs/dbraw/zinc/01/56/36/1147015636.db2.gz AOHLYSYOOPMDRZ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491964812 1147023857 /nfs/dbraw/zinc/02/38/57/1147023857.db2.gz BRTGQEIVLBCBRX-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492154290 1147102324 /nfs/dbraw/zinc/10/23/24/1147102324.db2.gz KJEMGOMTEBANJV-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001316925795 1147632944 /nfs/dbraw/zinc/63/29/44/1147632944.db2.gz XXCJVWJCMZNMOJ-GOSISDBHSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947328 1147637245 /nfs/dbraw/zinc/63/72/45/1147637245.db2.gz KEZIBXPYQQKHFQ-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994394 1147645754 /nfs/dbraw/zinc/64/57/54/1147645754.db2.gz HXZBBHKOQPIFEO-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001317018037 1147648539 /nfs/dbraw/zinc/64/85/39/1147648539.db2.gz XTGODFKSGGIPQO-IAGOWNOFSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001317024055 1147649513 /nfs/dbraw/zinc/64/95/13/1147649513.db2.gz CYGNSUGGWCGNTK-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367099351 1147649666 /nfs/dbraw/zinc/64/96/66/1147649666.db2.gz WZUWRISRZGPXSR-CQSZACIVSA-N 2 0 315.889 2.488 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317186994 1147673154 /nfs/dbraw/zinc/67/31/54/1147673154.db2.gz CHWMFAYSCVWPFT-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317359754 1147695889 /nfs/dbraw/zinc/69/58/89/1147695889.db2.gz OVVWWUFUSHHFER-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317382532 1147699866 /nfs/dbraw/zinc/69/98/66/1147699866.db2.gz YOCGYGXBQQHPCF-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317422629 1147704938 /nfs/dbraw/zinc/70/49/38/1147704938.db2.gz HTQISNKBYIOQIM-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001317704552 1147745805 /nfs/dbraw/zinc/74/58/05/1147745805.db2.gz FBWGLUJDDOIWCO-SFHVURJKSA-N 2 0 321.509 2.489 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001318216325 1147799454 /nfs/dbraw/zinc/79/94/54/1147799454.db2.gz MJTRWQPTVKXUJS-ULQDDVLXSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318362522 1147815917 /nfs/dbraw/zinc/81/59/17/1147815917.db2.gz BIGRSTJETUJVDQ-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001324739891 1147839093 /nfs/dbraw/zinc/83/90/93/1147839093.db2.gz DMDBZHISSSAZNX-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001324904904 1147856829 /nfs/dbraw/zinc/85/68/29/1147856829.db2.gz NXADYOMOHXSODO-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001324943143 1147860570 /nfs/dbraw/zinc/86/05/70/1147860570.db2.gz DPTHFBPGAARGAH-HKUYNNGSSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001326349761 1148082207 /nfs/dbraw/zinc/08/22/07/1148082207.db2.gz NWMPUYOHEDLJSG-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001326603290 1148159637 /nfs/dbraw/zinc/15/96/37/1148159637.db2.gz KEHFCAGTSZTIPL-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001326899380 1148284909 /nfs/dbraw/zinc/28/49/09/1148284909.db2.gz OASHIFZTLVLXRZ-HOTGVXAUSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000237930748 539751093 /nfs/dbraw/zinc/75/10/93/539751093.db2.gz OZWSIYDYUGOLRV-KRWDZBQOSA-N 2 0 301.434 2.233 20 30 DEEDRP C=CCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061971 366031772 /nfs/dbraw/zinc/03/17/72/366031772.db2.gz BENJLJSOIRUVJZ-OAHLLOKOSA-N 2 0 303.450 2.261 20 30 DEEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858153 191240443 /nfs/dbraw/zinc/24/04/43/191240443.db2.gz GWKSDNANYYBWPN-HNNXBMFYSA-N 2 0 314.433 2.160 20 30 DEEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523477 354536104 /nfs/dbraw/zinc/53/61/04/354536104.db2.gz JHECQCHHSRWXIZ-CRAIPNDOSA-N 2 0 322.497 2.093 20 30 DEEDRP C=CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1Cl ZINC000077450490 355205480 /nfs/dbraw/zinc/20/54/80/355205480.db2.gz JAUAPHFTKHYIMO-UHFFFAOYSA-N 2 0 324.852 2.451 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000581720263 357237027 /nfs/dbraw/zinc/23/70/27/357237027.db2.gz BXYPZRAFULQTJB-HLLBOEOZSA-N 2 0 316.424 2.383 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc(C#N)cc1 ZINC000595388248 358437236 /nfs/dbraw/zinc/43/72/36/358437236.db2.gz DLDIUDQMTCHEKL-QRVBRYPASA-N 2 0 313.445 2.284 20 30 DEEDRP N#Cc1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000595896437 358574919 /nfs/dbraw/zinc/57/49/19/358574919.db2.gz OOGGOAAWJVAZBB-GBESFXJTSA-N 2 0 313.445 2.319 20 30 DEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598724297 359306432 /nfs/dbraw/zinc/30/64/32/359306432.db2.gz NTXDSYJMGBDXAA-ZWKOTPCHSA-N 2 0 315.461 2.399 20 30 DEEDRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1C#N ZINC000443986466 238132957 /nfs/dbraw/zinc/13/29/57/238132957.db2.gz IZERWLNFOAMQSS-MRXNPFEDSA-N 2 0 301.434 2.457 20 30 DEEDRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390494 361589287 /nfs/dbraw/zinc/58/92/87/361589287.db2.gz DYOVVLFHEIHIFO-SFHVURJKSA-N 2 0 301.434 2.494 20 30 DEEDRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390493 361589314 /nfs/dbraw/zinc/58/93/14/361589314.db2.gz DYOVVLFHEIHIFO-GOSISDBHSA-N 2 0 301.434 2.494 20 30 DEEDRP CC#CCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000274080799 211335510 /nfs/dbraw/zinc/33/55/10/211335510.db2.gz NBOSPPGOCPBUCS-UHFFFAOYSA-N 2 0 315.461 2.162 20 30 DEEDRP C=CCOc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000105477024 194106613 /nfs/dbraw/zinc/10/66/13/194106613.db2.gz KZEHGSKUZCOQGS-UHFFFAOYSA-N 2 0 317.477 2.369 20 30 DEEDRP COc1ccc(CCNC(=[NH2+])NCC2([NH+](C)C)CCCC2)cc1 ZINC000264117037 533478805 /nfs/dbraw/zinc/47/88/05/533478805.db2.gz QFCQZCHPHMJLAA-UHFFFAOYSA-N 2 0 318.465 2.016 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000112453752 401745730 /nfs/dbraw/zinc/74/57/30/401745730.db2.gz LUZJHMQANKRYBN-UHFFFAOYSA-N 2 0 310.486 2.058 20 30 DEEDRP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000121044385 402011815 /nfs/dbraw/zinc/01/18/15/402011815.db2.gz CAMPXXMLSSPWIO-WMZOPIPTSA-N 2 0 318.461 2.038 20 30 DEEDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069680069 402238638 /nfs/dbraw/zinc/23/86/38/402238638.db2.gz MXKYPIUPYYSRFV-UHFFFAOYSA-N 2 0 300.450 2.066 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1csc(CN)n1)C(C)C ZINC000178706784 402528730 /nfs/dbraw/zinc/52/87/30/402528730.db2.gz APMAZAGCLPUVFC-CQSZACIVSA-N 2 0 322.478 2.030 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000170912012 402540849 /nfs/dbraw/zinc/54/08/49/402540849.db2.gz RJPJTDKRJLSUJT-HNNXBMFYSA-N 2 0 318.465 2.220 20 30 DEEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922708 402719551 /nfs/dbraw/zinc/71/95/51/402719551.db2.gz PLJYPSFRHACORN-MRXNPFEDSA-N 2 0 314.433 2.160 20 30 DEEDRP C[N@@H+](CC#Cc1cccc(Cl)c1)CCCN1CC[NH+](C)CC1 ZINC000182965239 402729928 /nfs/dbraw/zinc/72/99/28/402729928.db2.gz KAXNUUIXDSJAQX-UHFFFAOYSA-N 2 0 319.880 2.261 20 30 DEEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000271817306 402884371 /nfs/dbraw/zinc/88/43/71/402884371.db2.gz BWDZUXBZDQCWRE-QAPCUYQASA-N 2 0 301.434 2.446 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281672716 403080603 /nfs/dbraw/zinc/08/06/03/403080603.db2.gz LRGNKLCYHNYOOO-INIZCTEOSA-N 2 0 305.422 2.013 20 30 DEEDRP C=CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000342729385 403325680 /nfs/dbraw/zinc/32/56/80/403325680.db2.gz DQRVKPSNNODPJY-UHFFFAOYSA-N 2 0 315.461 2.407 20 30 DEEDRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000289461960 403975294 /nfs/dbraw/zinc/97/52/94/403975294.db2.gz ONPRNFKAAFGQPG-UHFFFAOYSA-N 2 0 318.490 2.079 20 30 DEEDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000567285372 292302682 /nfs/dbraw/zinc/30/26/82/292302682.db2.gz UUVJMYLNALBCND-IBGZPJMESA-N 2 0 312.461 2.163 20 30 DEEDRP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000350725396 404450359 /nfs/dbraw/zinc/45/03/59/404450359.db2.gz WLBZBAPWBUVGCM-FZDBZEDMSA-N 2 0 308.466 2.084 20 30 DEEDRP CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000330217391 404589618 /nfs/dbraw/zinc/58/96/18/404589618.db2.gz NVQFYNMCYZOPSR-MRXNPFEDSA-N 2 0 319.453 2.054 20 30 DEEDRP C=CC[C@@H]1[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCC1(C)C ZINC000414760257 404726324 /nfs/dbraw/zinc/72/63/24/404726324.db2.gz QDGAUTAKXWCVIY-CVEARBPZSA-N 2 0 307.482 2.250 20 30 DEEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC)CCC#N)CC1 ZINC000353295143 404794640 /nfs/dbraw/zinc/79/46/40/404794640.db2.gz LRAVVVAALNBJSV-UHFFFAOYSA-N 2 0 322.497 2.192 20 30 DEEDRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424145504 405020892 /nfs/dbraw/zinc/02/08/92/405020892.db2.gz YXHUMUQTVAMYQB-QGZVFWFLSA-N 2 0 316.449 2.166 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000424157631 405025495 /nfs/dbraw/zinc/02/54/95/405025495.db2.gz NKBKQAVDDYFFEY-LBPRGKRZSA-N 2 0 314.311 2.124 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454556311 405363358 /nfs/dbraw/zinc/36/33/58/405363358.db2.gz ZDFLHTLWZMAXRU-UHFFFAOYSA-N 2 0 322.497 2.202 20 30 DEEDRP C=CCCOCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012965 405695459 /nfs/dbraw/zinc/69/54/59/405695459.db2.gz LRJVHEHANJHQKT-FUHWJXTLSA-N 2 0 302.418 2.425 20 30 DEEDRP CCC[NH2+]CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423314538 405758465 /nfs/dbraw/zinc/75/84/65/405758465.db2.gz WCQCAYOUIBWBAM-UHFFFAOYSA-N 2 0 300.450 2.112 20 30 DEEDRP N#CCCOCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000339200901 226183054 /nfs/dbraw/zinc/18/30/54/226183054.db2.gz KSCPEYMBCJZCOX-OALUTQOASA-N 2 0 313.445 2.371 20 30 DEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000651830454 425148968 /nfs/dbraw/zinc/14/89/68/425148968.db2.gz UGZQRUXDDYPBBO-ZWKOTPCHSA-N 2 0 321.509 2.117 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])C(C)C ZINC000659436706 425603150 /nfs/dbraw/zinc/60/31/50/425603150.db2.gz PLMPMILAIRTYTG-HNNXBMFYSA-N 2 0 310.486 2.064 20 30 DEEDRP C=CCCn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940581 425692704 /nfs/dbraw/zinc/69/27/04/425692704.db2.gz CXQKSDCBFWWKLI-HZPDHXFCSA-N 2 0 303.454 2.066 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662678369 425710880 /nfs/dbraw/zinc/71/08/80/425710880.db2.gz FSTPHSHWFPHXIW-WMZOPIPTSA-N 2 0 319.424 2.243 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730906 425724021 /nfs/dbraw/zinc/72/40/21/425724021.db2.gz URQGBHUUJWGWHU-APWZRJJASA-N 2 0 315.461 2.321 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922366 782048738 /nfs/dbraw/zinc/04/87/38/782048738.db2.gz HFRXWCMHTLYSMU-PBHICJAKSA-N 2 0 301.434 2.127 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCC([NH3+])CC1)C(C)C ZINC000417062328 277851102 /nfs/dbraw/zinc/85/11/02/277851102.db2.gz LVEKCQUIUYMFLB-OFLPRAFFSA-N 2 0 322.497 2.254 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353640413 279263934 /nfs/dbraw/zinc/26/39/34/279263934.db2.gz UQLXMXJBDPWCEZ-BEFAXECRSA-N 2 0 312.461 2.161 20 30 DEEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)N1 ZINC000261556221 341360460 /nfs/dbraw/zinc/36/04/60/341360460.db2.gz VSRMQJHQOZAURP-RDJZCZTQSA-N 2 0 300.450 2.226 20 30 DEEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001329935531 1149019058 /nfs/dbraw/zinc/01/90/58/1149019058.db2.gz DLSXYOUOGAZHEU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001329939505 1149020411 /nfs/dbraw/zinc/02/04/11/1149020411.db2.gz UCPRSZUIQHFDIY-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001437333677 1179731527 /nfs/dbraw/zinc/73/15/27/1179731527.db2.gz QBVIWGJXBUFXQQ-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261749008 526369740 /nfs/dbraw/zinc/36/97/40/526369740.db2.gz LOYMJTKRTXRDHX-XHSDSOJGSA-N 2 0 324.513 2.085 20 30 DEEDRP C#Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000377656265 527433654 /nfs/dbraw/zinc/43/36/54/527433654.db2.gz RVDMMUDUVNPGRY-PXNSSMCTSA-N 2 0 311.473 2.126 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264261489 527721645 /nfs/dbraw/zinc/72/16/45/527721645.db2.gz JMHLJABCBVUHRC-UHFFFAOYSA-N 2 0 320.481 2.120 20 30 DEEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264090632 529349992 /nfs/dbraw/zinc/34/99/92/529349992.db2.gz KVYYNEDHVRDJLU-NVXWUHKLSA-N 2 0 302.466 2.254 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489862 625294429 /nfs/dbraw/zinc/29/44/29/625294429.db2.gz MKEWLGHYVZIJSF-HNNXBMFYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023573171 625330452 /nfs/dbraw/zinc/33/04/52/625330452.db2.gz ULYYKKIUZHEKCP-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001026385493 625393756 /nfs/dbraw/zinc/39/37/56/625393756.db2.gz CAIHVLUFDBKVQH-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459488 625452880 /nfs/dbraw/zinc/45/28/80/625452880.db2.gz OKHPGJCAMPFEPY-LSDHHAIUSA-N 2 0 324.428 2.417 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486836 625478331 /nfs/dbraw/zinc/47/83/31/625478331.db2.gz XOUMGKLIJKURNF-JKSUJKDBSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001026550651 625518954 /nfs/dbraw/zinc/51/89/54/625518954.db2.gz RMCHLYVVQHPEMQ-UHFFFAOYSA-N 2 0 305.422 2.158 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001026553349 625520961 /nfs/dbraw/zinc/52/09/61/625520961.db2.gz XIISUUFVLDJKJX-UHFFFAOYSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970017486 623057326 /nfs/dbraw/zinc/05/73/26/623057326.db2.gz WHQUPIKBBIPLDK-ZDUSSCGKSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971626787 624200808 /nfs/dbraw/zinc/20/08/08/624200808.db2.gz BDQCTIYHCJLVSB-AWEZNQCLSA-N 2 0 307.463 2.142 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891521062 624467696 /nfs/dbraw/zinc/46/76/96/624467696.db2.gz SAUGRFWNYAJUAF-MRXNPFEDSA-N 2 0 322.497 2.104 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024811849 625064677 /nfs/dbraw/zinc/06/46/77/625064677.db2.gz BZGURQPXVGDCTN-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000236663039 625122549 /nfs/dbraw/zinc/12/25/49/625122549.db2.gz ZANUKXNTOANBPX-ZACQAIPSSA-N 2 0 307.482 2.319 20 30 DEEDRP 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 625151418 /nfs/dbraw/zinc/15/14/18/625151418.db2.gz SCLAPGMCFISDJK-WKULXVSPSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000998902653 634442169 /nfs/dbraw/zinc/44/21/69/634442169.db2.gz WLDFQXYEDLMODG-PREGVCBESA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024469516 625799858 /nfs/dbraw/zinc/79/98/58/625799858.db2.gz SBARDBMMEHPACM-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001019823641 625839018 /nfs/dbraw/zinc/83/90/18/625839018.db2.gz OYEHNRFYPXJKGG-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000999276454 634545091 /nfs/dbraw/zinc/54/50/91/634545091.db2.gz WZHBLGFWJDTXDD-CQSZACIVSA-N 2 0 307.463 2.190 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001000238011 634812208 /nfs/dbraw/zinc/81/22/08/634812208.db2.gz WNSYAGNKBQOYCT-KRWDZBQOSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC000995983681 633153545 /nfs/dbraw/zinc/15/35/45/633153545.db2.gz HCAXPVWDBIMQPC-INIZCTEOSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686906 633235630 /nfs/dbraw/zinc/23/56/30/633235630.db2.gz ZBTPJQAAMAQXMC-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996667871 633338995 /nfs/dbraw/zinc/33/89/95/633338995.db2.gz FSVABWYEPFXZHG-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975115888 633426269 /nfs/dbraw/zinc/42/62/69/633426269.db2.gz ZTIHJQNPGPAIEW-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997141442 633624783 /nfs/dbraw/zinc/62/47/83/633624783.db2.gz YEJBWPZROZXVTR-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997613539 633899544 /nfs/dbraw/zinc/89/95/44/633899544.db2.gz JVICNZDOFFRHHE-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027546516 634073802 /nfs/dbraw/zinc/07/38/02/634073802.db2.gz PXOUTWNQSWDQOI-HNNXBMFYSA-N 2 0 305.422 2.064 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997951660 634074193 /nfs/dbraw/zinc/07/41/93/634074193.db2.gz YNNNYQYAYOQNQS-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981168805 635339451 /nfs/dbraw/zinc/33/94/51/635339451.db2.gz WVORHUHAPKTFLX-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981166005 635345915 /nfs/dbraw/zinc/34/59/15/635345915.db2.gz IPQZYVSTVSGFHD-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981324428 635440050 /nfs/dbraw/zinc/44/00/50/635440050.db2.gz LNWSNDTXYBJVTG-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001269365 635445245 /nfs/dbraw/zinc/44/52/45/635445245.db2.gz NIUXMAZHZDFHPQ-UHFFFAOYSA-N 2 0 313.445 2.296 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001001474236 635514906 /nfs/dbraw/zinc/51/49/06/635514906.db2.gz VTMJPZWGLSRKNE-GOSISDBHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001521820 635521234 /nfs/dbraw/zinc/52/12/34/635521234.db2.gz JTSNHLDAWPEDFF-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001925332 635578506 /nfs/dbraw/zinc/57/85/06/635578506.db2.gz PFUGGQDLDLUEDO-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000981932950 635737124 /nfs/dbraw/zinc/73/71/24/635737124.db2.gz GACMQOREXQFFLE-OAHLLOKOSA-N 2 0 316.449 2.330 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009151 635808348 /nfs/dbraw/zinc/80/83/48/635808348.db2.gz HHIOOMSJYRIZME-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001002859665 635822166 /nfs/dbraw/zinc/82/21/66/635822166.db2.gz QULXKDWWUWFWQZ-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000922386578 636152247 /nfs/dbraw/zinc/15/22/47/636152247.db2.gz GKIXFEJXKFYEBU-NCOADZHNSA-N 2 0 319.474 2.189 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982561674 636267747 /nfs/dbraw/zinc/26/77/47/636267747.db2.gz XOHLZTYGPATMSC-YTQUADARSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946624015 636476987 /nfs/dbraw/zinc/47/69/87/636476987.db2.gz YNZHWAPBRQQMQT-KSZLIROESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004540001 636485782 /nfs/dbraw/zinc/48/57/82/636485782.db2.gz AOOFCWYCGFSWDD-SJLPKXTDSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]C(C)C)CC1 ZINC001005006832 636633218 /nfs/dbraw/zinc/63/32/18/636633218.db2.gz ZTEZZRRCJMBKDM-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755566 636705345 /nfs/dbraw/zinc/70/53/45/636705345.db2.gz QEMPNLKYLZDESZ-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261986760 636965920 /nfs/dbraw/zinc/96/59/20/636965920.db2.gz KEYOVEFANZACHD-MRXNPFEDSA-N 2 0 300.450 2.178 20 30 DEEDRP Cc1cc(N)nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH+]1 ZINC000894406993 637011832 /nfs/dbraw/zinc/01/18/32/637011832.db2.gz KPWOTCIFNDELSU-UHFFFAOYSA-N 2 0 322.416 2.315 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(C#N)c1 ZINC000894455729 637050007 /nfs/dbraw/zinc/05/00/07/637050007.db2.gz IRTZZKGVMVEZSU-MRXNPFEDSA-N 2 0 320.506 2.468 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000923354082 637134981 /nfs/dbraw/zinc/13/49/81/637134981.db2.gz QBPAUEVYPFLPGX-SFHVURJKSA-N 2 0 301.434 2.433 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001006082955 637177260 /nfs/dbraw/zinc/17/72/60/637177260.db2.gz FJBOKPXVRGIMRC-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989107787 640722257 /nfs/dbraw/zinc/72/22/57/640722257.db2.gz BBDJMZSBNXXVDN-TZMCWYRMSA-N 2 0 318.808 2.279 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729976988 640866370 /nfs/dbraw/zinc/86/63/70/640866370.db2.gz HVCNYPVAHZBDDH-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000989737550 641215742 /nfs/dbraw/zinc/21/57/42/641215742.db2.gz SHKFBSDRGRRNFQ-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000900656658 642435286 /nfs/dbraw/zinc/43/52/86/642435286.db2.gz NDSYSYLJTNBSDC-UHFFFAOYSA-N 2 0 319.449 2.098 20 30 DEEDRP C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(C#N)ccn1 ZINC000902801606 643142067 /nfs/dbraw/zinc/14/20/67/643142067.db2.gz CBASVDJVHMENMR-PBHICJAKSA-N 2 0 314.433 2.247 20 30 DEEDRP C=CC[N@H+](CCc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725866 643441163 /nfs/dbraw/zinc/44/11/63/643441163.db2.gz INAATVUHDVCHIO-RTBURBONSA-N 2 0 300.446 2.486 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000907449577 644557441 /nfs/dbraw/zinc/55/74/41/644557441.db2.gz XNKZFIHZSOATGM-DOTOQJQBSA-N 2 0 303.450 2.302 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991621218 646548321 /nfs/dbraw/zinc/54/83/21/646548321.db2.gz HJCFKMLALZHUHP-HKUYNNGSSA-N 2 0 322.412 2.084 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991624463 646549231 /nfs/dbraw/zinc/54/92/31/646549231.db2.gz MVWDMMJIDRYLPD-HKUYNNGSSA-N 2 0 322.412 2.084 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171297 646885076 /nfs/dbraw/zinc/88/50/76/646885076.db2.gz XIOCPELGJNQNCL-QFBILLFUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000913709612 647013817 /nfs/dbraw/zinc/01/38/17/647013817.db2.gz RNZNZKNCOZXKPT-GOSISDBHSA-N 2 0 315.461 2.193 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000913724538 647018723 /nfs/dbraw/zinc/01/87/23/647018723.db2.gz KLHPYLFRZBTVRV-GOSISDBHSA-N 2 0 315.461 2.193 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000992759317 647228578 /nfs/dbraw/zinc/22/85/78/647228578.db2.gz SBARMXWIESGGJF-BRWVUGGUSA-N 2 0 317.477 2.018 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994128948 647790997 /nfs/dbraw/zinc/79/09/97/647790997.db2.gz FDPUHYHRNNXRCZ-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000939505413 648670206 /nfs/dbraw/zinc/67/02/06/648670206.db2.gz FGMSCJZKJXKPKG-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948244724 648836118 /nfs/dbraw/zinc/83/61/18/648836118.db2.gz IYSIAIMGCJTLDE-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745657 648933120 /nfs/dbraw/zinc/93/31/20/648933120.db2.gz RUCYIEDMEORQOY-IRXDYDNUSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798303 648948246 /nfs/dbraw/zinc/94/82/46/648948246.db2.gz GDGZXDPYKILBEQ-DLBZAZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C#C[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCOCC1 ZINC000827566694 649052681 /nfs/dbraw/zinc/05/26/81/649052681.db2.gz YXCKWOMTLFYQGV-GOSISDBHSA-N 2 0 310.401 2.094 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172379 649174012 /nfs/dbraw/zinc/17/40/12/649174012.db2.gz JSBZRMCHUOWKBT-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP CC[NH+](CC)Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852858888 652471058 /nfs/dbraw/zinc/47/10/58/652471058.db2.gz JOSCWQFJMDJSQV-UHFFFAOYSA-N 2 0 313.445 2.470 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001392498139 1157075412 /nfs/dbraw/zinc/07/54/12/1157075412.db2.gz SUVXJLMNAVEZLO-CQSZACIVSA-N 2 0 315.889 2.345 20 30 DEEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCSCC1 ZINC000304756521 685260071 /nfs/dbraw/zinc/26/00/71/685260071.db2.gz NRVMBPMBKFXAAH-MRXNPFEDSA-N 2 0 324.538 2.395 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(C)cc1 ZINC000304764025 685261274 /nfs/dbraw/zinc/26/12/74/685261274.db2.gz XLARDARTSLFJBY-CVEARBPZSA-N 2 0 318.465 2.151 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000104159750 684058396 /nfs/dbraw/zinc/05/83/96/684058396.db2.gz REKZXDJNCUXBIR-GJZGRUSLSA-N 2 0 318.465 2.475 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000104168657 684058723 /nfs/dbraw/zinc/05/87/23/684058723.db2.gz HHVQNCBNLCGGHT-UHFFFAOYSA-N 2 0 302.466 2.385 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054153286 693863911 /nfs/dbraw/zinc/86/39/11/693863911.db2.gz NOJWFVLPTYVWPK-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000303872630 685236908 /nfs/dbraw/zinc/23/69/08/685236908.db2.gz CCYWCCVVACYSHR-QGZVFWFLSA-N 2 0 302.466 2.420 20 30 DEEDRP CC(C)NC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000303891629 685238647 /nfs/dbraw/zinc/23/86/47/685238647.db2.gz NEONOYRKCRMSLU-GJZGRUSLSA-N 2 0 318.465 2.109 20 30 DEEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000303908628 685239728 /nfs/dbraw/zinc/23/97/28/685239728.db2.gz XRUGFBLLYNIYMZ-INIZCTEOSA-N 2 0 314.477 2.481 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCCC[C@H]1C ZINC000303907783 685240550 /nfs/dbraw/zinc/24/05/50/685240550.db2.gz XAZBVXHMJLYFRF-SJORKVTESA-N 3 0 323.529 2.030 20 30 DEEDRP CCOc1ccccc1CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303990094 685243504 /nfs/dbraw/zinc/24/35/04/685243504.db2.gz YFFXJVPYNWRIEY-INIZCTEOSA-N 2 0 318.465 2.016 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001054722421 694032719 /nfs/dbraw/zinc/03/27/19/694032719.db2.gz QIDCBXLOYNZGAG-GXTWGEPZSA-N 2 0 307.463 2.046 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016689428 687683571 /nfs/dbraw/zinc/68/35/71/687683571.db2.gz ZXHYRHRNGJUCPE-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761549 687697347 /nfs/dbraw/zinc/69/73/47/687697347.db2.gz MSUOHTWWRWQJKH-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001016798398 687705391 /nfs/dbraw/zinc/70/53/91/687705391.db2.gz PTDDSLPNKADCGN-HNNXBMFYSA-N 2 0 317.433 2.112 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051882 688039692 /nfs/dbraw/zinc/03/96/92/688039692.db2.gz KWCLUIXEVSSPRE-BDXSIMOUSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001018966537 688262702 /nfs/dbraw/zinc/26/27/02/688262702.db2.gz LVWLIZUAMONQPK-DOTOQJQBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541659 688540932 /nfs/dbraw/zinc/54/09/32/688540932.db2.gz CWLHTHYFXVUKMF-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032446133 689153291 /nfs/dbraw/zinc/15/32/91/689153291.db2.gz WAUKOAWYUHKQNG-BZSNNMDCSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001032445448 689153756 /nfs/dbraw/zinc/15/37/56/689153756.db2.gz GTRCGFHPGBIJJW-IKGGRYGDSA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213862 689427237 /nfs/dbraw/zinc/42/72/37/689427237.db2.gz OAPMHNKXELHXMI-MRXNPFEDSA-N 2 0 312.417 2.365 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825589 689628559 /nfs/dbraw/zinc/62/85/59/689628559.db2.gz FPPNHQBFHDUGDJ-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291098 689798247 /nfs/dbraw/zinc/79/82/47/689798247.db2.gz PIKWOTMFWSZZKX-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034399839 689835658 /nfs/dbraw/zinc/83/56/58/689835658.db2.gz VDQFVBNZODHPGS-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000876725806 689917047 /nfs/dbraw/zinc/91/70/47/689917047.db2.gz XXGOSJXVBXROOE-JSGCOSHPSA-N 2 0 301.862 2.085 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001034642545 689917234 /nfs/dbraw/zinc/91/72/34/689917234.db2.gz HCCCGNFFDQRSKP-LUKYLMHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000876732417 689919809 /nfs/dbraw/zinc/91/98/09/689919809.db2.gz VMLMAZVRPVQHJS-LSDHHAIUSA-N 2 0 309.841 2.184 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000876735030 689920542 /nfs/dbraw/zinc/92/05/42/689920542.db2.gz YEXUIRWUKNBZFR-WHOFXGATSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001034698863 689929330 /nfs/dbraw/zinc/92/93/30/689929330.db2.gz YIJZJJHVEURJBK-BZSNNMDCSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035837530 690189118 /nfs/dbraw/zinc/18/91/18/690189118.db2.gz XQDMDGPECSOKGX-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036763020 690463494 /nfs/dbraw/zinc/46/34/94/690463494.db2.gz UIMCAQHSZTYEJR-FUHWJXTLSA-N 2 0 324.428 2.447 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878746053 690490174 /nfs/dbraw/zinc/49/01/74/690490174.db2.gz QONSPSXPDHJRJD-LJQANCHMSA-N 2 0 322.412 2.199 20 30 DEEDRP C#CC[C@@H]1CCC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878762014 690494085 /nfs/dbraw/zinc/49/40/85/690494085.db2.gz VRNFNWZVKZBONS-QUCCMNQESA-N 2 0 312.457 2.359 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C(C)C)CC1 ZINC001037280988 690602605 /nfs/dbraw/zinc/60/26/05/690602605.db2.gz ZESYTOZWDVABCZ-ZWKOTPCHSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1CC ZINC001037890391 690634021 /nfs/dbraw/zinc/63/40/21/690634021.db2.gz REXDDEOQMVAQAQ-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038405557 690809663 /nfs/dbraw/zinc/80/96/63/690809663.db2.gz OUMFAZCKWFIGCT-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039298185 691076772 /nfs/dbraw/zinc/07/67/72/691076772.db2.gz OIVQOEVPIZRTHY-ALOPSCKCSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040241534 691219594 /nfs/dbraw/zinc/21/95/94/691219594.db2.gz OWKBRWLNCKSQQW-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040398937 691242147 /nfs/dbraw/zinc/24/21/47/691242147.db2.gz MLUBHCCNODACKX-FUHWJXTLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040701300 691280448 /nfs/dbraw/zinc/28/04/48/691280448.db2.gz XRBJJVZYSQEYSY-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477233 691382456 /nfs/dbraw/zinc/38/24/56/691382456.db2.gz ZOWGMHKHOJWJRD-IBGZPJMESA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041647636 691404917 /nfs/dbraw/zinc/40/49/17/691404917.db2.gz ZUARFIPDHLYSRN-SJLPKXTDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041679841 691409757 /nfs/dbraw/zinc/40/97/57/691409757.db2.gz OZZKDZZTXKGLFU-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785582 691429779 /nfs/dbraw/zinc/42/97/79/691429779.db2.gz ITEDIYYUPAUIAU-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCN(C)CCC[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000883131307 691435808 /nfs/dbraw/zinc/43/58/08/691435808.db2.gz VLAJJQWPXXWPNV-UHFFFAOYSA-N 2 0 302.418 2.281 20 30 DEEDRP C=CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000883220960 691459922 /nfs/dbraw/zinc/45/99/22/691459922.db2.gz RSAVYCIMIVXXSH-IRXDYDNUSA-N 2 0 309.498 2.116 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216149 691538082 /nfs/dbraw/zinc/53/80/82/691538082.db2.gz MKXDCZLDRTWVRK-AEFFLSMTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371147 691584726 /nfs/dbraw/zinc/58/47/26/691584726.db2.gz MBRUUXNTVKVCET-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319947 692152646 /nfs/dbraw/zinc/15/26/46/692152646.db2.gz YXKXWIUANBGSMO-APWZRJJASA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560591 692647561 /nfs/dbraw/zinc/64/75/61/692647561.db2.gz LNIFFPHHERSQLT-VBUUOAMHSA-N 2 0 319.493 2.264 20 30 DEEDRP 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 692647922 /nfs/dbraw/zinc/64/79/22/692647922.db2.gz QBFOLAHISXCNDE-UYTYNIKBSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545800 692917749 /nfs/dbraw/zinc/91/77/49/692917749.db2.gz MVEBFTRDMAIPNF-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001049553359 692919509 /nfs/dbraw/zinc/91/95/09/692919509.db2.gz UFPZATAGAPWOJI-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671620 692960877 /nfs/dbraw/zinc/96/08/77/692960877.db2.gz LXZGAURQICEJIV-XLAORIBOSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049763774 692992387 /nfs/dbraw/zinc/99/23/87/692992387.db2.gz YOSAUIULJFYFFY-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050046465 693090858 /nfs/dbraw/zinc/09/08/58/693090858.db2.gz FVTPHADWMBLQHI-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001050170629 693128353 /nfs/dbraw/zinc/12/83/53/693128353.db2.gz AVJHNRHEVUMKRU-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001050564626 693207563 /nfs/dbraw/zinc/20/75/63/693207563.db2.gz SOIIVUALTAYDMK-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050652496 693224607 /nfs/dbraw/zinc/22/46/07/693224607.db2.gz TZYRICZGKMIIPX-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001050765488 693247086 /nfs/dbraw/zinc/24/70/86/693247086.db2.gz RUBLHJMOYGDSLA-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446860 693537542 /nfs/dbraw/zinc/53/75/42/693537542.db2.gz RURMDJNFXIUANZ-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515824 693554910 /nfs/dbraw/zinc/55/49/10/693554910.db2.gz JWTGZOBVDCURJQ-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052592772 693574121 /nfs/dbraw/zinc/57/41/21/693574121.db2.gz YUYUEWFSSPOWOS-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765194 693614760 /nfs/dbraw/zinc/61/47/60/693614760.db2.gz WYOJYHPOEACKTC-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052956283 693656836 /nfs/dbraw/zinc/65/68/36/693656836.db2.gz RGUUWOSDMNFVEX-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051549 693677905 /nfs/dbraw/zinc/67/79/05/693677905.db2.gz NSCBEHIPDRWFMO-ROUUACIJSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)C(C)(C)C ZINC001332839753 1149899230 /nfs/dbraw/zinc/89/92/30/1149899230.db2.gz ZOGUTVVSCBHEOT-QGZVFWFLSA-N 2 0 324.428 2.240 20 30 DEEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335395203 1150405746 /nfs/dbraw/zinc/40/57/46/1150405746.db2.gz RMMOSBYPHHANPZ-MRXNPFEDSA-N 2 0 314.433 2.207 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001402682152 1162441539 /nfs/dbraw/zinc/44/15/39/1162441539.db2.gz FZMDUJZHUZXVIC-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001354500965 1151899344 /nfs/dbraw/zinc/89/93/44/1151899344.db2.gz XEQOQFREWZJHIW-ZWKOTPCHSA-N 2 0 315.461 2.369 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001389528204 1155362135 /nfs/dbraw/zinc/36/21/35/1155362135.db2.gz MDPBAKSNFVVCJZ-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001371633896 1155889373 /nfs/dbraw/zinc/88/93/73/1155889373.db2.gz KNEWNFZTFDAXOK-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)CN(CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001372715255 1156695570 /nfs/dbraw/zinc/69/55/70/1156695570.db2.gz WRGUNZFQMUNTBB-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001404501477 1163684952 /nfs/dbraw/zinc/68/49/52/1163684952.db2.gz QUVYBWUMMPUPAY-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001418422856 1167644146 /nfs/dbraw/zinc/64/41/46/1167644146.db2.gz BHCUJQNUHVJPGC-AWEZNQCLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001424840177 1173978448 /nfs/dbraw/zinc/97/84/48/1173978448.db2.gz KGFFNYOTJMXLCP-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001424854032 1173991606 /nfs/dbraw/zinc/99/16/06/1173991606.db2.gz KYNXCZCLKZPTRP-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001444825510 1183576128 /nfs/dbraw/zinc/57/61/28/1183576128.db2.gz JRKGMNBIGQMPIT-HIFRSBDPSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001449031122 1185498781 /nfs/dbraw/zinc/49/87/81/1185498781.db2.gz YCNIPLYTILIFAB-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106336381 782660232 /nfs/dbraw/zinc/66/02/32/782660232.db2.gz LIVUWBZMLOGJOC-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106478045 782734891 /nfs/dbraw/zinc/73/48/91/782734891.db2.gz WPDNKNGFIWETCW-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663557 783201170 /nfs/dbraw/zinc/20/11/70/783201170.db2.gz XCSAGLHYNAQPKE-HIFRSBDPSA-N 2 0 305.422 2.110 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072955425 790329155 /nfs/dbraw/zinc/32/91/55/790329155.db2.gz KBGMDHNNEJEYBA-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425127 777019269 /nfs/dbraw/zinc/01/92/69/777019269.db2.gz CALQPJAPUMJUQN-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167610173 777390158 /nfs/dbraw/zinc/39/01/58/777390158.db2.gz QPKLKWDCDWWAJP-CQSZACIVSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104679917 778017184 /nfs/dbraw/zinc/01/71/84/778017184.db2.gz MTEKCSXXLOKERA-RCCFBDPRSA-N 2 0 321.509 2.369 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(N)c(C#N)c2)CC1 ZINC001213433399 778467331 /nfs/dbraw/zinc/46/73/31/778467331.db2.gz BQBRYJZRULZCLH-UHFFFAOYSA-N 2 0 308.389 2.031 20 30 DEEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001167834117 778683585 /nfs/dbraw/zinc/68/35/85/778683585.db2.gz HOOIALSFFLQDAS-OAHLLOKOSA-N 2 0 309.454 2.276 20 30 DEEDRP C=CCN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CCCCC1 ZINC001161247992 778798398 /nfs/dbraw/zinc/79/83/98/778798398.db2.gz PCCRYVVXWCHJNJ-MRXNPFEDSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001073462961 790672032 /nfs/dbraw/zinc/67/20/32/790672032.db2.gz ZRJZUIDMDCNBBO-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)[C@H]1CC ZINC001087720327 779422512 /nfs/dbraw/zinc/42/25/12/779422512.db2.gz OSWPEOZJOXUZLY-OFQRWUPVSA-N 2 0 316.449 2.375 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1CC ZINC001087792273 779453477 /nfs/dbraw/zinc/45/34/77/779453477.db2.gz WJSDYBVGGGRQIG-KSZLIROESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129272 779717366 /nfs/dbraw/zinc/71/73/66/779717366.db2.gz FUZKVMIPWUIGFH-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C#CC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000985511869 779880837 /nfs/dbraw/zinc/88/08/37/779880837.db2.gz ZVYVZLBSQFZJKV-UHFFFAOYSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088277612 779900696 /nfs/dbraw/zinc/90/06/96/779900696.db2.gz DIRBATVQJILSLV-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088381855 780052209 /nfs/dbraw/zinc/05/22/09/780052209.db2.gz OMJMWXQUVXPYQE-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168200314 780460390 /nfs/dbraw/zinc/46/03/90/780460390.db2.gz URRFBCZOMAKZIY-UHFFFAOYSA-N 2 0 319.493 2.152 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569062 780495069 /nfs/dbraw/zinc/49/50/69/780495069.db2.gz FWLOOVRNDJYPNG-RYRKJORJSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688370 780710285 /nfs/dbraw/zinc/71/02/85/780710285.db2.gz HRIMRQHOYNBSIQ-PBHICJAKSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702689 780864733 /nfs/dbraw/zinc/86/47/33/780864733.db2.gz CVMPPJCNBPQVPM-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000948423654 783461083 /nfs/dbraw/zinc/46/10/83/783461083.db2.gz BOKAHLZEAPPFRY-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985345 784287564 /nfs/dbraw/zinc/28/75/64/784287564.db2.gz ZTMNNXRWXYAISQ-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331715 784294018 /nfs/dbraw/zinc/29/40/18/784294018.db2.gz QFTMVMJUNFQPSB-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968497965 784426412 /nfs/dbraw/zinc/42/64/12/784426412.db2.gz UILZXIHMKMQPNN-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674338 784533901 /nfs/dbraw/zinc/53/39/01/784533901.db2.gz QOYDULJCZYJLII-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882039 784636323 /nfs/dbraw/zinc/63/63/23/784636323.db2.gz FWNWMNIRZFYUHC-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086387012 784640435 /nfs/dbraw/zinc/64/04/35/784640435.db2.gz OOLVDZBXWMXNQV-ULQDDVLXSA-N 2 0 307.482 2.025 20 30 DEEDRP C/C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001169005962 785000394 /nfs/dbraw/zinc/00/03/94/785000394.db2.gz DOTRQPKBLCDIIO-JKSUJKDBSA-N 2 0 304.394 2.099 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108751764 785523796 /nfs/dbraw/zinc/52/37/96/785523796.db2.gz ZDUCBXBRIFVJED-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP 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 785868686 /nfs/dbraw/zinc/86/86/86/785868686.db2.gz YOXOJCKNKIFXPB-QZWWFDLISA-N 2 0 307.482 2.260 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001113544103 786674044 /nfs/dbraw/zinc/67/40/44/786674044.db2.gz VJCWGCKXIIUJMA-UHFFFAOYSA-N 2 0 307.482 2.197 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724330 786724410 /nfs/dbraw/zinc/72/44/10/786724410.db2.gz UHANWYRJCSJWQI-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558710 787432531 /nfs/dbraw/zinc/43/25/31/787432531.db2.gz LGBIUHFXQQVRLS-UHFFFAOYSA-N 2 0 318.465 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799108 787743643 /nfs/dbraw/zinc/74/36/43/787743643.db2.gz IBZXEYAGUADEMQ-MRXNPFEDSA-N 2 0 317.477 2.465 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132264879 787996242 /nfs/dbraw/zinc/99/62/42/787996242.db2.gz DDKKJEZAQWBPFV-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 788020430 /nfs/dbraw/zinc/02/04/30/788020430.db2.gz PDZXRIOXUUDDGK-TVFCKZIOSA-N 2 0 319.493 2.262 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549730 788126926 /nfs/dbraw/zinc/12/69/26/788126926.db2.gz YSFPTPHHQQAVJR-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983738 788247991 /nfs/dbraw/zinc/24/79/91/788247991.db2.gz JUEJJUWQIFVWJP-UHFFFAOYSA-N 2 0 307.438 2.407 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CCN(Cc2[nH]c(C)cc2C)CC1 ZINC001137332570 788306215 /nfs/dbraw/zinc/30/62/15/788306215.db2.gz ZLJHZWXMFBTWEO-UHFFFAOYSA-N 2 0 316.493 2.423 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275101 788346791 /nfs/dbraw/zinc/34/67/91/788346791.db2.gz PGONJTJEIMGIOT-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769685 789064012 /nfs/dbraw/zinc/06/40/12/789064012.db2.gz MASJEQBQGZZGME-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134819670 789106991 /nfs/dbraw/zinc/10/69/91/789106991.db2.gz CFXIPQVURAANEK-KGLIPLIRSA-N 2 0 312.417 2.153 20 30 DEEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077229 789190715 /nfs/dbraw/zinc/19/07/15/789190715.db2.gz MOBHMHMNEUYDNH-HZPDHXFCSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481803 789358856 /nfs/dbraw/zinc/35/88/56/789358856.db2.gz XSFQQQQJBOVRHH-IAGOWNOFSA-N 2 0 317.477 2.220 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902189 789553120 /nfs/dbraw/zinc/55/31/20/789553120.db2.gz OUGVOAGHJCVKAF-GJZGRUSLSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974657 789586129 /nfs/dbraw/zinc/58/61/29/789586129.db2.gz SNAVTDOIVOYWFW-UONOGXRCSA-N 2 0 303.878 2.344 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCC)C2)CC1 ZINC001072096008 790051371 /nfs/dbraw/zinc/05/13/71/790051371.db2.gz RYTLJSOFQCUFKP-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C[N@@H+]1CC[C@@H](c2ccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)cc2)C1 ZINC001171260074 791177048 /nfs/dbraw/zinc/17/70/48/791177048.db2.gz DHQVUCKBKGFXMW-MRXNPFEDSA-N 2 0 322.412 2.242 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583524 791315946 /nfs/dbraw/zinc/31/59/46/791315946.db2.gz MHMDOBPDARCLCJ-HZPDHXFCSA-N 2 0 315.461 2.258 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC)CC1 ZINC001146608689 791322198 /nfs/dbraw/zinc/32/21/98/791322198.db2.gz AQAHAFIBFQHBAM-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001074940131 791401280 /nfs/dbraw/zinc/40/12/80/791401280.db2.gz UGAQXXMVPTWTIX-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148217293 791712982 /nfs/dbraw/zinc/71/29/82/791712982.db2.gz XJUJRBLJHMWCST-UHFFFAOYSA-N 2 0 309.498 2.443 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098923730 791985368 /nfs/dbraw/zinc/98/53/68/791985368.db2.gz BHTQPNDPVWIDKL-YJBOKZPZSA-N 2 0 310.401 2.105 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001099029468 792049030 /nfs/dbraw/zinc/04/90/30/792049030.db2.gz COFHYWUAVNLTJP-AOIWGVFYSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115350 792101821 /nfs/dbraw/zinc/10/18/21/792101821.db2.gz GXNKWPQSXHIYRP-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116487 792102586 /nfs/dbraw/zinc/10/25/86/792102586.db2.gz RSYXBYROOFUKFN-HOTGVXAUSA-N 2 0 309.498 2.365 20 30 DEEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001099321362 792170624 /nfs/dbraw/zinc/17/06/24/792170624.db2.gz VKABONZHFXZQIT-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP 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 792233877 /nfs/dbraw/zinc/23/38/77/792233877.db2.gz KVKZYJXCBOGAMG-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001100764945 792832005 /nfs/dbraw/zinc/83/20/05/792832005.db2.gz MCTLONBPSJWODH-UHFFFAOYSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101363238 793134562 /nfs/dbraw/zinc/13/45/62/793134562.db2.gz RQBKPIWYSZNXNE-AOIWGVFYSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101441276 793162478 /nfs/dbraw/zinc/16/24/78/793162478.db2.gz PJLSZKHWDIDGEH-MJGOQNOKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101483726 793178457 /nfs/dbraw/zinc/17/84/57/793178457.db2.gz FNSCHVCSZYMMSO-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001094977562 793533509 /nfs/dbraw/zinc/53/35/09/793533509.db2.gz FOFLCFIWJJNBMR-XHSDSOJGSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172954461 793554293 /nfs/dbraw/zinc/55/42/93/793554293.db2.gz SXOYKEVXUHTJMR-RBUKOAKNSA-N 2 0 321.509 2.236 20 30 DEEDRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001173106634 793579714 /nfs/dbraw/zinc/57/97/14/793579714.db2.gz AMIBCCAZISRMJE-UHFFFAOYSA-N 2 0 316.449 2.144 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977191 793853043 /nfs/dbraw/zinc/85/30/43/793853043.db2.gz QCSDEULYTWIVEB-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103642888 794174910 /nfs/dbraw/zinc/17/49/10/794174910.db2.gz AHGPVHUQWPZRGQ-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103663865 794181270 /nfs/dbraw/zinc/18/12/70/794181270.db2.gz YHEFPNGALMSQIL-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722445 794202935 /nfs/dbraw/zinc/20/29/35/794202935.db2.gz NLQFXRXPHUOROP-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753022 794496010 /nfs/dbraw/zinc/49/60/10/794496010.db2.gz CEYNNMUYOQBCAE-ZWKOTPCHSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890077 794523671 /nfs/dbraw/zinc/52/36/71/794523671.db2.gz MBBMVYMJQXDSBS-UHFFFAOYSA-N 2 0 303.450 2.424 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483572 794935664 /nfs/dbraw/zinc/93/56/64/794935664.db2.gz DXLFMXJFFBUPFE-QZTJIDSGSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178692852 794976592 /nfs/dbraw/zinc/97/65/92/794976592.db2.gz DPHRIJOUZDGROW-SFHVURJKSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178692851 794977215 /nfs/dbraw/zinc/97/72/15/794977215.db2.gz DPHRIJOUZDGROW-GOSISDBHSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178702415 794982228 /nfs/dbraw/zinc/98/22/28/794982228.db2.gz ORSYMWZWUBSBOW-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234359 795081077 /nfs/dbraw/zinc/08/10/77/795081077.db2.gz LVNGWYITFZZPGC-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP N#Cc1cccc(NC(=O)CC[NH2+]CCC[NH+]2CCCCC2)c1 ZINC001118156176 795159160 /nfs/dbraw/zinc/15/91/60/795159160.db2.gz SQVUCDQHWCVGFP-UHFFFAOYSA-N 2 0 314.433 2.352 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138913 795240041 /nfs/dbraw/zinc/24/00/41/795240041.db2.gz QWACEBMKAGEPMJ-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001122243044 795739097 /nfs/dbraw/zinc/73/90/97/795739097.db2.gz YIQVWICVFIPLNP-APUKJBRXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001122336292 795748690 /nfs/dbraw/zinc/74/86/90/795748690.db2.gz UZANXMPXZDDROA-GOEBONIOSA-N 2 0 301.434 2.224 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001184577882 796087217 /nfs/dbraw/zinc/08/72/17/796087217.db2.gz QAODRMKOCOXLMI-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184822397 796133384 /nfs/dbraw/zinc/13/33/84/796133384.db2.gz RDZCJVUELDWTQS-CVEARBPZSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001184934349 796146770 /nfs/dbraw/zinc/14/67/70/796146770.db2.gz PTJNFGPJPVBHPU-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(Cl)c1C#N ZINC001139690366 796411129 /nfs/dbraw/zinc/41/11/29/796411129.db2.gz AFVCBDKPNLVBMO-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658973 796698021 /nfs/dbraw/zinc/69/80/21/796698021.db2.gz PUIVXSLETYDSHW-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480924 797009422 /nfs/dbraw/zinc/00/94/22/797009422.db2.gz MKDPEWYPWWDVLO-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205526420 797018117 /nfs/dbraw/zinc/01/81/17/797018117.db2.gz UJPZFIIITTZGDV-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191360841 797189798 /nfs/dbraw/zinc/18/97/98/797189798.db2.gz TYQGRQMEYXSNLZ-GOEBONIOSA-N 2 0 304.438 2.079 20 30 DEEDRP CSc1nc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1C#N ZINC001205571371 797266030 /nfs/dbraw/zinc/26/60/30/797266030.db2.gz TXTKUDKEXJNRMF-HNNXBMFYSA-N 2 0 308.426 2.328 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134229 797325007 /nfs/dbraw/zinc/32/50/07/797325007.db2.gz HVKMOFCJYCPVPB-NVXWUHKLSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)C ZINC001153864096 797413350 /nfs/dbraw/zinc/41/33/50/797413350.db2.gz ATXHXKPJAVBBHP-MSOLQXFVSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192655851 797423875 /nfs/dbraw/zinc/42/38/75/797423875.db2.gz PHEXWCLAKOXIEJ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099135 797463215 /nfs/dbraw/zinc/46/32/15/797463215.db2.gz BQFRUHDOLCWNDR-OAHLLOKOSA-N 2 0 307.482 2.099 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916919 797470160 /nfs/dbraw/zinc/47/01/60/797470160.db2.gz GTSGWJHLASMGHP-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001196059981 797997648 /nfs/dbraw/zinc/99/76/48/797997648.db2.gz BVWGQOJYLOPXPN-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCCCC[N@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC001196507833 798065293 /nfs/dbraw/zinc/06/52/93/798065293.db2.gz RGWSPEJDXUIVJR-UHFFFAOYSA-N 2 0 318.465 2.472 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001158067269 798336256 /nfs/dbraw/zinc/33/62/56/798336256.db2.gz ZHALIGHYONFMAY-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159915225 798624602 /nfs/dbraw/zinc/62/46/02/798624602.db2.gz HTYQNLXAAOEDMJ-QGZVFWFLSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160132008 798652346 /nfs/dbraw/zinc/65/23/46/798652346.db2.gz ZPIDZBLBSMCROC-ZWKOTPCHSA-N 2 0 317.477 2.185 20 30 DEEDRP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285900 798670641 /nfs/dbraw/zinc/67/06/41/798670641.db2.gz KRLLCWIGYLUFGO-GOSISDBHSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353803 798679272 /nfs/dbraw/zinc/67/92/72/798679272.db2.gz YXJHNHZFPIUFIU-SFHVURJKSA-N 2 0 319.493 2.289 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160466468 798692797 /nfs/dbraw/zinc/69/27/97/798692797.db2.gz DNHVOVIAYWGAPB-ROUUACIJSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834703 798747835 /nfs/dbraw/zinc/74/78/35/798747835.db2.gz OWCQUHSSWRZDTA-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133536 798800731 /nfs/dbraw/zinc/80/07/31/798800731.db2.gz KPZQNOOIORGULB-QGZVFWFLSA-N 2 0 307.482 2.287 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161698873 798915215 /nfs/dbraw/zinc/91/52/15/798915215.db2.gz FGPJTYIGPIYDPK-KRWDZBQOSA-N 2 0 305.466 2.043 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161698914 798915585 /nfs/dbraw/zinc/91/55/85/798915585.db2.gz FYONZEFEJHQRQA-GOSISDBHSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952013 798977444 /nfs/dbraw/zinc/97/74/44/798977444.db2.gz AKOQQFJXNPZUFP-GOSISDBHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114410137 799092998 /nfs/dbraw/zinc/09/29/98/799092998.db2.gz UEHAELKFMCXWKP-VSZNYVQBSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202526856 799106303 /nfs/dbraw/zinc/10/63/03/799106303.db2.gz RFUZCRBLIQQMLO-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114467497 799129533 /nfs/dbraw/zinc/12/95/33/799129533.db2.gz ZKZAOCULEVBCBS-XDNAFOTISA-N 2 0 321.509 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163248104 799287290 /nfs/dbraw/zinc/28/72/90/799287290.db2.gz MQWYIZWLUAXPQO-UHFFFAOYSA-N 2 0 323.868 2.253 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165728836 799766212 /nfs/dbraw/zinc/76/62/12/799766212.db2.gz VOTGYUHRFQWWHO-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP 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 799794609 /nfs/dbraw/zinc/79/46/09/799794609.db2.gz MKOSLTROAPCIJC-HZMVEIRTSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018049 799833322 /nfs/dbraw/zinc/83/33/22/799833322.db2.gz HQTFDBBZRIVWED-NCOADZHNSA-N 2 0 307.482 2.404 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793800 799951295 /nfs/dbraw/zinc/95/12/95/799951295.db2.gz ZPCQBRAXXOATKF-QGZVFWFLSA-N 2 0 319.493 2.008 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420789 800044641 /nfs/dbraw/zinc/04/46/41/800044641.db2.gz XDVYDXQMZXQFEM-GJZGRUSLSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823882 800127801 /nfs/dbraw/zinc/12/78/01/800127801.db2.gz MXTASMMTWDEDBO-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853867 800133444 /nfs/dbraw/zinc/13/34/44/800133444.db2.gz ZYCOCJQSGCOISU-IYBDPMFKSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206030709 800461293 /nfs/dbraw/zinc/46/12/93/800461293.db2.gz IDPHXCJDYXYGJY-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206620130 800565488 /nfs/dbraw/zinc/56/54/88/800565488.db2.gz LFIMKJRMCDGMHQ-ZACQAIPSSA-N 2 0 309.498 2.488 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001206947901 800638355 /nfs/dbraw/zinc/63/83/55/800638355.db2.gz NZSDIXXSKKMHAS-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435895 800750864 /nfs/dbraw/zinc/75/08/64/800750864.db2.gz NIJQTEPQQAXKDI-GOSISDBHSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207601273 800786677 /nfs/dbraw/zinc/78/66/77/800786677.db2.gz GAMJQMMZBABAIB-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209206130 801151509 /nfs/dbraw/zinc/15/15/09/801151509.db2.gz YAIDKWKZBABBND-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230355146 801391845 /nfs/dbraw/zinc/39/18/45/801391845.db2.gz SZCANQZSYHGXDE-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230378001 801395147 /nfs/dbraw/zinc/39/51/47/801395147.db2.gz HUWMHVZLJYKWEZ-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591788 801430140 /nfs/dbraw/zinc/43/01/40/801430140.db2.gz JKZMHEKTJUTAIF-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592202 801431824 /nfs/dbraw/zinc/43/18/24/801431824.db2.gz UVLYBDUQEJXALO-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210690729 801447625 /nfs/dbraw/zinc/44/76/25/801447625.db2.gz OXKLNLZAFNSUKH-OAHLLOKOSA-N 2 0 316.449 2.308 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211072664 801508311 /nfs/dbraw/zinc/50/83/11/801508311.db2.gz UPOXUMKSIWTPSO-SJORKVTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081500 801509179 /nfs/dbraw/zinc/50/91/79/801509179.db2.gz KIMRRMHKWFPRPW-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCCC)C2)CC1 ZINC001211233394 801534607 /nfs/dbraw/zinc/53/46/07/801534607.db2.gz DGPGSYSBLDXFLP-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214610875 801739792 /nfs/dbraw/zinc/73/97/92/801739792.db2.gz GXNPSKFSMXFXDW-ZACQAIPSSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001216349389 801966618 /nfs/dbraw/zinc/96/66/18/801966618.db2.gz XCRPLUICFYTPAF-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP CNc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001218981420 802269456 /nfs/dbraw/zinc/26/94/56/802269456.db2.gz RGVXUYCKKXUIQX-AWEZNQCLSA-N 2 0 317.437 2.034 20 30 DEEDRP CCCCCCC/C=C/C[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521466 802700275 /nfs/dbraw/zinc/70/02/75/802700275.db2.gz SERXUYBXSLXYSP-SGQUHAKNSA-N 2 0 319.493 2.315 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522348 802798075 /nfs/dbraw/zinc/79/80/75/802798075.db2.gz QYJYNUMYPXBWET-SJORKVTESA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001224883710 802914226 /nfs/dbraw/zinc/91/42/26/802914226.db2.gz GFVGCODMDQZTDR-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001226341496 803094494 /nfs/dbraw/zinc/09/44/94/803094494.db2.gz LGYIZTXXBKSCSE-YLFCFFPRSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]cn1 ZINC001226697575 803144485 /nfs/dbraw/zinc/14/44/85/803144485.db2.gz ZSLQWZKXSMHTTK-HZPDHXFCSA-N 2 0 304.438 2.326 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001328035142 1148704598 /nfs/dbraw/zinc/70/45/98/1148704598.db2.gz MHWMZFDTXRNVFQ-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001328738790 1148830327 /nfs/dbraw/zinc/83/03/27/1148830327.db2.gz YPUNORFEGSTSDP-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001501677235 1059628722 /nfs/dbraw/zinc/62/87/22/1059628722.db2.gz VEJCEYCAGGAQKU-HNNXBMFYSA-N 2 0 313.445 2.071 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001501681167 1059633102 /nfs/dbraw/zinc/63/31/02/1059633102.db2.gz DBVUETYWZIJQEA-OAHLLOKOSA-N 2 0 303.450 2.480 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001502124229 1059963110 /nfs/dbraw/zinc/96/31/10/1059963110.db2.gz NMKNHWYUFHLNOM-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001505442579 1060604087 /nfs/dbraw/zinc/60/40/87/1060604087.db2.gz ZCSOYQPWZNKKRW-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001479778304 1061742527 /nfs/dbraw/zinc/74/25/27/1061742527.db2.gz SAXNIWMMRWPIJY-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001479870646 1061959083 /nfs/dbraw/zinc/95/90/83/1061959083.db2.gz KLVHTYKJZKJVKO-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001479984332 1062146647 /nfs/dbraw/zinc/14/66/47/1062146647.db2.gz AJYHQUYHBQJMBZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506677786 1062269467 /nfs/dbraw/zinc/26/94/67/1062269467.db2.gz GZBHSQYFRIYVCS-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001506817027 1062405875 /nfs/dbraw/zinc/40/58/75/1062405875.db2.gz BUDFGVLORFXAON-TVFCKZIOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001480190212 1062443062 /nfs/dbraw/zinc/44/30/62/1062443062.db2.gz YIAKRDJHJSTTOD-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001506866307 1062447623 /nfs/dbraw/zinc/44/76/23/1062447623.db2.gz ULSQLFHMUJAJLW-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001480255166 1062537174 /nfs/dbraw/zinc/53/71/74/1062537174.db2.gz QRIMJTHTSTZOQY-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001507014924 1062676476 /nfs/dbraw/zinc/67/64/76/1062676476.db2.gz KKLJFBSMIZBGSS-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001507339603 1063122488 /nfs/dbraw/zinc/12/24/88/1063122488.db2.gz ODVHSNZYMYNGSY-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001507396727 1063224289 /nfs/dbraw/zinc/22/42/89/1063224289.db2.gz FAOVGQFWIAEJSN-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001508020126 1063498709 /nfs/dbraw/zinc/49/87/09/1063498709.db2.gz FNSZEDUTLBRYER-DLBZAZTESA-N 2 0 321.509 2.393 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001508162388 1063587607 /nfs/dbraw/zinc/58/76/07/1063587607.db2.gz NABVKBZEHXPJIS-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001493966860 1064047988 /nfs/dbraw/zinc/04/79/88/1064047988.db2.gz GHAZSZAXHWZVOE-ROUUACIJSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567364390 1064162853 /nfs/dbraw/zinc/16/28/53/1064162853.db2.gz FZYQJQUKNMJWOR-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001567662619 1064325362 /nfs/dbraw/zinc/32/53/62/1064325362.db2.gz BBZZGWUGHFFEDQ-SFHVURJKSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567712783 1064370210 /nfs/dbraw/zinc/37/02/10/1064370210.db2.gz QIFWPTIZNUWPMC-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567944744 1064551382 /nfs/dbraw/zinc/55/13/82/1064551382.db2.gz ACXKCMJVVBEDFU-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C[C@@H](CC)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001610977600 1078093173 /nfs/dbraw/zinc/09/31/73/1078093173.db2.gz GJIXMYASDJRPLX-IRXDYDNUSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001568121498 1064658354 /nfs/dbraw/zinc/65/83/54/1064658354.db2.gz CDKYXNIIWDMJKF-GOSISDBHSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001568126242 1064660488 /nfs/dbraw/zinc/66/04/88/1064660488.db2.gz WJSUDBMHQMBNGQ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001495264203 1064793953 /nfs/dbraw/zinc/79/39/53/1064793953.db2.gz BJHFINWWCBYRPT-FUHWJXTLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001568391741 1064830905 /nfs/dbraw/zinc/83/09/05/1064830905.db2.gz AVJCVMMOTKZJIK-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001568401786 1064839191 /nfs/dbraw/zinc/83/91/91/1064839191.db2.gz ZBWBRVRXKYZXON-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001495454948 1064918585 /nfs/dbraw/zinc/91/85/85/1064918585.db2.gz GJSKQNRUUWQZQT-QAQDUYKDSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001495488229 1064941212 /nfs/dbraw/zinc/94/12/12/1064941212.db2.gz LQRMZZGQBNWTDF-GOSISDBHSA-N 2 0 315.461 2.451 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001495538109 1064972330 /nfs/dbraw/zinc/97/23/30/1064972330.db2.gz VBKNJBJACLOACK-IBGZPJMESA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001569165709 1065332677 /nfs/dbraw/zinc/33/26/77/1065332677.db2.gz VEQUNNVELKXAGC-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496237264 1065358255 /nfs/dbraw/zinc/35/82/55/1065358255.db2.gz BDMWDJZNQMWWEA-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001496296710 1065391421 /nfs/dbraw/zinc/39/14/21/1065391421.db2.gz OYLNLZAGKBJSOR-QGZVFWFLSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001569310311 1065421770 /nfs/dbraw/zinc/42/17/70/1065421770.db2.gz ZUYRXVMEHJRHIZ-DOTOQJQBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001569425681 1065503282 /nfs/dbraw/zinc/50/32/82/1065503282.db2.gz PESPCDVACFAXPL-KRWDZBQOSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001569471152 1065526795 /nfs/dbraw/zinc/52/67/95/1065526795.db2.gz UXMUCISLMFWTDH-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001569526198 1065570047 /nfs/dbraw/zinc/57/00/47/1065570047.db2.gz HYTNYRZBHSRFDF-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001569704440 1065679616 /nfs/dbraw/zinc/67/96/16/1065679616.db2.gz NMKIPAOIYQFCQH-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569711531 1065683317 /nfs/dbraw/zinc/68/33/17/1065683317.db2.gz DWLBTAFQQUGJST-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569726653 1065693652 /nfs/dbraw/zinc/69/36/52/1065693652.db2.gz SMTYZGJZSMBORE-IBGZPJMESA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001569864846 1065775296 /nfs/dbraw/zinc/77/52/96/1065775296.db2.gz KNNRKELNXHQGEY-BZSNNMDCSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001496914787 1065800735 /nfs/dbraw/zinc/80/07/35/1065800735.db2.gz ARYPTEYRTBFGGX-QZTJIDSGSA-N 2 0 315.461 2.422 20 30 DEEDRP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570026608 1065888168 /nfs/dbraw/zinc/88/81/68/1065888168.db2.gz CVOWPASJLGBEGB-GOSISDBHSA-N 2 0 315.461 2.098 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC001626872754 1078265061 /nfs/dbraw/zinc/26/50/61/1078265061.db2.gz FHCXCOHWVODHCH-UHFFFAOYSA-N 2 0 303.450 2.003 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001570255044 1065992437 /nfs/dbraw/zinc/99/24/37/1065992437.db2.gz NRBCTJGIDPCZTN-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497677856 1066233691 /nfs/dbraw/zinc/23/36/91/1066233691.db2.gz BTBVFXAKIIAIGP-DKRLNXSXSA-N 2 0 311.445 2.037 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498488554 1066741403 /nfs/dbraw/zinc/74/14/03/1066741403.db2.gz IHIKJSKGYQJVTG-JKSUJKDBSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001498872342 1066932710 /nfs/dbraw/zinc/93/27/10/1066932710.db2.gz GCDDTZGLVBVINE-ZWKOTPCHSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001499843837 1067358259 /nfs/dbraw/zinc/35/82/59/1067358259.db2.gz JUKCWDDQLFLTMQ-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267045155 1078524371 /nfs/dbraw/zinc/52/43/71/1078524371.db2.gz NNBOKRXIMQNDRE-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267047395 1078526973 /nfs/dbraw/zinc/52/69/73/1078526973.db2.gz NDQRWETZPLTKDB-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267163863 1078628395 /nfs/dbraw/zinc/62/83/95/1078628395.db2.gz BGOFYHFUWSDXRN-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001570530204 1067987179 /nfs/dbraw/zinc/98/71/79/1067987179.db2.gz GPBOWENPBAXKTQ-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001570550705 1068000581 /nfs/dbraw/zinc/00/05/81/1068000581.db2.gz DCCFGUNGHOQASU-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267181743 1078645363 /nfs/dbraw/zinc/64/53/63/1078645363.db2.gz NBHXLRBAWRGYAT-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001570828659 1068131911 /nfs/dbraw/zinc/13/19/11/1068131911.db2.gz QGPSNZOUMGYGJX-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267216873 1078673045 /nfs/dbraw/zinc/67/30/45/1078673045.db2.gz SJBFXFCBDPXDOH-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001571639420 1068454075 /nfs/dbraw/zinc/45/40/75/1068454075.db2.gz NQZIYHFUXQXBKC-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267298177 1078744877 /nfs/dbraw/zinc/74/48/77/1078744877.db2.gz KPUPKHMEJXXMIB-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483698691 1078819010 /nfs/dbraw/zinc/81/90/10/1078819010.db2.gz UNXWIDPFFRXESC-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001272457467 1078891459 /nfs/dbraw/zinc/89/14/59/1078891459.db2.gz QKDGRRMNOJICRK-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001267492396 1078917327 /nfs/dbraw/zinc/91/73/27/1078917327.db2.gz UVXOJKZBTSOLBR-INIZCTEOSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267544332 1078973355 /nfs/dbraw/zinc/97/33/55/1078973355.db2.gz KCVREQRADKDAIF-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267568719 1079004481 /nfs/dbraw/zinc/00/44/81/1079004481.db2.gz XDAKXXYUEONHPT-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001483847927 1079149626 /nfs/dbraw/zinc/14/96/26/1079149626.db2.gz OJUVVNZKYVFKHU-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001483944089 1079200379 /nfs/dbraw/zinc/20/03/79/1079200379.db2.gz OIMIJPLTJCNKBB-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001483980598 1079223645 /nfs/dbraw/zinc/22/36/45/1079223645.db2.gz LEWLVRUJXMYNRJ-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001484000886 1079236813 /nfs/dbraw/zinc/23/68/13/1079236813.db2.gz KJZRYOGZPRQDJL-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@H+](CCC)CCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001481138821 1079244600 /nfs/dbraw/zinc/24/46/00/1079244600.db2.gz LPNDZFPZMPYPDV-UHFFFAOYSA-N 2 0 318.465 2.166 20 30 DEEDRP C=C(Cl)CN1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001484061737 1079281118 /nfs/dbraw/zinc/28/11/18/1079281118.db2.gz PCNAIWVDPNLOTM-INIZCTEOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001484124926 1079314347 /nfs/dbraw/zinc/31/43/47/1079314347.db2.gz KPBDKVHJSAIWSA-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001558769246 1075105061 /nfs/dbraw/zinc/10/50/61/1075105061.db2.gz RYLZMJATGSAPIU-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001565824637 1075189895 /nfs/dbraw/zinc/18/98/95/1075189895.db2.gz KWHVJLLEJSDEQW-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001566597910 1075292925 /nfs/dbraw/zinc/29/29/25/1075292925.db2.gz HRMVNWFKRDWDOW-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566739739 1075331143 /nfs/dbraw/zinc/33/11/43/1075331143.db2.gz IKDNOPRZKUEZQR-AEFFLSMTSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001567139595 1075441823 /nfs/dbraw/zinc/44/18/23/1075441823.db2.gz AOZIWYJUYJOFSQ-KRWDZBQOSA-N 2 0 315.461 2.028 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567155917 1075447917 /nfs/dbraw/zinc/44/79/17/1075447917.db2.gz ZZWNRNRDPUIEQY-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001267740052 1079434753 /nfs/dbraw/zinc/43/47/53/1079434753.db2.gz RPDQTAIMTRTMBN-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267790350 1079496602 /nfs/dbraw/zinc/49/66/02/1079496602.db2.gz MGPPYERITHVLCY-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP O=C1C=COC2(CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC001580839153 1076006554 /nfs/dbraw/zinc/00/65/54/1076006554.db2.gz FZBLEMOLGMUJRC-UHFFFAOYSA-N 2 0 318.442 2.232 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001267874892 1079561774 /nfs/dbraw/zinc/56/17/74/1079561774.db2.gz ZPJYEQGZNBFZFM-HKUYNNGSSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)C2 ZINC001484390216 1079579477 /nfs/dbraw/zinc/57/94/77/1079579477.db2.gz KMNFJKOBHKYBST-BJWYYQGGSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267956556 1079636205 /nfs/dbraw/zinc/63/62/05/1079636205.db2.gz JAKOTRKJJXHQMQ-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484544705 1079653202 /nfs/dbraw/zinc/65/32/02/1079653202.db2.gz ZWEXFENWPMKMIL-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001484638186 1079705084 /nfs/dbraw/zinc/70/50/84/1079705084.db2.gz HGWFINHBANTTJZ-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481439291 1079849744 /nfs/dbraw/zinc/84/97/44/1079849744.db2.gz UGLHDVCIYXADQU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481461831 1079906946 /nfs/dbraw/zinc/90/69/46/1079906946.db2.gz JOUIVLCTANNQNS-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001656653181 1080110273 /nfs/dbraw/zinc/11/02/73/1080110273.db2.gz WHOCMRUURDJGAF-BPQIPLTHSA-N 2 0 319.493 2.262 20 30 DEEDRP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001268196824 1080185810 /nfs/dbraw/zinc/18/58/10/1080185810.db2.gz FPWPGAMNSXIGDQ-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001485458669 1080227971 /nfs/dbraw/zinc/22/79/71/1080227971.db2.gz DFGSGIPYIBRQFP-IRXDYDNUSA-N 2 0 319.493 2.291 20 30 DEEDRP 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 1080350927 /nfs/dbraw/zinc/35/09/27/1080350927.db2.gz VGSUCCZDRJIQAE-ULQDDVLXSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+](C)C)C[C@@]2(C)C1 ZINC001485669638 1080358022 /nfs/dbraw/zinc/35/80/22/1080358022.db2.gz HJSZXSCYCWCAIT-HDICACEKSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485766165 1080421385 /nfs/dbraw/zinc/42/13/85/1080421385.db2.gz ANEZCSPIUQEBPL-INIZCTEOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481774272 1080489888 /nfs/dbraw/zinc/48/98/88/1080489888.db2.gz BCTKSKHSQHRKRZ-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001662113456 1080570762 /nfs/dbraw/zinc/57/07/62/1080570762.db2.gz OPSKTJGTTOKTHN-OFLPRAFFSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481982557 1080666054 /nfs/dbraw/zinc/66/60/54/1080666054.db2.gz MSASTMRAJZIQLJ-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665720326 1081070440 /nfs/dbraw/zinc/07/04/40/1081070440.db2.gz HOOINWLIXFWYLS-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001269075208 1081107146 /nfs/dbraw/zinc/10/71/46/1081107146.db2.gz JOGMALUVUHZMHT-CQSZACIVSA-N 2 0 307.463 2.094 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001666364097 1081147654 /nfs/dbraw/zinc/14/76/54/1081147654.db2.gz GFDCOUKOUJKRLI-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001666800540 1081182245 /nfs/dbraw/zinc/18/22/45/1081182245.db2.gz SVKNTCONHZMEAX-INIZCTEOSA-N 2 0 319.493 2.456 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001667029065 1081203510 /nfs/dbraw/zinc/20/35/10/1081203510.db2.gz PRHRFDYVDJFFQQ-SJLPKXTDSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001667337543 1081239094 /nfs/dbraw/zinc/23/90/94/1081239094.db2.gz DNANZHKXQRAMOZ-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001667695473 1081275251 /nfs/dbraw/zinc/27/52/51/1081275251.db2.gz XMPPZHRWFRRHHI-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001269533052 1081281149 /nfs/dbraw/zinc/28/11/49/1081281149.db2.gz NBYWFCNOYPWCAF-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)CCCC[NH+]2CCCC2)CCCC1 ZINC001269591816 1081300376 /nfs/dbraw/zinc/30/03/76/1081300376.db2.gz IVZICZYXYWQCHO-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001284600055 1081341811 /nfs/dbraw/zinc/34/18/11/1081341811.db2.gz YJFYSJRBERPMSK-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001270105025 1081451267 /nfs/dbraw/zinc/45/12/67/1081451267.db2.gz IMHUIBMXNQWNIF-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001671547795 1081522861 /nfs/dbraw/zinc/52/28/61/1081522861.db2.gz GJWIDCPFFPTWKH-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001671916196 1081550441 /nfs/dbraw/zinc/55/04/41/1081550441.db2.gz GQECUYGAMGCMPM-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001672343668 1081586663 /nfs/dbraw/zinc/58/66/63/1081586663.db2.gz WCAPJAZNLFWCCL-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672538030 1081610336 /nfs/dbraw/zinc/61/03/36/1081610336.db2.gz MMCKEDWMMSUOIC-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001673238417 1081748781 /nfs/dbraw/zinc/74/87/81/1081748781.db2.gz RFPYAVCIPIQJEX-IYBDPMFKSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001673617553 1081785374 /nfs/dbraw/zinc/78/53/74/1081785374.db2.gz KNSIZAFARXCIAA-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001482438717 1081830100 /nfs/dbraw/zinc/83/01/00/1081830100.db2.gz YUYKGMLNSJSESE-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001270911967 1081834911 /nfs/dbraw/zinc/83/49/11/1081834911.db2.gz UREGEDMZABQNHH-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001270965107 1081857290 /nfs/dbraw/zinc/85/72/90/1081857290.db2.gz AEYGEHCOSLVGPU-WMZOPIPTSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001674506642 1081885018 /nfs/dbraw/zinc/88/50/18/1081885018.db2.gz YWLPVFNHILNLDP-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266466615 1082054384 /nfs/dbraw/zinc/05/43/84/1082054384.db2.gz RQCPKVXHYHWZKK-DLBZAZTESA-N 2 0 309.498 2.319 20 30 DEEDRP C=CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001482507396 1082130658 /nfs/dbraw/zinc/13/06/58/1082130658.db2.gz BSGKGXUTAVVMNO-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001271777616 1082151987 /nfs/dbraw/zinc/15/19/87/1082151987.db2.gz UQZPPEJDVWNTPQ-QAQDUYKDSA-N 2 0 321.509 2.417 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001271954450 1082206763 /nfs/dbraw/zinc/20/67/63/1082206763.db2.gz VOLFFZQNZKWEAB-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266795645 1082349409 /nfs/dbraw/zinc/34/94/09/1082349409.db2.gz OGVZXGSDVFXCBI-INIZCTEOSA-N 2 0 324.428 2.108 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266801115 1082354377 /nfs/dbraw/zinc/35/43/77/1082354377.db2.gz JVSCLEZOUKLUQV-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266897562 1082439594 /nfs/dbraw/zinc/43/95/94/1082439594.db2.gz OCQBLZXSGCBNBJ-UHFFFAOYSA-N 2 0 309.841 2.162 20 30 DEEDRP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001272094082 1082465012 /nfs/dbraw/zinc/46/50/12/1082465012.db2.gz ZBVZDLKHTUKOBE-QGZVFWFLSA-N 2 0 309.498 2.465 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482680484 1082471354 /nfs/dbraw/zinc/47/13/54/1082471354.db2.gz AGZUSRADZBCLNS-QAPCUYQASA-N 2 0 324.428 2.154 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001276606918 1083511124 /nfs/dbraw/zinc/51/11/24/1083511124.db2.gz CYXOQGJGKQCQKZ-HZPDHXFCSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646552 1083563372 /nfs/dbraw/zinc/56/33/72/1083563372.db2.gz KDZIYCUUHBHPMT-SJLPKXTDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001276906705 1083673369 /nfs/dbraw/zinc/67/33/69/1083673369.db2.gz WJVMIXGHQUPLAU-YTQUADARSA-N 2 0 321.509 2.463 20 30 DEEDRP Cn1cc(C[N@@H+]2CCC3(CN(c4cc[nH+]cc4)C3)C2)cc1C#N ZINC001277694642 1084100143 /nfs/dbraw/zinc/10/01/43/1084100143.db2.gz SQEOLGWMMMHKSW-UHFFFAOYSA-N 2 0 307.401 2.004 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491298168 1084220283 /nfs/dbraw/zinc/22/02/83/1084220283.db2.gz UTXFLZFDEAVJQO-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001235007882 1084269694 /nfs/dbraw/zinc/26/96/94/1084269694.db2.gz RWGWPIGMVLYMQX-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001272926409 1084645992 /nfs/dbraw/zinc/64/59/92/1084645992.db2.gz JYVLOEXWYGXSSC-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486128220 1085093975 /nfs/dbraw/zinc/09/39/75/1085093975.db2.gz IYLUHEGRQCGJEF-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001486160006 1085099235 /nfs/dbraw/zinc/09/92/35/1085099235.db2.gz FDXRXFLRGMWKNT-BRWVUGGUSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C(C)(C)C ZINC001486414069 1085283911 /nfs/dbraw/zinc/28/39/11/1085283911.db2.gz UZRQNTDAESZWPA-UKRRQHHQSA-N 2 0 306.454 2.427 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001486400325 1085286515 /nfs/dbraw/zinc/28/65/15/1085286515.db2.gz VJBDQQPZXQKSIA-BZUAXINKSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001486472912 1085351744 /nfs/dbraw/zinc/35/17/44/1085351744.db2.gz XEOXSVJVJDWHTL-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001486470751 1085356717 /nfs/dbraw/zinc/35/67/17/1085356717.db2.gz FXLVTRHKRQTQBA-OFLPRAFFSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001486510006 1085393603 /nfs/dbraw/zinc/39/36/03/1085393603.db2.gz ZKZRVFGVIWDDBG-QGZVFWFLSA-N 2 0 316.449 2.405 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001486520241 1085402530 /nfs/dbraw/zinc/40/25/30/1085402530.db2.gz IVSQNRGLCBIPIR-RDJZCZTQSA-N 2 0 305.466 2.041 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001273010949 1085940077 /nfs/dbraw/zinc/94/00/77/1085940077.db2.gz XRMYFXMLZHRWBB-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC000962268546 1086045904 /nfs/dbraw/zinc/04/59/04/1086045904.db2.gz FDAJWQLOBOQJOW-XWTMOSNGSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000963366757 1086428714 /nfs/dbraw/zinc/42/87/14/1086428714.db2.gz MTQFITHVFHJYGT-DOTOQJQBSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518906 1088299348 /nfs/dbraw/zinc/29/93/48/1088299348.db2.gz SPLWDWQNHUNYEV-NCOADZHNSA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079731896 1088364791 /nfs/dbraw/zinc/36/47/91/1088364791.db2.gz MTQSJIXLAPZWCN-YYIAUSFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318247 1088815458 /nfs/dbraw/zinc/81/54/58/1088815458.db2.gz LMMNHCUHNLXQMT-NXHRZFHOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114627540 1089478751 /nfs/dbraw/zinc/47/87/51/1089478751.db2.gz XYPCJEYZHHPWRY-VQFNDLOPSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943966 1090109971 /nfs/dbraw/zinc/10/99/71/1090109971.db2.gz VOFSNUVOWAXLEQ-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422028 1090284740 /nfs/dbraw/zinc/28/47/40/1090284740.db2.gz IVGJTYGRDAJEDN-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488282 1090306830 /nfs/dbraw/zinc/30/68/30/1090306830.db2.gz UMIYHFCFCHVONF-SJLPKXTDSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001274434112 1091242963 /nfs/dbraw/zinc/24/29/63/1091242963.db2.gz BIYQYOGFXDZJHK-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001274499604 1091272332 /nfs/dbraw/zinc/27/23/32/1091272332.db2.gz WGFWGVSLLLSANU-YJQVQVLHSA-N 2 0 313.873 2.121 20 30 DEEDRP C=CCCCCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276042087 1091472815 /nfs/dbraw/zinc/47/28/15/1091472815.db2.gz VYCFVLBTHFFGRF-HDICACEKSA-N 2 0 309.498 2.070 20 30 DEEDRP C=CCN(CC[NH+]1CCC2(CCC[N@H+](C)C2)CC1)C(=O)OCC ZINC001274926526 1091476091 /nfs/dbraw/zinc/47/60/91/1091476091.db2.gz BGZHNLYWGCLWPW-UHFFFAOYSA-N 2 0 323.481 2.439 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001275268261 1091645520 /nfs/dbraw/zinc/64/55/20/1091645520.db2.gz IAGMDMDKIASOJB-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001275566092 1091868212 /nfs/dbraw/zinc/86/82/12/1091868212.db2.gz LQMXYHHCWHNJBU-ZDUSSCGKSA-N 2 0 309.479 2.436 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542267 1091959279 /nfs/dbraw/zinc/95/92/79/1091959279.db2.gz FWOKOTYBJHMJCV-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829402 1091960064 /nfs/dbraw/zinc/96/00/64/1091960064.db2.gz MMVPTXHADPJNEK-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001273802411 1092063918 /nfs/dbraw/zinc/06/39/18/1092063918.db2.gz XWVJNQRXYBOGCJ-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001493125945 1092301870 /nfs/dbraw/zinc/30/18/70/1092301870.db2.gz WXIIXZDBLGWZFG-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490455364 1093392582 /nfs/dbraw/zinc/39/25/82/1093392582.db2.gz YJVKQIDNHCYUDH-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001490598320 1093437293 /nfs/dbraw/zinc/43/72/93/1093437293.db2.gz ISGVUTLVDBWCDR-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001278007994 1138420605 /nfs/dbraw/zinc/42/06/05/1138420605.db2.gz ZEKDPNSJNGAKKG-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C[NH+](C)CCN(Cc1c(Cl)cccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC001236931022 1138459758 /nfs/dbraw/zinc/45/97/58/1138459758.db2.gz CKXZTDOTKCVXGQ-OAHLLOKOSA-N 2 0 320.868 2.327 20 30 DEEDRP C#CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236941473 1138461549 /nfs/dbraw/zinc/46/15/49/1138461549.db2.gz BQYRPKAQZKRHQR-UHFFFAOYSA-N 2 0 315.436 2.423 20 30 DEEDRP C[C@@H]1CNCC(F)(F)[C@H]1CN1CC(Oc2ccccc2C#N)C1 ZINC001237179863 1138518594 /nfs/dbraw/zinc/51/85/94/1138518594.db2.gz LYUUHELZJBYQDC-DOMZBBRYSA-N 2 0 321.371 2.112 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001278093832 1138612503 /nfs/dbraw/zinc/61/25/03/1138612503.db2.gz AXGIABYEDDTTBU-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001278184671 1138820186 /nfs/dbraw/zinc/82/01/86/1138820186.db2.gz PZTOWUGIAGAWJW-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316667859 1140252558 /nfs/dbraw/zinc/25/25/58/1140252558.db2.gz ARCGBBOMDIWNOW-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001318915486 1140463196 /nfs/dbraw/zinc/46/31/96/1140463196.db2.gz RWMOSRZTWDVZDO-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001319038818 1140494345 /nfs/dbraw/zinc/49/43/45/1140494345.db2.gz ULKNKXVPZAKDJW-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001319261079 1140537396 /nfs/dbraw/zinc/53/73/96/1140537396.db2.gz ICXMJBYOAUJCMT-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C)CC1 ZINC001319588932 1140620859 /nfs/dbraw/zinc/62/08/59/1140620859.db2.gz GPZXCAIZSRRSMY-MRXNPFEDSA-N 2 0 321.509 2.204 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246023346 1140847883 /nfs/dbraw/zinc/84/78/83/1140847883.db2.gz PLLVKXQGHIBWLA-IRXDYDNUSA-N 2 0 300.487 2.274 20 30 DEEDRP C=CCO[C@@H]1CC[NH+]([C@@H](C)CC[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320899694 1140979569 /nfs/dbraw/zinc/97/95/69/1140979569.db2.gz VDQFGWBAGHPHFF-RCCFBDPRSA-N 2 0 308.466 2.319 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH2+]CC1)[C@@H]2CC ZINC001246752223 1141049760 /nfs/dbraw/zinc/04/97/60/1141049760.db2.gz GELBJEZUCDZMRK-AEFFLSMTSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001321906335 1141363897 /nfs/dbraw/zinc/36/38/97/1141363897.db2.gz GASBLOKPYUTFGN-ZDUSSCGKSA-N 2 0 300.406 2.317 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001323568759 1141865849 /nfs/dbraw/zinc/86/58/49/1141865849.db2.gz WQTKKYWUJRILKG-INIZCTEOSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001323638192 1141872518 /nfs/dbraw/zinc/87/25/18/1141872518.db2.gz PELLZBXXNGIPFP-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278602207 1142321897 /nfs/dbraw/zinc/32/18/97/1142321897.db2.gz PDZGVFWFOITMIC-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001278632485 1142395281 /nfs/dbraw/zinc/39/52/81/1142395281.db2.gz QKAINDSNQUFASG-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001340626171 1143385041 /nfs/dbraw/zinc/38/50/41/1143385041.db2.gz FGNXULXSEGDVMT-IXDOHACOSA-N 2 0 319.424 2.071 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCN(C)CC1)C2 ZINC001256203038 1143834997 /nfs/dbraw/zinc/83/49/97/1143834997.db2.gz BXFLPYKKWODIGW-GOSISDBHSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279047322 1143953897 /nfs/dbraw/zinc/95/38/97/1143953897.db2.gz WFSDUQLTRQRSPI-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC001263093434 1144355202 /nfs/dbraw/zinc/35/52/02/1144355202.db2.gz AQHGZKVMIZBWHX-HNNXBMFYSA-N 2 0 319.453 2.162 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001263918035 1144423519 /nfs/dbraw/zinc/42/35/19/1144423519.db2.gz NLXKVFIZHREDLA-DOTOQJQBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001264174264 1144496000 /nfs/dbraw/zinc/49/60/00/1144496000.db2.gz YKMZAAHNGSQUFB-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001264408550 1144531870 /nfs/dbraw/zinc/53/18/70/1144531870.db2.gz LNKUVSGCRQBEAX-MWDXBVQZSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001264484352 1144545654 /nfs/dbraw/zinc/54/56/54/1144545654.db2.gz OVGWYIKOXGZFQC-FUHWJXTLSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001264496755 1144548218 /nfs/dbraw/zinc/54/82/18/1144548218.db2.gz ADYMCBPCLDFPBS-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001264518027 1144555993 /nfs/dbraw/zinc/55/59/93/1144555993.db2.gz NVTKITACLZXLIW-DLBZAZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001264518030 1144556168 /nfs/dbraw/zinc/55/61/68/1144556168.db2.gz NVTKITACLZXLIW-SJORKVTESA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001264679297 1144591662 /nfs/dbraw/zinc/59/16/62/1144591662.db2.gz BIAAAROMELNLRT-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP CC[C@H](CC#N)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390911377 1144613539 /nfs/dbraw/zinc/61/35/39/1144613539.db2.gz XECWCKJUXGADMJ-GOSISDBHSA-N 2 0 300.450 2.086 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265333689 1144695090 /nfs/dbraw/zinc/69/50/90/1144695090.db2.gz BMLNRJIAOLPROC-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001265372385 1144699348 /nfs/dbraw/zinc/69/93/48/1144699348.db2.gz ICWSKGGCUQKOCX-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265448095 1144704629 /nfs/dbraw/zinc/70/46/29/1144704629.db2.gz JMJAVFDAISXSTB-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001265526387 1144709208 /nfs/dbraw/zinc/70/92/08/1144709208.db2.gz ZNQZZEIGRCYCGS-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001265644845 1144721494 /nfs/dbraw/zinc/72/14/94/1144721494.db2.gz CMFMFRMOXUFHGD-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001265655786 1144723193 /nfs/dbraw/zinc/72/31/93/1144723193.db2.gz OYBVTXTZTKOGRX-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001265658254 1144723726 /nfs/dbraw/zinc/72/37/26/1144723726.db2.gz VDSQAPGMMJWDKG-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265656106 1144723960 /nfs/dbraw/zinc/72/39/60/1144723960.db2.gz WKPHSAOHMDBCCR-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265696629 1144730058 /nfs/dbraw/zinc/73/00/58/1144730058.db2.gz JGDULFMPUSUUAJ-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266144618 1144809442 /nfs/dbraw/zinc/80/94/42/1144809442.db2.gz WNIKYQYNJZDHJQ-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266144620 1144809444 /nfs/dbraw/zinc/80/94/44/1144809444.db2.gz WNIKYQYNJZDHJQ-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001281742943 1144912006 /nfs/dbraw/zinc/91/20/06/1144912006.db2.gz IXFMSEPRXIZJPZ-WMZOPIPTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH+](CC)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001281844957 1144916441 /nfs/dbraw/zinc/91/64/41/1144916441.db2.gz HVLXALIQCBMPLN-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001281931969 1144920694 /nfs/dbraw/zinc/92/06/94/1144920694.db2.gz HEZYXBVAWFGNBY-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001282042789 1144934058 /nfs/dbraw/zinc/93/40/58/1144934058.db2.gz YLPPOTHWCLAMRJ-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001283332327 1145366122 /nfs/dbraw/zinc/36/61/22/1145366122.db2.gz XMJTTXCYCDNEOM-GOSISDBHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001284072077 1145786116 /nfs/dbraw/zinc/78/61/16/1145786116.db2.gz PFKCPTNLVZXVBB-AEFFLSMTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001316633782 1145880704 /nfs/dbraw/zinc/88/07/04/1145880704.db2.gz RTRXZMUSTMXTBQ-XSLAGTTESA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001284819051 1145925694 /nfs/dbraw/zinc/92/56/94/1145925694.db2.gz RDDAHQZFHAPYBV-DAWZGUTISA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001284949138 1145989223 /nfs/dbraw/zinc/98/92/23/1145989223.db2.gz QBYRASNLJZDYDQ-MRXNPFEDSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491809131 1146928247 /nfs/dbraw/zinc/92/82/47/1146928247.db2.gz RSYXWNFOTBXVIK-CQSZACIVSA-N 2 0 321.490 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366424576 1147264647 /nfs/dbraw/zinc/26/46/47/1147264647.db2.gz HBUJSMDOMTXXJF-KGLIPLIRSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001317503478 1147535509 /nfs/dbraw/zinc/53/55/09/1147535509.db2.gz NXOYPGGZGYIDFT-OAHLLOKOSA-N 2 0 304.438 2.083 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741972 1147551564 /nfs/dbraw/zinc/55/15/64/1147551564.db2.gz CVEXVDSFLFQBFH-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001316699854 1147565614 /nfs/dbraw/zinc/56/56/14/1147565614.db2.gz KJTWZZKTBNVDRA-SQNIBIBYSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001316773748 1147577872 /nfs/dbraw/zinc/57/78/72/1147577872.db2.gz PAMBBKTXDDJKNQ-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001316772499 1147577932 /nfs/dbraw/zinc/57/79/32/1147577932.db2.gz OUCROHQNPFXGTF-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317064088 1147582707 /nfs/dbraw/zinc/58/27/07/1147582707.db2.gz NVOWFTAQPSOXJB-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001316802876 1147601851 /nfs/dbraw/zinc/60/18/51/1147601851.db2.gz RQIWGUTXDLAIPR-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001317048106 1147653020 /nfs/dbraw/zinc/65/30/20/1147653020.db2.gz FGQJOYIWGSCLRH-IXDOHACOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001367227138 1147666464 /nfs/dbraw/zinc/66/64/64/1147666464.db2.gz XVIQPRSULCDMEN-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367277313 1147673079 /nfs/dbraw/zinc/67/30/79/1147673079.db2.gz OWGBIRBQMIJNRE-ZFWWWQNUSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317201947 1147675489 /nfs/dbraw/zinc/67/54/89/1147675489.db2.gz DPQROPZZXKZDNU-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317201946 1147675714 /nfs/dbraw/zinc/67/57/14/1147675714.db2.gz DPQROPZZXKZDNU-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317363901 1147696419 /nfs/dbraw/zinc/69/64/19/1147696419.db2.gz QELSLKJRQJDSQT-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317509296 1147717937 /nfs/dbraw/zinc/71/79/37/1147717937.db2.gz HTUVVFBDEVIOQJ-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001324739179 1147838229 /nfs/dbraw/zinc/83/82/29/1147838229.db2.gz WXPVTUTVCQSEEN-KRWDZBQOSA-N 2 0 304.438 2.137 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001324864990 1147854411 /nfs/dbraw/zinc/85/44/11/1147854411.db2.gz XPIOUTBUESEUTN-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001326481625 1148110627 /nfs/dbraw/zinc/11/06/27/1148110627.db2.gz UDVRCRXMQOLQRS-OAHLLOKOSA-N 2 0 315.461 2.481 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001368101037 1148224922 /nfs/dbraw/zinc/22/49/22/1148224922.db2.gz DVXFVDOUPODUPZ-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)CN1CCC[C@](C)(CNC(=O)Cn2cncc2C)C1 ZINC001368223476 1148341072 /nfs/dbraw/zinc/34/10/72/1148341072.db2.gz GIDMVDBBWBTSSA-MRXNPFEDSA-N 2 0 324.856 2.162 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687373 355444067 /nfs/dbraw/zinc/44/40/67/355444067.db2.gz WDNMEJZHHHJJGL-WBVHZDCISA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687374 355444113 /nfs/dbraw/zinc/44/41/13/355444113.db2.gz WDNMEJZHHHJJGL-RDJZCZTQSA-N 2 0 305.466 2.018 20 30 DEEDRP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000083032479 355462414 /nfs/dbraw/zinc/46/24/14/355462414.db2.gz CDZFSVOUVJYTJQ-GDBMZVCRSA-N 2 0 316.449 2.146 20 30 DEEDRP C[C@H](CCC#N)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000602451870 360380002 /nfs/dbraw/zinc/38/00/02/360380002.db2.gz BJBTUJWCEMIXDX-KURKYZTESA-N 2 0 306.498 2.417 20 30 DEEDRP CC[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000104166868 402199485 /nfs/dbraw/zinc/19/94/85/402199485.db2.gz OFCFGEZKFLAZFS-CQSZACIVSA-N 2 0 320.437 2.305 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC000104160398 402199612 /nfs/dbraw/zinc/19/96/12/402199612.db2.gz BUTUJTPTYHVZFJ-AWEZNQCLSA-N 2 0 322.453 2.407 20 30 DEEDRP CN(C)C(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000178570250 402512734 /nfs/dbraw/zinc/51/27/34/402512734.db2.gz UBLAZMRFJWAPKE-UHFFFAOYSA-N 2 0 308.857 2.428 20 30 DEEDRP C=CCN(Cc1cccs1)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000346315510 403584426 /nfs/dbraw/zinc/58/44/26/403584426.db2.gz SRFQRNYRLYCAGW-HNNXBMFYSA-N 2 0 321.490 2.289 20 30 DEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346847613 403605571 /nfs/dbraw/zinc/60/55/71/403605571.db2.gz DJDRWVYJVZQQFJ-HRCADAONSA-N 2 0 302.418 2.429 20 30 DEEDRP C[NH+](C)Cc1ccc(C(N)=NOCCC[NH+]2CCCCC2)cc1 ZINC000288457577 403754825 /nfs/dbraw/zinc/75/48/25/403754825.db2.gz GCQGIPXDALWJJO-UHFFFAOYSA-N 2 0 318.465 2.261 20 30 DEEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304492096 403794312 /nfs/dbraw/zinc/79/43/12/403794312.db2.gz MENLRYGXEGKXAA-HIFRSBDPSA-N 2 0 304.438 2.145 20 30 DEEDRP CCCC(N)=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289405499 403947310 /nfs/dbraw/zinc/94/73/10/403947310.db2.gz ORPAJPLCIWWKFQ-MRXNPFEDSA-N 2 0 305.422 2.366 20 30 DEEDRP C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290096986 404039094 /nfs/dbraw/zinc/03/90/94/404039094.db2.gz WISTXTWGMFPGEZ-KRWDZBQOSA-N 2 0 304.434 2.138 20 30 DEEDRP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371302774 404455452 /nfs/dbraw/zinc/45/54/52/404455452.db2.gz ARMXNWFVEUGVAJ-LJQANCHMSA-N 2 0 312.461 2.159 20 30 DEEDRP CC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000330217390 404589531 /nfs/dbraw/zinc/58/95/31/404589531.db2.gz NVQFYNMCYZOPSR-INIZCTEOSA-N 2 0 319.453 2.054 20 30 DEEDRP C[NH+]1CCC(O)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000330159175 404568757 /nfs/dbraw/zinc/56/87/57/404568757.db2.gz QSFUTOLPNVWIHB-HNNXBMFYSA-N 2 0 323.481 2.054 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000358795930 404775809 /nfs/dbraw/zinc/77/58/09/404775809.db2.gz MZORABPXINJZHG-UHFFFAOYSA-N 2 0 322.497 2.056 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000424129992 405017008 /nfs/dbraw/zinc/01/70/08/405017008.db2.gz DUVORUMPKNOXNH-UONOGXRCSA-N 2 0 320.462 2.022 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416151754 405037966 /nfs/dbraw/zinc/03/79/66/405037966.db2.gz SEERNUAVDBSKLX-GOSISDBHSA-N 2 0 315.461 2.446 20 30 DEEDRP CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(C#N)cc1Cl ZINC000439436477 405278630 /nfs/dbraw/zinc/27/86/30/405278630.db2.gz HPCDHKZJNAUMIT-UHFFFAOYSA-N 2 0 320.868 2.281 20 30 DEEDRP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000568499892 292344782 /nfs/dbraw/zinc/34/47/82/292344782.db2.gz VBUIEFZDFHHHGG-LYAPFXNSSA-N 2 0 314.433 2.373 20 30 DEEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531841725 406014263 /nfs/dbraw/zinc/01/42/63/406014263.db2.gz CLOYWYBCMMJREK-MRXNPFEDSA-N 2 0 322.497 2.047 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc(C#N)cs2)CC1 ZINC000533583814 406156531 /nfs/dbraw/zinc/15/65/31/406156531.db2.gz LIYUARZOESOCRQ-UHFFFAOYSA-N 2 0 313.430 2.379 20 30 DEEDRP COC1CC[NH+](C2(CNC(=[NH2+])NC(C)(C)C)CCCC2)CC1 ZINC000262509976 225275441 /nfs/dbraw/zinc/27/54/41/225275441.db2.gz CSAIIBHZLJOVHH-UHFFFAOYSA-N 2 0 310.486 2.113 20 30 DEEDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422984959 230306375 /nfs/dbraw/zinc/30/63/75/230306375.db2.gz BSZQHUOHLQVDNV-JQFCIGGWSA-N 2 0 319.474 2.133 20 30 DEEDRP C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000665392978 425561543 /nfs/dbraw/zinc/56/15/43/425561543.db2.gz KOMUOEBNVQSAQC-IAGOWNOFSA-N 2 0 324.513 2.256 20 30 DEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252774 425601615 /nfs/dbraw/zinc/60/16/15/425601615.db2.gz OOQQZZYVVGLUBE-KRWDZBQOSA-N 2 0 302.418 2.204 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(CC)CCC[NH+](CC)CC)CC1 ZINC000349732207 277857449 /nfs/dbraw/zinc/85/74/49/277857449.db2.gz FMGUPVARGHJQNS-UHFFFAOYSA-N 2 0 324.513 2.400 20 30 DEEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001378191290 1152204212 /nfs/dbraw/zinc/20/42/12/1152204212.db2.gz SVSVCUKDYDFVGX-AWEZNQCLSA-N 2 0 301.862 2.004 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001329846923 1149003253 /nfs/dbraw/zinc/00/32/53/1149003253.db2.gz YDUKUUOKGUJDFZ-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1ccnc1C ZINC001329953597 1149021732 /nfs/dbraw/zinc/02/17/32/1149021732.db2.gz ONFRYVCUMDJVDT-INIZCTEOSA-N 2 0 304.438 2.128 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955195 1149023255 /nfs/dbraw/zinc/02/32/55/1149023255.db2.gz ZPVIRMGAWGIRPT-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001401707377 1162085485 /nfs/dbraw/zinc/08/54/85/1162085485.db2.gz ZXCKXXCWLORFHC-KBPBESRZSA-N 2 0 301.862 2.096 20 30 DEEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000159991816 525748521 /nfs/dbraw/zinc/74/85/21/525748521.db2.gz VNDRVWAPJLYTRO-AWEZNQCLSA-N 2 0 319.424 2.222 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)C2CC[NH2+]CC2)CC1 ZINC000417541772 526583500 /nfs/dbraw/zinc/58/35/00/526583500.db2.gz ROKFKBLKAKSAHN-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)C(C)C ZINC000417072230 527645516 /nfs/dbraw/zinc/64/55/16/527645516.db2.gz XAWQUCJVPLLTNU-IRXDYDNUSA-N 2 0 322.497 2.078 20 30 DEEDRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)CCC#N)CC[NH2+]CC1 ZINC000423134150 528606723 /nfs/dbraw/zinc/60/67/23/528606723.db2.gz WTTIHVRTIYNITK-CQSZACIVSA-N 2 0 309.454 2.227 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCc2ccccc21 ZINC000263245627 528811581 /nfs/dbraw/zinc/81/15/81/528811581.db2.gz MTAWWFIIWFEWKX-HNNXBMFYSA-N 2 0 300.450 2.356 20 30 DEEDRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000336857526 528991909 /nfs/dbraw/zinc/99/19/09/528991909.db2.gz STMGHHXLZXPHAK-UHFFFAOYSA-N 2 0 306.498 2.417 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000263123957 529073526 /nfs/dbraw/zinc/07/35/26/529073526.db2.gz MIAUENJAJRMVRT-ZIAGYGMSSA-N 2 0 318.490 2.265 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000264095025 529176160 /nfs/dbraw/zinc/17/61/60/529176160.db2.gz LVEQVJUXOFPKRH-GJZGRUSLSA-N 2 0 318.465 2.475 20 30 DEEDRP CC(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CC[NH+](C)CC1 ZINC000449073954 535016680 /nfs/dbraw/zinc/01/66/80/535016680.db2.gz JXMZXOSHURSXBL-ADKAHSJRSA-N 2 0 306.498 2.320 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023555652 625324783 /nfs/dbraw/zinc/32/47/83/625324783.db2.gz ZIXWVAQGFMSWCJ-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472423 625466245 /nfs/dbraw/zinc/46/62/45/625466245.db2.gz QEFYINSZPDLCLL-HOCLYGCPSA-N 2 0 312.417 2.351 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486950 625478631 /nfs/dbraw/zinc/47/86/31/625478631.db2.gz YOFLHRCVBGMBPU-HOTGVXAUSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704401 625482826 /nfs/dbraw/zinc/48/28/26/625482826.db2.gz QTNVHDJAKMKTJK-IEBWSBKVSA-N 2 0 315.461 2.182 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025523271 625499798 /nfs/dbraw/zinc/49/97/98/625499798.db2.gz LCIMEGUMFNENEU-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001026549230 625514774 /nfs/dbraw/zinc/51/47/74/625514774.db2.gz DRUUSIOFEYVQQR-JUVOFCAFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020500025 622743059 /nfs/dbraw/zinc/74/30/59/622743059.db2.gz LPFZXSFOSHZWSO-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970177589 623281606 /nfs/dbraw/zinc/28/16/06/623281606.db2.gz YZTRQNMLDQHCLW-HUUCEWRRSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506451 624927101 /nfs/dbraw/zinc/92/71/01/624927101.db2.gz QFUDRPGRWNPUKV-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP 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 625151334 /nfs/dbraw/zinc/15/13/34/625151334.db2.gz SCLAPGMCFISDJK-IGKNDFSCSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342020 625220961 /nfs/dbraw/zinc/22/09/61/625220961.db2.gz CWPQEBWWXNWJHT-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001023402664 625255079 /nfs/dbraw/zinc/25/50/79/625255079.db2.gz QKUAZRXWHVUIGN-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695391 634450744 /nfs/dbraw/zinc/45/07/44/634450744.db2.gz SQMUPECFMRKVGN-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCN1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462181 625789026 /nfs/dbraw/zinc/78/90/26/625789026.db2.gz PGDNOXBXVSJKTH-OAHLLOKOSA-N 2 0 319.474 2.027 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024524250 625837456 /nfs/dbraw/zinc/83/74/56/625837456.db2.gz UNLKRZBCRDQYQL-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521152 625841603 /nfs/dbraw/zinc/84/16/03/625841603.db2.gz PJAMGFKPORXIKM-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024620427 625938777 /nfs/dbraw/zinc/93/87/77/625938777.db2.gz UNQHZVZADRLDKH-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995911908 633142354 /nfs/dbraw/zinc/14/23/54/633142354.db2.gz BQFPGYBFHYQPMT-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C(C)(C)C1 ZINC000974581124 633162082 /nfs/dbraw/zinc/16/20/82/633162082.db2.gz FEFKAMLHUSUGPQ-MRXNPFEDSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996479075 633265213 /nfs/dbraw/zinc/26/52/13/633265213.db2.gz VMVWATQYMGOXTK-NVXWUHKLSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1(C)C ZINC000996507586 633269316 /nfs/dbraw/zinc/26/93/16/633269316.db2.gz QFKXUMCZNDGXGV-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974762515 633295899 /nfs/dbraw/zinc/29/58/99/633295899.db2.gz ZTVRPSMOKBKNRO-JKSUJKDBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996855090 633464847 /nfs/dbraw/zinc/46/48/47/633464847.db2.gz FJIVPJLURGUPSZ-KRWDZBQOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000997631104 633904855 /nfs/dbraw/zinc/90/48/55/633904855.db2.gz RXJUSFFBZSDTSR-NUEKZKHPSA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001000334880 635145726 /nfs/dbraw/zinc/14/57/26/635145726.db2.gz IBAZFMHCXMIYJN-ZIAGYGMSSA-N 2 0 310.829 2.167 20 30 DEEDRP C#CCC[N@H+]1CC=C(CNC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001000685894 635265302 /nfs/dbraw/zinc/26/53/02/635265302.db2.gz NBMMNIIKYFNBTR-UHFFFAOYSA-N 2 0 322.412 2.028 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001000671467 635272571 /nfs/dbraw/zinc/27/25/71/635272571.db2.gz HIQFTLPYPQGKCC-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981166007 635346119 /nfs/dbraw/zinc/34/61/19/635346119.db2.gz IPQZYVSTVSGFHD-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001001472654 635504780 /nfs/dbraw/zinc/50/47/80/635504780.db2.gz UDUGUBRFTIFBGD-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001521956 635521023 /nfs/dbraw/zinc/52/10/23/635521023.db2.gz LAMLUOQZKGQUJY-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981825487 635671587 /nfs/dbraw/zinc/67/15/87/635671587.db2.gz HAGCYEGUXMWZSN-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981894032 635715173 /nfs/dbraw/zinc/71/51/73/635715173.db2.gz XRCLGDYTDLYFJG-UHFFFAOYSA-N 2 0 310.401 2.058 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181642 635782853 /nfs/dbraw/zinc/78/28/53/635782853.db2.gz XGEXCWUPSQUHCQ-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002809513 635802024 /nfs/dbraw/zinc/80/20/24/635802024.db2.gz HFQLATMOUWSWQS-WBVHZDCISA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081726 635863231 /nfs/dbraw/zinc/86/32/31/635863231.db2.gz XUNFAOHGAYCAMR-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116070 635874800 /nfs/dbraw/zinc/87/48/00/635874800.db2.gz FHRGCOPTJDLWSJ-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001004375750 636403571 /nfs/dbraw/zinc/40/35/71/636403571.db2.gz SKGWIZZQONCFIF-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594444 636463786 /nfs/dbraw/zinc/46/37/86/636463786.db2.gz GZOHPFMJBIBSPH-DOTOQJQBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946616121 636465151 /nfs/dbraw/zinc/46/51/51/636465151.db2.gz WJMGEAVXXKOVTM-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004521861 636475523 /nfs/dbraw/zinc/47/55/23/636475523.db2.gz GXQVVKIMCXVIMO-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644452 636525732 /nfs/dbraw/zinc/52/57/32/636525732.db2.gz CTVCNKXYNYSPOV-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779191 636646701 /nfs/dbraw/zinc/64/67/01/636646701.db2.gz JJVVVGGKSNIHFQ-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784231 636650841 /nfs/dbraw/zinc/65/08/41/636650841.db2.gz DNQKWQFNXRZENB-KSZLIROESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709579 636654850 /nfs/dbraw/zinc/65/48/50/636654850.db2.gz BGBCEZCYKODBHJ-INIZCTEOSA-N 2 0 315.461 2.028 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503204 636753152 /nfs/dbraw/zinc/75/31/52/636753152.db2.gz IUPLPZJZQKWHPG-KRWDZBQOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029003027 636944283 /nfs/dbraw/zinc/94/42/83/636944283.db2.gz GYVOYWVMZHAWCH-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309009 637109251 /nfs/dbraw/zinc/10/92/51/637109251.db2.gz HYSWGFODKLJJSL-KRWDZBQOSA-N 2 0 302.418 2.062 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000923358474 637132803 /nfs/dbraw/zinc/13/28/03/637132803.db2.gz HMELWKOEDXBJNZ-IPMKNSEASA-N 2 0 313.445 2.303 20 30 DEEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000923497346 637213958 /nfs/dbraw/zinc/21/39/58/637213958.db2.gz DRNYAVFNNZEIRO-CJNGLKHVSA-N 2 0 303.450 2.390 20 30 DEEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccsc3C#N)CC2)CC1 ZINC000895321555 637925178 /nfs/dbraw/zinc/92/51/78/637925178.db2.gz VQMUEIXZXHVSFQ-UHFFFAOYSA-N 2 0 304.463 2.084 20 30 DEEDRP C[NH+]1CCC(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)CC1 ZINC000895395087 637998544 /nfs/dbraw/zinc/99/85/44/637998544.db2.gz HBWZOINDPHNKOF-UHFFFAOYSA-N 2 0 313.445 2.495 20 30 DEEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000895841153 638220715 /nfs/dbraw/zinc/22/07/15/638220715.db2.gz DRPDSBLRHFQBHO-UHFFFAOYSA-N 2 0 316.424 2.161 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000747404376 638434686 /nfs/dbraw/zinc/43/46/86/638434686.db2.gz JEPPZULSJMUXND-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP N#Cc1csc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000748099122 638509317 /nfs/dbraw/zinc/50/93/17/638509317.db2.gz FJEMGCZEMQFAPT-HNNXBMFYSA-N 2 0 305.447 2.353 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985750509 639614800 /nfs/dbraw/zinc/61/48/00/639614800.db2.gz GNHFEWVKEURRND-WBVHZDCISA-N 2 0 307.482 2.216 20 30 DEEDRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000263096535 640032682 /nfs/dbraw/zinc/03/26/82/640032682.db2.gz JLGWQGIFXLDGPI-GOEBONIOSA-N 2 0 316.449 2.146 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989078549 640718850 /nfs/dbraw/zinc/71/88/50/640718850.db2.gz VGACQHMMDBFTKO-UKRRQHHQSA-N 2 0 312.417 2.411 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989737543 641215663 /nfs/dbraw/zinc/21/56/63/641215663.db2.gz SEYCYSHDFJVYRD-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000900219301 642294016 /nfs/dbraw/zinc/29/40/16/642294016.db2.gz SKIIWFDOVMOGMU-HZPDHXFCSA-N 2 0 309.498 2.369 20 30 DEEDRP C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(C#N)ccn1 ZINC000902801607 643141990 /nfs/dbraw/zinc/14/19/90/643141990.db2.gz CBASVDJVHMENMR-RHSMWYFYSA-N 2 0 314.433 2.247 20 30 DEEDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902871365 643166174 /nfs/dbraw/zinc/16/61/74/643166174.db2.gz MYAMRENZORUWFO-OWCLPIDISA-N 2 0 316.449 2.493 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(NC[C@H]([NH3+])CC(F)F)CC2)c1 ZINC000903932021 643513319 /nfs/dbraw/zinc/51/33/19/643513319.db2.gz LEIQQAMXXIPSNS-OAHLLOKOSA-N 2 0 322.403 2.095 20 30 DEEDRP N#Cc1sccc1N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903933469 643513964 /nfs/dbraw/zinc/51/39/64/643513964.db2.gz RWHLJPHGWRZMGF-GOOCMWNKSA-N 2 0 316.474 2.272 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000913724539 647018697 /nfs/dbraw/zinc/01/86/97/647018697.db2.gz KLHPYLFRZBTVRV-SFHVURJKSA-N 2 0 315.461 2.193 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947883136 648589142 /nfs/dbraw/zinc/58/91/42/648589142.db2.gz YYFIFVAKDXTQFH-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624476 648908149 /nfs/dbraw/zinc/90/81/49/648908149.db2.gz HYSRXANWKCBPTO-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842949 648955173 /nfs/dbraw/zinc/95/51/73/648955173.db2.gz TUSKXVQCAWHMLT-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940864640 648957438 /nfs/dbraw/zinc/95/74/38/648957438.db2.gz LPSYVXSJMVLENL-INIZCTEOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941031572 648989638 /nfs/dbraw/zinc/98/96/38/648989638.db2.gz ASHRQTKEWBGJOZ-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203331 649183197 /nfs/dbraw/zinc/18/31/97/649183197.db2.gz GXUCUBSYSZOGKB-KDOFPFPSSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942287596 649200541 /nfs/dbraw/zinc/20/05/41/649200541.db2.gz LPSDFCWXRMAKLE-PBHICJAKSA-N 2 0 312.417 2.351 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000848996581 651575860 /nfs/dbraw/zinc/57/58/60/651575860.db2.gz HHYKHWPBXIGPQM-INIZCTEOSA-N 2 0 300.450 2.226 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001394513920 1158602606 /nfs/dbraw/zinc/60/26/06/1158602606.db2.gz BGBGWRITJDEIET-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])NCC(C)C ZINC000104165883 684058696 /nfs/dbraw/zinc/05/86/96/684058696.db2.gz ZOHDMUGZRIJZFD-UHFFFAOYSA-N 2 0 320.481 2.468 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054146416 693862441 /nfs/dbraw/zinc/86/24/41/693862441.db2.gz DAGYPKXPXRVVDJ-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054228558 693891198 /nfs/dbraw/zinc/89/11/98/693891198.db2.gz SWKXYUFTHNSBRB-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[NH+](C)C)c1 ZINC000303724503 685233490 /nfs/dbraw/zinc/23/34/90/685233490.db2.gz ZSEPQDBGANSRAT-UHFFFAOYSA-N 2 0 308.426 2.162 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000303869690 685236724 /nfs/dbraw/zinc/23/67/24/685236724.db2.gz BAGCINWLYFLMKK-INIZCTEOSA-N 2 0 317.481 2.056 20 30 DEEDRP CC[C@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)[NH+]1CCCC1 ZINC000303886573 685237874 /nfs/dbraw/zinc/23/78/74/685237874.db2.gz KFTXFAVIJATYOQ-CYBMUJFWSA-N 2 0 320.437 2.305 20 30 DEEDRP N#CC1(C[C@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000863551975 686520002 /nfs/dbraw/zinc/52/00/02/686520002.db2.gz NZPQKJYIMWAKIL-JCYILVPMSA-N 2 0 305.466 2.428 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000997 688548784 /nfs/dbraw/zinc/54/87/84/688548784.db2.gz NMTHPZJBWGMZBJ-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCOc1cccc(C[NH2+]C2(CCOC)CC[NH2+]CC2)c1 ZINC000873225398 689188069 /nfs/dbraw/zinc/18/80/69/689188069.db2.gz XSHZXSQIEUUAHA-UHFFFAOYSA-N 2 0 304.434 2.500 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143814 689402760 /nfs/dbraw/zinc/40/27/60/689402760.db2.gz MJXALEGFYZKLRV-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223626 689430201 /nfs/dbraw/zinc/43/02/01/689430201.db2.gz RUCWLFIEKKRMNO-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285335 689794671 /nfs/dbraw/zinc/79/46/71/689794671.db2.gz BTAJXABKCKQPJD-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328812 689810533 /nfs/dbraw/zinc/81/05/33/689810533.db2.gz DUPYUSFSELJMQU-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364860 689824507 /nfs/dbraw/zinc/82/45/07/689824507.db2.gz WXFWBSFIOJRNGA-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034393371 689833067 /nfs/dbraw/zinc/83/30/67/689833067.db2.gz DEIHTNBSYDUBTF-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432348 689848698 /nfs/dbraw/zinc/84/86/98/689848698.db2.gz VFCSPLLJUMJWBW-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034462908 689858947 /nfs/dbraw/zinc/85/89/47/689858947.db2.gz QBRVMVRETHXASC-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000876765018 689930273 /nfs/dbraw/zinc/93/02/73/689930273.db2.gz YHVAAXMSWMOHTR-UONOGXRCSA-N 2 0 315.889 2.473 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035198544 690057191 /nfs/dbraw/zinc/05/71/91/690057191.db2.gz LVNVQGAOTCLOBS-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001036222966 690295100 /nfs/dbraw/zinc/29/51/00/690295100.db2.gz CTMIAPBSFJGMPY-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001036240583 690299190 /nfs/dbraw/zinc/29/91/90/690299190.db2.gz LCRYKZLYNSFUGF-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810153 690481284 /nfs/dbraw/zinc/48/12/84/690481284.db2.gz WPVTVSPMVBWZNO-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001039394234 691096923 /nfs/dbraw/zinc/09/69/23/691096923.db2.gz PJJOWYGTIDQTHV-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039460159 691111063 /nfs/dbraw/zinc/11/10/63/691111063.db2.gz BQZNJMSOCMJQQW-KSZLIROESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474644 691115146 /nfs/dbraw/zinc/11/51/46/691115146.db2.gz SNOCAYPXMYHWBD-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040394150 691241356 /nfs/dbraw/zinc/24/13/56/691241356.db2.gz IQYBGZBJDPZCER-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040727103 691282848 /nfs/dbraw/zinc/28/28/48/691282848.db2.gz OIAVYSMWPDBWIN-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001040849317 691292657 /nfs/dbraw/zinc/29/26/57/691292657.db2.gz QIXZKHOXPJSGLF-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040948303 691300548 /nfs/dbraw/zinc/30/05/48/691300548.db2.gz OCSRBCCPWBWYRW-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285376 691355985 /nfs/dbraw/zinc/35/59/85/691355985.db2.gz DQEIVFVSIHYWER-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041408136 691372818 /nfs/dbraw/zinc/37/28/18/691372818.db2.gz KWZMMPBEFSQZPR-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000883194674 691453996 /nfs/dbraw/zinc/45/39/96/691453996.db2.gz AKWGDPKUWDBVEK-QZTJIDSGSA-N 2 0 309.498 2.116 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042188264 691532128 /nfs/dbraw/zinc/53/21/28/691532128.db2.gz RGCKWYPQNSEWBJ-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045557295 691996835 /nfs/dbraw/zinc/99/68/35/691996835.db2.gz FYYODVFSDVGOJA-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942812 692058895 /nfs/dbraw/zinc/05/88/95/692058895.db2.gz AFLUHOYTQRHABV-IEBWSBKVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045964915 692064431 /nfs/dbraw/zinc/06/44/31/692064431.db2.gz AATIADUROXHAKG-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094672 692762182 /nfs/dbraw/zinc/76/21/82/692762182.db2.gz OWCVNKDXWLMBBQ-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049370353 692858098 /nfs/dbraw/zinc/85/80/98/692858098.db2.gz UYKWBFRVRSPXIE-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049480515 692895490 /nfs/dbraw/zinc/89/54/90/692895490.db2.gz FOZLJWSDBTXADM-XWTMOSNGSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531986 692914343 /nfs/dbraw/zinc/91/43/43/692914343.db2.gz FXRWSOSMHHCCAJ-ZACQAIPSSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568676 692924463 /nfs/dbraw/zinc/92/44/63/692924463.db2.gz VWTNHEVTNHERPA-SJORKVTESA-N 2 0 317.477 2.256 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671192 692960939 /nfs/dbraw/zinc/96/09/39/692960939.db2.gz IZAREKSUMCOUDJ-FJIDUMEYSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049702208 692968464 /nfs/dbraw/zinc/96/84/64/692968464.db2.gz FXRWSOSMHHCCAJ-BRWVUGGUSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049727261 692977578 /nfs/dbraw/zinc/97/75/78/692977578.db2.gz ISXYBHLZRXFOFG-BBWFWOEESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846199 693020399 /nfs/dbraw/zinc/02/03/99/693020399.db2.gz GIYSGOOUNINOGJ-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001049919243 693048043 /nfs/dbraw/zinc/04/80/43/693048043.db2.gz OFXJAUUMUUFSLA-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050545378 693204381 /nfs/dbraw/zinc/20/43/81/693204381.db2.gz CSXKNAIOOPZNJI-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3C[C@H]([NH3+])C34CCC4)CC2)c1 ZINC000925702139 693326683 /nfs/dbraw/zinc/32/66/83/693326683.db2.gz LZLITPOYJWDAFP-OALUTQOASA-N 2 0 324.472 2.382 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925724821 693330284 /nfs/dbraw/zinc/33/02/84/693330284.db2.gz DNFCFYGYDVYTSQ-ZWKOTPCHSA-N 2 0 310.445 2.387 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052370014 693517383 /nfs/dbraw/zinc/51/73/83/693517383.db2.gz XVPOWXHVAGSLGT-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052497498 693549583 /nfs/dbraw/zinc/54/95/83/693549583.db2.gz CIWLRGCEAJDFOZ-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765435 693615562 /nfs/dbraw/zinc/61/55/62/693615562.db2.gz ZKBHPALONZORGS-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052864984 693636489 /nfs/dbraw/zinc/63/64/89/693636489.db2.gz BXQHYMZYHOPEGP-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052864987 693637192 /nfs/dbraw/zinc/63/71/92/693637192.db2.gz BXQHYMZYHOPEGP-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001052899370 693644070 /nfs/dbraw/zinc/64/40/70/693644070.db2.gz SUXVMMJBGXUFFE-AEFFLSMTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001354500961 1151899117 /nfs/dbraw/zinc/89/91/17/1151899117.db2.gz XEQOQFREWZJHIW-QZTJIDSGSA-N 2 0 315.461 2.369 20 30 DEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200573 1153265540 /nfs/dbraw/zinc/26/55/40/1153265540.db2.gz XMDOESCLKZTDMR-FHLIZLRMSA-N 2 0 301.434 2.254 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001397120475 1160002649 /nfs/dbraw/zinc/00/26/49/1160002649.db2.gz GRXLFAKUWXWUFQ-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001398794695 1161105616 /nfs/dbraw/zinc/10/56/16/1161105616.db2.gz PRXOMXNBKKEKIE-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001400987638 1161856293 /nfs/dbraw/zinc/85/62/93/1161856293.db2.gz IMQOHVBDMWAYFK-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001401293786 1161917760 /nfs/dbraw/zinc/91/77/60/1161917760.db2.gz ZQGNQXYQVLYFGY-OAHLLOKOSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001401649179 1162059239 /nfs/dbraw/zinc/05/92/39/1162059239.db2.gz DJWDVPNCTKGCKG-CYBMUJFWSA-N 2 0 309.841 2.209 20 30 DEEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001418654408 1167866063 /nfs/dbraw/zinc/86/60/63/1167866063.db2.gz AZNCZIGGSUOKMD-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001420919066 1171348410 /nfs/dbraw/zinc/34/84/10/1171348410.db2.gz BBFPNYBRLILJCT-CQSZACIVSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001424474868 1173802733 /nfs/dbraw/zinc/80/27/33/1173802733.db2.gz MUIWZGYWFRDMLW-CYBMUJFWSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001426140355 1174613900 /nfs/dbraw/zinc/61/39/00/1174613900.db2.gz UJBZTRRGLBMKKU-TZMCWYRMSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001443374490 1182959452 /nfs/dbraw/zinc/95/94/52/1182959452.db2.gz WSYSYXCFPGJVHG-UHFFFAOYSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001446588256 1184432035 /nfs/dbraw/zinc/43/20/35/1184432035.db2.gz XEFVEALFAWTNQA-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001072907814 790298501 /nfs/dbraw/zinc/29/85/01/790298501.db2.gz ZCDLJGVFZFOREZ-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC001332992005 1149948370 /nfs/dbraw/zinc/94/83/70/1149948370.db2.gz RSKGTSINQQKXRZ-SFHVURJKSA-N 2 0 313.445 2.413 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321913 782652847 /nfs/dbraw/zinc/65/28/47/782652847.db2.gz HOJKVWISQRZZNV-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419431 783088180 /nfs/dbraw/zinc/08/81/80/783088180.db2.gz GKZPSFAJCVEKQG-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947471405 783146178 /nfs/dbraw/zinc/14/61/78/783146178.db2.gz BTTDIYCMBBJVQT-GDBMZVCRSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001073118058 790468296 /nfs/dbraw/zinc/46/82/96/790468296.db2.gz DRFZHTHRIVCLMU-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125548 790472644 /nfs/dbraw/zinc/47/26/44/790472644.db2.gz AKMJLLPFGFKBTF-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179344 776751412 /nfs/dbraw/zinc/75/14/12/776751412.db2.gz FSSRZBBOUKDOBS-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167732586 778192698 /nfs/dbraw/zinc/19/26/98/778192698.db2.gz IMFVAOZFBJJTGB-MRXNPFEDSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001104908571 778244698 /nfs/dbraw/zinc/24/46/98/778244698.db2.gz BZCJTZACDHADJF-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523198 778458419 /nfs/dbraw/zinc/45/84/19/778458419.db2.gz HMFFZPCABRCHKS-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696902 779414060 /nfs/dbraw/zinc/41/40/60/779414060.db2.gz RWNXADOPUCBUQH-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749642 779437039 /nfs/dbraw/zinc/43/70/39/779437039.db2.gz SSINYOZKAPTJPR-KSZLIROESA-N 2 0 319.493 2.242 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)[C@@H]2CC)CC1 ZINC001087840204 779477803 /nfs/dbraw/zinc/47/78/03/779477803.db2.gz LZHHIMRHTZLUJE-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP 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 779582906 /nfs/dbraw/zinc/58/29/06/779582906.db2.gz OYPAPCALPVRCPE-VSZNYVQBSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993493 779621257 /nfs/dbraw/zinc/62/12/57/779621257.db2.gz QCXMBVQLHDVCGE-SQNIBIBYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001088383348 780055335 /nfs/dbraw/zinc/05/53/35/780055335.db2.gz BZEKVJBGEAKFAT-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088413353 780087956 /nfs/dbraw/zinc/08/79/56/780087956.db2.gz DICBNEBAFDBCHK-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882541 783256159 /nfs/dbraw/zinc/25/61/59/783256159.db2.gz UXEDDNKLAWNCLA-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664852 783337563 /nfs/dbraw/zinc/33/75/63/783337563.db2.gz OVICEQSFLIKQRJ-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001085333049 783642027 /nfs/dbraw/zinc/64/20/27/783642027.db2.gz XJAYEOTUMITIBQ-BPLDGKMQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266067 783916865 /nfs/dbraw/zinc/91/68/65/783916865.db2.gz ZKNCYZDXCWHWPH-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707118 784097030 /nfs/dbraw/zinc/09/70/30/784097030.db2.gz CPCWOWFIFQNWOO-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198622 791019860 /nfs/dbraw/zinc/01/98/60/791019860.db2.gz MQQCUKNDQFTLBW-AQFXKWCLSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002105 784686599 /nfs/dbraw/zinc/68/65/99/784686599.db2.gz KSINSHCBDKKZSA-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008064463 785095611 /nfs/dbraw/zinc/09/56/11/785095611.db2.gz VQTIFEHAUCKIBP-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C#C[C@@](C)(CC)Nc1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001169693034 785307235 /nfs/dbraw/zinc/30/72/35/785307235.db2.gz SIPTUJSNKYRXTQ-KRWDZBQOSA-N 2 0 301.438 2.174 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108703414 785494006 /nfs/dbraw/zinc/49/40/06/785494006.db2.gz PWNHCENIODUFHK-BBWFWOEESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823314 785563775 /nfs/dbraw/zinc/56/37/75/785563775.db2.gz KWUJRJSDHDAJHP-BZSNNMDCSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828486 785567299 /nfs/dbraw/zinc/56/72/99/785567299.db2.gz QOYLBFLKFSOQKF-BZSNNMDCSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001091377160 791122992 /nfs/dbraw/zinc/12/29/92/791122992.db2.gz BXKCPUYGVGSTGI-NRXISQOPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669121 785982600 /nfs/dbraw/zinc/98/26/00/785982600.db2.gz OYUVINNGQVOQIH-IKGGRYGDSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671542 785982915 /nfs/dbraw/zinc/98/29/15/785982915.db2.gz OREICERMTKIVHY-BGTYHANMSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113159078 786421272 /nfs/dbraw/zinc/42/12/72/786421272.db2.gz WPGPDUKFLXRMII-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001113248184 786473805 /nfs/dbraw/zinc/47/38/05/786473805.db2.gz UHRAZMXKGDEZEK-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724328 786725120 /nfs/dbraw/zinc/72/51/20/786725120.db2.gz UHANWYRJCSJWQI-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189590 787309824 /nfs/dbraw/zinc/30/98/24/787309824.db2.gz QGKBUDJCKDJZFR-SJORKVTESA-N 2 0 307.482 2.456 20 30 DEEDRP 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 787449856 /nfs/dbraw/zinc/44/98/56/787449856.db2.gz HYUNIYGOBHPSBR-LLDVTBCESA-N 2 0 323.456 2.106 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609483 787765882 /nfs/dbraw/zinc/76/58/82/787765882.db2.gz OWJGKGNQRRNEES-NJAFHUGGSA-N 2 0 313.445 2.269 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158481052 787780659 /nfs/dbraw/zinc/78/06/59/787780659.db2.gz WPXLDYOSXJHVQZ-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP 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 787982384 /nfs/dbraw/zinc/98/23/84/787982384.db2.gz VKMFNHBNGPRUCH-JJTUDDRGSA-N 2 0 305.466 2.014 20 30 DEEDRP 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 788021318 /nfs/dbraw/zinc/02/13/18/788021318.db2.gz WNXHEWLZSRATCD-MLHJIOFPSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132424280 788063879 /nfs/dbraw/zinc/06/38/79/788063879.db2.gz DQMJEENEEDXUKZ-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549727 788127661 /nfs/dbraw/zinc/12/76/61/788127661.db2.gz YSFPTPHHQQAVJR-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953222 788241224 /nfs/dbraw/zinc/24/12/24/788241224.db2.gz CRYBAXPEWMWAMP-HOCLYGCPSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133039734 788258089 /nfs/dbraw/zinc/25/80/89/788258089.db2.gz VLGGDOAZVRRAFQ-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097976100 788304862 /nfs/dbraw/zinc/30/48/62/788304862.db2.gz TWIUPCIQUURIAB-ZACQAIPSSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133222343 788321299 /nfs/dbraw/zinc/32/12/99/788321299.db2.gz ODSFYGHLTSAZQI-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133262110 788338433 /nfs/dbraw/zinc/33/84/33/788338433.db2.gz GRDSAGVPRDLLJT-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133309978 788356944 /nfs/dbraw/zinc/35/69/44/788356944.db2.gz JZUBEINFAWOZIX-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101348 789198963 /nfs/dbraw/zinc/19/89/63/789198963.db2.gz LHAZZRMFXMVAQA-DLBZAZTESA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135297555 789277195 /nfs/dbraw/zinc/27/71/95/789277195.db2.gz DMKKSIJYVCHJNW-ZIAGYGMSSA-N 2 0 307.438 2.404 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135297553 789277555 /nfs/dbraw/zinc/27/75/55/789277555.db2.gz DMKKSIJYVCHJNW-KGLIPLIRSA-N 2 0 307.438 2.404 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820596 789928732 /nfs/dbraw/zinc/92/87/32/789928732.db2.gz AJFKACFUPXSGQB-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071871193 789951215 /nfs/dbraw/zinc/95/12/15/789951215.db2.gz GNHFXKDQULXWCX-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919349 789972069 /nfs/dbraw/zinc/97/20/69/789972069.db2.gz AINUJZNXBJTWFM-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071954073 789985272 /nfs/dbraw/zinc/98/52/72/789985272.db2.gz JJOYCMGLUCNBDQ-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583748 791310203 /nfs/dbraw/zinc/31/02/03/791310203.db2.gz PAGQFXWAJWANQG-CVEARBPZSA-N 2 0 315.461 2.258 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147450062 791549691 /nfs/dbraw/zinc/54/96/91/791549691.db2.gz XHPRMLMBAMAPFG-HNNXBMFYSA-N 2 0 309.841 2.138 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086941774 791856673 /nfs/dbraw/zinc/85/66/73/791856673.db2.gz BGESGKNTWOHDEK-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086928909 791859661 /nfs/dbraw/zinc/85/96/61/791859661.db2.gz RQOHASGZKTXOED-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809674 791886251 /nfs/dbraw/zinc/88/62/51/791886251.db2.gz PGOJXHGLIKZBOK-LMMKCTJWSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071452 791928351 /nfs/dbraw/zinc/92/83/51/791928351.db2.gz WKWJMNXTBSPYRX-LMMKCTJWSA-N 2 0 319.493 2.216 20 30 DEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115351 792102428 /nfs/dbraw/zinc/10/24/28/792102428.db2.gz GXNKWPQSXHIYRP-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496782 792940708 /nfs/dbraw/zinc/94/07/08/792940708.db2.gz HUFHAQHJHRPQJA-IMBTUZDBSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036519 792978167 /nfs/dbraw/zinc/97/81/67/792978167.db2.gz RPXJIQKRVDPDRL-OFLPRAFFSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161947 793044145 /nfs/dbraw/zinc/04/41/45/793044145.db2.gz ZOUUNJAVCXSEQQ-VSZNYVQBSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171539373 793113524 /nfs/dbraw/zinc/11/35/24/793113524.db2.gz TZRUBCGLUANCKT-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362979 793133928 /nfs/dbraw/zinc/13/39/28/793133928.db2.gz LUCMVSXRIPZWBG-RYRKJORJSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669479 793165476 /nfs/dbraw/zinc/16/54/76/793165476.db2.gz XXKWNDDSWWFBKW-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171685372 793187496 /nfs/dbraw/zinc/18/74/96/793187496.db2.gz YOLGIKRPIZOEDJ-HNNXBMFYSA-N 2 0 312.417 2.236 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001101591212 793253778 /nfs/dbraw/zinc/25/37/78/793253778.db2.gz MATXBMUMTWKIET-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101594702 793258341 /nfs/dbraw/zinc/25/83/41/793258341.db2.gz LGPWHTLUADSBFW-MRXNPFEDSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001171929019 793264585 /nfs/dbraw/zinc/26/45/85/793264585.db2.gz CEKDEHVRYMKYQA-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP C[C@@H](Cc1ccc(C#N)cc1)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001172298718 793406805 /nfs/dbraw/zinc/40/68/05/793406805.db2.gz CWYZHLKJMNAKJL-JTQLQIEISA-N 2 0 321.475 2.374 20 30 DEEDRP CC(C)N(C)Cc1nnc2n1CCCN([C@@H](C)CCCC#N)C2 ZINC001172497313 793437867 /nfs/dbraw/zinc/43/78/67/793437867.db2.gz AXPRUUKVIULDLV-HNNXBMFYSA-N 2 0 318.469 2.406 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102104051 793505501 /nfs/dbraw/zinc/50/55/01/793505501.db2.gz CLHKBEKITBNLKG-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330293 793577696 /nfs/dbraw/zinc/57/76/96/793577696.db2.gz NJRMCGHVTCYPKX-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP CC1(C#N)CCC([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001173596992 793776915 /nfs/dbraw/zinc/77/69/15/793776915.db2.gz CVJKPCCUVSOFCU-UHFFFAOYSA-N 2 0 304.482 2.172 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001174882991 794082807 /nfs/dbraw/zinc/08/28/07/794082807.db2.gz ZYRSNVOTIOIRMJ-ROUUACIJSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760107 794498804 /nfs/dbraw/zinc/49/88/04/794498804.db2.gz QAXPKXOPVGGYEG-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111925702 794528126 /nfs/dbraw/zinc/52/81/26/794528126.db2.gz GPUHRARWUMREFK-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111952633 794533578 /nfs/dbraw/zinc/53/35/78/794533578.db2.gz RSKYCNGRYYUBFS-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001112359674 794612772 /nfs/dbraw/zinc/61/27/72/794612772.db2.gz DRBPVVBITWZWGQ-NTDBWNAOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396869 794622657 /nfs/dbraw/zinc/62/26/57/794622657.db2.gz HYEOZDBRVZUNHZ-WMZOPIPTSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001177353272 794652874 /nfs/dbraw/zinc/65/28/74/794652874.db2.gz WRHLXWDEYOYUAI-UHFFFAOYSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CCCCC1 ZINC001115573114 794826455 /nfs/dbraw/zinc/82/64/55/794826455.db2.gz INSOPXQFHBHODF-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579369 794828689 /nfs/dbraw/zinc/82/86/89/794828689.db2.gz KPLQDBWMACCFBB-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCCC1 ZINC001115592006 794831660 /nfs/dbraw/zinc/83/16/60/794831660.db2.gz ONBWMEOIGOHHQQ-UHFFFAOYSA-N 2 0 319.493 2.457 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688048 794975614 /nfs/dbraw/zinc/97/56/14/794975614.db2.gz DZWRJQMKRDYIKQ-GOSISDBHSA-N 2 0 321.509 2.254 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131431 795238623 /nfs/dbraw/zinc/23/86/23/795238623.db2.gz DPPSWQJKSFZGBA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180270471 795268823 /nfs/dbraw/zinc/26/88/23/795268823.db2.gz XESJMVJNZQFWOF-UHFFFAOYSA-N 2 0 301.862 2.101 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421865 795456101 /nfs/dbraw/zinc/45/61/01/795456101.db2.gz FPDZZZIGEWWYQP-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC001121988080 795713209 /nfs/dbraw/zinc/71/32/09/795713209.db2.gz HQBMPYGTHVGZTK-KRWDZBQOSA-N 2 0 303.450 2.438 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001122284710 795743561 /nfs/dbraw/zinc/74/35/61/795743561.db2.gz CTIOJEKBLJWLST-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184575107 796086516 /nfs/dbraw/zinc/08/65/16/796086516.db2.gz BJSMCHMJPMJVEO-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184737088 796118034 /nfs/dbraw/zinc/11/80/34/796118034.db2.gz YFIFZMTUVIXSRS-WBVHZDCISA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185445148 796258554 /nfs/dbraw/zinc/25/85/54/796258554.db2.gz FCDRTALXIGBFRQ-HIFRSBDPSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185503925 796273768 /nfs/dbraw/zinc/27/37/68/796273768.db2.gz UCJATLWYUSNDST-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185762140 796311579 /nfs/dbraw/zinc/31/15/79/796311579.db2.gz MRQCAMZHKVDQQE-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028401 796515307 /nfs/dbraw/zinc/51/53/07/796515307.db2.gz NJOCXMLELXFAPA-LSDHHAIUSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190083918 796934553 /nfs/dbraw/zinc/93/45/53/796934553.db2.gz HKFHCDOVZWZCEE-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212583 796964364 /nfs/dbraw/zinc/96/43/64/796964364.db2.gz GCMAELHWYWSFAT-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967896 797301491 /nfs/dbraw/zinc/30/14/91/797301491.db2.gz NGFAQFMKPWKHMP-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134230 797325753 /nfs/dbraw/zinc/32/57/53/797325753.db2.gz HVKMOFCJYCPVPB-RDJZCZTQSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819315 797403668 /nfs/dbraw/zinc/40/36/68/797403668.db2.gz WJRHMGBPTVODLH-IAGOWNOFSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001154083178 797457704 /nfs/dbraw/zinc/45/77/04/797457704.db2.gz LDSAHLXJTYDSOK-CVEARBPZSA-N 2 0 318.465 2.238 20 30 DEEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193423560 797564816 /nfs/dbraw/zinc/56/48/16/797564816.db2.gz CNEWLYCBOCAQMV-GOSISDBHSA-N 2 0 321.509 2.445 20 30 DEEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011593 797662286 /nfs/dbraw/zinc/66/22/86/797662286.db2.gz VGQFSGCZTFULQP-DLBZAZTESA-N 2 0 309.498 2.441 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883944 797874273 /nfs/dbraw/zinc/87/42/73/797874273.db2.gz RSXIRTSFFYQKPW-SJORKVTESA-N 2 0 309.498 2.203 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883929 797874333 /nfs/dbraw/zinc/87/43/33/797874333.db2.gz RBSSRZXLWQLWGW-IAGOWNOFSA-N 2 0 309.498 2.203 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953680 798131095 /nfs/dbraw/zinc/13/10/95/798131095.db2.gz VBKYAGBWHOZSJI-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001197477939 798193412 /nfs/dbraw/zinc/19/34/12/798193412.db2.gz PWSBGUKPFPJFMK-UHFFFAOYSA-N 2 0 307.482 2.056 20 30 DEEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199787642 798538978 /nfs/dbraw/zinc/53/89/78/798538978.db2.gz CBPOSYLRSXAELK-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CCCCC1 ZINC001161247991 798816157 /nfs/dbraw/zinc/81/61/57/798816157.db2.gz PCCRYVVXWCHJNJ-INIZCTEOSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161952298 798977570 /nfs/dbraw/zinc/97/75/70/798977570.db2.gz FXBQMPYXSMGDIO-UHFFFAOYSA-N 2 0 307.482 2.431 20 30 DEEDRP N#CC1(c2ccc(NCCC[NH2+]CCCC[NH3+])nc2)CCC1 ZINC001162290413 799052030 /nfs/dbraw/zinc/05/20/30/799052030.db2.gz SMGPLQFNOJSZBK-UHFFFAOYSA-N 2 0 301.438 2.157 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165456102 799733916 /nfs/dbraw/zinc/73/39/16/799733916.db2.gz RCZZPEAKPGXEHU-INIZCTEOSA-N 2 0 307.482 2.026 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793580 799951854 /nfs/dbraw/zinc/95/18/54/799951854.db2.gz VHKBCZHSTZFWSE-KRWDZBQOSA-N 2 0 319.493 2.008 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203524053 800069112 /nfs/dbraw/zinc/06/91/12/800069112.db2.gz SXQAHYJFKVOJPU-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203578227 800084467 /nfs/dbraw/zinc/08/44/67/800084467.db2.gz VSBGYCBLABGBDI-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203613819 800090572 /nfs/dbraw/zinc/09/05/72/800090572.db2.gz FREYWBVACOXZOC-CVEARBPZSA-N 2 0 317.477 2.065 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203731395 800114582 /nfs/dbraw/zinc/11/45/82/800114582.db2.gz NZAGQTFIXIKVJX-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CCCC[NH3+])CC2)C1 ZINC001204848745 800266559 /nfs/dbraw/zinc/26/65/59/800266559.db2.gz SKZRNVDUPOKFBT-UHFFFAOYSA-N 2 0 309.454 2.226 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205526086 800369612 /nfs/dbraw/zinc/36/96/12/800369612.db2.gz CRSAHAJHBQIJBS-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206549242 800552263 /nfs/dbraw/zinc/55/22/63/800552263.db2.gz XCADTMHFCZWPRF-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]2CC ZINC001207435597 800751185 /nfs/dbraw/zinc/75/11/85/800751185.db2.gz RADJSPPTDFSVMO-MJGOQNOKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001208678036 801045113 /nfs/dbraw/zinc/04/51/13/801045113.db2.gz DPNXUYODFMSOHJ-CVEARBPZSA-N 2 0 318.465 2.288 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408425 801185142 /nfs/dbraw/zinc/18/51/42/801185142.db2.gz NTWYXAYXYZJCEK-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001229193769 801240023 /nfs/dbraw/zinc/24/00/23/801240023.db2.gz FYBRYOJJMDFZGL-KZNAEPCWSA-N 2 0 321.509 2.393 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001229287692 801251844 /nfs/dbraw/zinc/25/18/44/801251844.db2.gz PQFQYOVXAPIIRT-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209938988 801310511 /nfs/dbraw/zinc/31/05/11/801310511.db2.gz AFGBFTKJOHWBNA-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230035969 801353079 /nfs/dbraw/zinc/35/30/79/801353079.db2.gz ZCKOVZVCHXHZQE-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211063983 801507411 /nfs/dbraw/zinc/50/74/11/801507411.db2.gz FVMASDHQVBTDRR-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611185 801739301 /nfs/dbraw/zinc/73/93/01/801739301.db2.gz SGTHUQJHTGGYHQ-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001215020089 801792289 /nfs/dbraw/zinc/79/22/89/801792289.db2.gz NIWQNMGNYFCNDH-NVXWUHKLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219704065 802369910 /nfs/dbraw/zinc/36/99/10/802369910.db2.gz WDWHQCPYIZKYJN-SFHVURJKSA-N 2 0 315.461 2.412 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387284 802786186 /nfs/dbraw/zinc/78/61/86/802786186.db2.gz DFHOCAQKNSDWOK-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(CNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001225142533 802939537 /nfs/dbraw/zinc/93/95/37/802939537.db2.gz LIRUPUCIYRURCE-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001226615584 803131580 /nfs/dbraw/zinc/13/15/80/803131580.db2.gz YRAXLELEFKXUGS-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227308472 803229900 /nfs/dbraw/zinc/22/99/00/803229900.db2.gz WYSUFGCZVODBPO-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703946 803268979 /nfs/dbraw/zinc/26/89/79/803268979.db2.gz OXIIJCGTZNNWQQ-KZNAEPCWSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228415388 803356505 /nfs/dbraw/zinc/35/65/05/803356505.db2.gz LIRAESVSRUEFIK-SFHVURJKSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCCCC)CC1 ZINC001500057612 1058457150 /nfs/dbraw/zinc/45/71/50/1058457150.db2.gz LIVXPWZQOVCJJJ-UHFFFAOYSA-N 2 0 321.509 2.443 20 30 DEEDRP C#CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462546069 1058846205 /nfs/dbraw/zinc/84/62/05/1058846205.db2.gz KEMOVUGEBPPUCW-WDSOQIARSA-N 2 0 300.446 2.261 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001501222930 1059389344 /nfs/dbraw/zinc/38/93/44/1059389344.db2.gz AAWKQRWHJJJQKJ-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001501712363 1059658687 /nfs/dbraw/zinc/65/86/87/1059658687.db2.gz NWCYXEFPCNHRGU-JYJNAYRXSA-N 2 0 318.465 2.429 20 30 DEEDRP C#CC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001502789581 1060298226 /nfs/dbraw/zinc/29/82/26/1060298226.db2.gz CCQFJPUYVBCALU-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479525947 1061494416 /nfs/dbraw/zinc/49/44/16/1061494416.db2.gz VCJKNHRCIHONSU-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001479673027 1061584830 /nfs/dbraw/zinc/58/48/30/1061584830.db2.gz TXWUZLSZKBGMTB-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001479830873 1061860056 /nfs/dbraw/zinc/86/00/56/1061860056.db2.gz RJNJUMHMVFCUOA-IAGOWNOFSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480070811 1062272440 /nfs/dbraw/zinc/27/24/40/1062272440.db2.gz AMXFHMGJKUIPCY-GJZGRUSLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001480166746 1062415481 /nfs/dbraw/zinc/41/54/81/1062415481.db2.gz BWQFBQVEEPOMQQ-LUKYLMHMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001480190210 1062443606 /nfs/dbraw/zinc/44/36/06/1062443606.db2.gz YIAKRDJHJSTTOD-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001506866714 1062451723 /nfs/dbraw/zinc/45/17/23/1062451723.db2.gz WAVNYKZIVRFVPS-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001506888237 1062474311 /nfs/dbraw/zinc/47/43/11/1062474311.db2.gz XGTSRXKSQXJZRI-BRSBDYLESA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001507084538 1062801209 /nfs/dbraw/zinc/80/12/09/1062801209.db2.gz HFQWLJADPOVRPI-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001507347213 1063132931 /nfs/dbraw/zinc/13/29/31/1063132931.db2.gz HEVMDAJAVHKICH-MAUKXSAKSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001507355850 1063147290 /nfs/dbraw/zinc/14/72/90/1063147290.db2.gz NIAJVWSRAAYNFS-SJLPKXTDSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001480823476 1063401472 /nfs/dbraw/zinc/40/14/72/1063401472.db2.gz JRKZTKQLDNGJGX-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001507969310 1063484470 /nfs/dbraw/zinc/48/44/70/1063484470.db2.gz GIZQGDFPWMNOHV-DLBZAZTESA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001508020712 1063499354 /nfs/dbraw/zinc/49/93/54/1063499354.db2.gz HKOKJOHTSYLECY-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)(C)C ZINC001508020128 1063499942 /nfs/dbraw/zinc/49/99/42/1063499942.db2.gz FNSZEDUTLBRYER-IAGOWNOFSA-N 2 0 321.509 2.393 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001508035679 1063509307 /nfs/dbraw/zinc/50/93/07/1063509307.db2.gz HRUYSYJQSLWHCF-OAHLLOKOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001493243469 1063664247 /nfs/dbraw/zinc/66/42/47/1063664247.db2.gz GADJJWPDQQIHFO-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493969364 1064050914 /nfs/dbraw/zinc/05/09/14/1064050914.db2.gz ZPXLKGNUWBLAIR-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001494044228 1064099418 /nfs/dbraw/zinc/09/94/18/1064099418.db2.gz WTIALGQSGNLQKZ-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001494044224 1064099685 /nfs/dbraw/zinc/09/96/85/1064099685.db2.gz WTIALGQSGNLQKZ-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001494077937 1064114581 /nfs/dbraw/zinc/11/45/81/1064114581.db2.gz DFRCFQWMWNDNMT-GOSISDBHSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001494134038 1064133778 /nfs/dbraw/zinc/13/37/78/1064133778.db2.gz CXZUYXFYSHPMCF-FGTMMUONSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001494138546 1064135819 /nfs/dbraw/zinc/13/58/19/1064135819.db2.gz WGWPJAUEAAZLEU-CQSZACIVSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494178399 1064159993 /nfs/dbraw/zinc/15/99/93/1064159993.db2.gz IYFVQPOYDXJICZ-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001567634824 1064294774 /nfs/dbraw/zinc/29/47/74/1064294774.db2.gz RNKFTTHFVYUOFZ-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567738652 1064391892 /nfs/dbraw/zinc/39/18/92/1064391892.db2.gz RFSVFNCHYTTZFC-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752388 1064403048 /nfs/dbraw/zinc/40/30/48/1064403048.db2.gz QOKJXBJCJHALFS-SJLPKXTDSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001568330486 1064782441 /nfs/dbraw/zinc/78/24/41/1064782441.db2.gz BHGBCOSDVMATQS-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001495437943 1064904883 /nfs/dbraw/zinc/90/48/83/1064904883.db2.gz OPHHFAAKDVORPD-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001568485405 1064906511 /nfs/dbraw/zinc/90/65/11/1064906511.db2.gz VDKRKGSXNPVUHS-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC/C=C\CC)CC1 ZINC001568506977 1064920003 /nfs/dbraw/zinc/92/00/03/1064920003.db2.gz YUGYQBFDQUENKS-FPLPWBNLSA-N 2 0 319.493 2.078 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001568514914 1064928723 /nfs/dbraw/zinc/92/87/23/1064928723.db2.gz DNAMSTKLWUAAMU-IAGOWNOFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568531191 1064942441 /nfs/dbraw/zinc/94/24/41/1064942441.db2.gz NPORNTAFHRZDRY-SJORKVTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001569209789 1065367639 /nfs/dbraw/zinc/36/76/39/1065367639.db2.gz JWRVGYGUNVXYFA-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1CC ZINC001569343667 1065443444 /nfs/dbraw/zinc/44/34/44/1065443444.db2.gz XOIWGDCHFQLVHK-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001496425150 1065463177 /nfs/dbraw/zinc/46/31/77/1065463177.db2.gz CILFNLKXLOFQIS-HNNXBMFYSA-N 2 0 315.889 2.440 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCC1 ZINC001569603806 1065616855 /nfs/dbraw/zinc/61/68/55/1065616855.db2.gz FYRWKBWSDFAWGW-RCCFBDPRSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001569668935 1065660277 /nfs/dbraw/zinc/66/02/77/1065660277.db2.gz DFOFDUFOVLBAAH-WMZOPIPTSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001569813836 1065735476 /nfs/dbraw/zinc/73/54/76/1065735476.db2.gz NAYYJPPXBJFTKD-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001496903820 1065791112 /nfs/dbraw/zinc/79/11/12/1065791112.db2.gz JJALYZRVAWJZED-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001570005142 1065875156 /nfs/dbraw/zinc/87/51/56/1065875156.db2.gz MEGHQKLCNUFAQP-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001570375616 1066038933 /nfs/dbraw/zinc/03/89/33/1066038933.db2.gz XTGHRKGEXSIAOY-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001570522230 1066104376 /nfs/dbraw/zinc/10/43/76/1066104376.db2.gz SXIIXKAFRQXQGI-IEBWSBKVSA-N 2 0 315.461 2.276 20 30 DEEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497699367 1066249453 /nfs/dbraw/zinc/24/94/53/1066249453.db2.gz CETZCLXALBTGOJ-AATRIKPKSA-N 2 0 301.434 2.200 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309154 1148521088 /nfs/dbraw/zinc/52/10/88/1148521088.db2.gz UJFMJVWMICSRDM-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC001576809230 1066694961 /nfs/dbraw/zinc/69/49/61/1066694961.db2.gz QOGGAFSNTQJCFT-PBHICJAKSA-N 2 0 323.444 2.375 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001498658761 1066825829 /nfs/dbraw/zinc/82/58/29/1066825829.db2.gz QXIDIUVTPGMARM-HNNXBMFYSA-N 2 0 315.889 2.297 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001498905335 1066949892 /nfs/dbraw/zinc/94/98/92/1066949892.db2.gz ZXNFRXDOGNFPFU-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001499261854 1067160500 /nfs/dbraw/zinc/16/05/00/1067160500.db2.gz QQFWRMQLGIOCPY-INIZCTEOSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(Cl)CN(C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001480913217 1078509711 /nfs/dbraw/zinc/50/97/11/1078509711.db2.gz KVBVZMPSVFGDHK-UHFFFAOYSA-N 2 0 323.868 2.205 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]cn2)[C@@H](C)C1 ZINC001499834826 1067353502 /nfs/dbraw/zinc/35/35/02/1067353502.db2.gz KFDXUAXYTNYZHU-GJZGRUSLSA-N 2 0 304.438 2.278 20 30 DEEDRP N#Cc1ccccc1NC(=O)CCN1CC[NH2+]CCC12CCC2 ZINC001580079701 1067491498 /nfs/dbraw/zinc/49/14/98/1067491498.db2.gz CKYUYMLEBVLHQA-UHFFFAOYSA-N 2 0 312.417 2.105 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267182129 1078646212 /nfs/dbraw/zinc/64/62/12/1078646212.db2.gz VEOPRXAHCSALPA-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001570826946 1068130435 /nfs/dbraw/zinc/13/04/35/1068130435.db2.gz HJZHUNGJDKOCPY-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001571017121 1068173603 /nfs/dbraw/zinc/17/36/03/1068173603.db2.gz YFBCZWYXGPRILU-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001267202968 1078662576 /nfs/dbraw/zinc/66/25/76/1078662576.db2.gz AUKFNDHELOIIFT-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001571334236 1068228031 /nfs/dbraw/zinc/22/80/31/1068228031.db2.gz QWXUBMNLOZQJOH-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001571503707 1068364219 /nfs/dbraw/zinc/36/42/19/1068364219.db2.gz UUMCILLNHIJJLV-ZIFCJYIRSA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001571550367 1068415711 /nfs/dbraw/zinc/41/57/11/1068415711.db2.gz ODCAXXHITMETKL-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267267890 1078714694 /nfs/dbraw/zinc/71/46/94/1078714694.db2.gz TULGPYXNTGDKDZ-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001571670635 1068471221 /nfs/dbraw/zinc/47/12/21/1068471221.db2.gz USINKMBTPNQPKS-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001267274050 1078721503 /nfs/dbraw/zinc/72/15/03/1078721503.db2.gz QDFBBOYNINQZGP-OAHLLOKOSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267357866 1078790857 /nfs/dbraw/zinc/79/08/57/1078790857.db2.gz SQZVSYJVPPYPCO-ROUUACIJSA-N 2 0 315.461 2.492 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001267381548 1078814459 /nfs/dbraw/zinc/81/44/59/1078814459.db2.gz DEZNLHPQMXNOOL-KRWDZBQOSA-N 2 0 301.434 2.105 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267460072 1078867781 /nfs/dbraw/zinc/86/77/81/1078867781.db2.gz RBPMACDQKOAGPB-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC1(CC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C[NH2+]C1 ZINC001574880389 1069285835 /nfs/dbraw/zinc/28/58/35/1069285835.db2.gz MYSXJUQROXASQL-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001267488302 1078914042 /nfs/dbraw/zinc/91/40/42/1078914042.db2.gz ITGOIVICSQIDSP-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267488306 1078914114 /nfs/dbraw/zinc/91/41/14/1078914114.db2.gz ITGOIVICSQIDSP-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP CC(C)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001645853777 1079028876 /nfs/dbraw/zinc/02/88/76/1079028876.db2.gz SAUCKEJWNRQPHK-UHFFFAOYSA-N 2 0 314.433 2.349 20 30 DEEDRP C=C(C)CC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001649447157 1079123444 /nfs/dbraw/zinc/12/34/44/1079123444.db2.gz GNRFLKXJCIQDFO-SFHVURJKSA-N 2 0 319.493 2.457 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001483932846 1079194043 /nfs/dbraw/zinc/19/40/43/1079194043.db2.gz RTPIUCAVFFIJEF-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481127658 1079226476 /nfs/dbraw/zinc/22/64/76/1079226476.db2.gz ZNFOGCIYWPVHPE-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC)CC1 ZINC001483989601 1079228305 /nfs/dbraw/zinc/22/83/05/1079228305.db2.gz PODFJZKPDWONQB-IAGOWNOFSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[N@@H+](CCNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001481171326 1079288393 /nfs/dbraw/zinc/28/83/93/1079288393.db2.gz YLXPFRGDNWQILK-UHFFFAOYSA-N 2 0 307.463 2.190 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001481174575 1079292442 /nfs/dbraw/zinc/29/24/42/1079292442.db2.gz RGAQNJLCSIOGDX-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001566743689 1074997639 /nfs/dbraw/zinc/99/76/39/1074997639.db2.gz PPBJJSHZDFZNIY-QZTJIDSGSA-N 2 0 321.509 2.301 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001565852558 1075197324 /nfs/dbraw/zinc/19/73/24/1075197324.db2.gz PITNEZDHNCZPQJ-MHORFTMASA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267685135 1079373195 /nfs/dbraw/zinc/37/31/95/1079373195.db2.gz YYAYWHFOIFTFBW-IRXDYDNUSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001566129399 1075233828 /nfs/dbraw/zinc/23/38/28/1075233828.db2.gz FRAYNEKLHSGADI-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001566563454 1075283441 /nfs/dbraw/zinc/28/34/41/1075283441.db2.gz WQUJWAGMXLKPMF-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962883 1075401628 /nfs/dbraw/zinc/40/16/28/1075401628.db2.gz MWKHDHSDMCFDHE-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567195663 1075460505 /nfs/dbraw/zinc/46/05/05/1075460505.db2.gz BDHNVMHUCZZCEC-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267745922 1079445613 /nfs/dbraw/zinc/44/56/13/1079445613.db2.gz KSVDDVCFKRIVEJ-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267790343 1079496545 /nfs/dbraw/zinc/49/65/45/1079496545.db2.gz MGPPYERITHVLCY-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+](C)Cc1cc(C[N@H+](C)CC=C)cc(-c2nn[nH]n2)c1 ZINC001588626931 1076458153 /nfs/dbraw/zinc/45/81/53/1076458153.db2.gz WCRBYMQQZMKCJF-UHFFFAOYSA-N 2 0 312.421 2.102 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001267933869 1079615944 /nfs/dbraw/zinc/61/59/44/1079615944.db2.gz MTUZLMKXLGWXDF-IYARVYRRSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001484563001 1079662877 /nfs/dbraw/zinc/66/28/77/1079662877.db2.gz IOINFBYQEXXSPL-INIZCTEOSA-N 2 0 315.461 2.317 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001484581914 1079669346 /nfs/dbraw/zinc/66/93/46/1079669346.db2.gz KZSFEZYFENUCAO-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001481344051 1079737451 /nfs/dbraw/zinc/73/74/51/1079737451.db2.gz TZIWDLGCZSIMLL-HNNXBMFYSA-N 2 0 318.465 2.374 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001484917449 1079851932 /nfs/dbraw/zinc/85/19/32/1079851932.db2.gz GZMQAULMAUXJOX-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481465838 1079918064 /nfs/dbraw/zinc/91/80/64/1079918064.db2.gz VSTQUJJHYZXMJT-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001485080173 1079971135 /nfs/dbraw/zinc/97/11/35/1079971135.db2.gz RRPLGUWAMUYAGD-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001481518133 1079987237 /nfs/dbraw/zinc/98/72/37/1079987237.db2.gz IEHHZZZJMZRFMM-QGZVFWFLSA-N 2 0 309.498 2.319 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485144947 1080012249 /nfs/dbraw/zinc/01/22/49/1080012249.db2.gz AQUHXABCUQWSLO-KGLIPLIRSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211960 1080072532 /nfs/dbraw/zinc/07/25/32/1080072532.db2.gz MGNQLYFWUZMWBX-HUUCEWRRSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001485456037 1080216684 /nfs/dbraw/zinc/21/66/84/1080216684.db2.gz FZPBXTPPZATMKI-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001658778260 1080217883 /nfs/dbraw/zinc/21/78/83/1080217883.db2.gz UUQKHGOPTQDWIG-WDSOQIARSA-N 2 0 312.461 2.466 20 30 DEEDRP CC#CC[NH+](C)CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001660365205 1080318312 /nfs/dbraw/zinc/31/83/12/1080318312.db2.gz SMAYQXROWMGCPK-SFHVURJKSA-N 2 0 315.461 2.141 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001660787453 1080395920 /nfs/dbraw/zinc/39/59/20/1080395920.db2.gz LUJCRGQOTAASJZ-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001481729502 1080397855 /nfs/dbraw/zinc/39/78/55/1080397855.db2.gz WDSUEACAXKQUOO-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001485765138 1080421748 /nfs/dbraw/zinc/42/17/48/1080421748.db2.gz NQKKJWBIJDXRRD-UHFFFAOYSA-N 2 0 321.509 2.445 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107027957 1080539060 /nfs/dbraw/zinc/53/90/60/1080539060.db2.gz JMZVRUOFLOUUAE-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001661943472 1080547757 /nfs/dbraw/zinc/54/77/57/1080547757.db2.gz PFBWDNAIEQLOJT-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001661963318 1080550666 /nfs/dbraw/zinc/55/06/66/1080550666.db2.gz CTAXECAQIKQOTI-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037644 1080551562 /nfs/dbraw/zinc/55/15/62/1080551562.db2.gz ZGLIBLFSTJCKET-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001481933409 1080622181 /nfs/dbraw/zinc/62/21/81/1080622181.db2.gz IVFLSUZPFNSVPI-SFHVURJKSA-N 2 0 312.417 2.317 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001481960613 1080651111 /nfs/dbraw/zinc/65/11/11/1080651111.db2.gz GPGALCHBZPIIIQ-LPHOPBHVSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001481992109 1080675070 /nfs/dbraw/zinc/67/50/70/1080675070.db2.gz UYFWQYDEWVIGNB-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001663014518 1080686070 /nfs/dbraw/zinc/68/60/70/1080686070.db2.gz WXCRUGNRWLKXFV-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001663663973 1080800128 /nfs/dbraw/zinc/80/01/28/1080800128.db2.gz JJCYGYPVRSUKJH-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001664457394 1080912647 /nfs/dbraw/zinc/91/26/47/1080912647.db2.gz NLVVUZOPUDKIEW-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C(C)C ZINC001664517063 1080920808 /nfs/dbraw/zinc/92/08/08/1080920808.db2.gz SJRISFDIRKTMJS-GOSISDBHSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268947459 1081060299 /nfs/dbraw/zinc/06/02/99/1081060299.db2.gz PTWLHFGZFMDYGG-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001666302701 1081142247 /nfs/dbraw/zinc/14/22/47/1081142247.db2.gz NRKZBJBJLOUFAI-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001667488571 1081257662 /nfs/dbraw/zinc/25/76/62/1081257662.db2.gz JIUIRXSNBSHVMG-YESZJQIVSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CCC[NH2+]C[C@]1(NC(=O)Cn2ccnc2)CCCC[C@H]1C ZINC001269678224 1081330491 /nfs/dbraw/zinc/33/04/91/1081330491.db2.gz ZYAWCTUSZQLPMM-NVXWUHKLSA-N 2 0 304.438 2.114 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)CCCC[NH+](C)C)CCCC[C@H]1C ZINC001269678094 1081330695 /nfs/dbraw/zinc/33/06/95/1081330695.db2.gz YHZQOYNDNZMLLE-SJLPKXTDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269754861 1081357107 /nfs/dbraw/zinc/35/71/07/1081357107.db2.gz HGFMFWVNNLYOGQ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863907 1081404405 /nfs/dbraw/zinc/40/44/05/1081404405.db2.gz AJAFKBGRPPONGH-KEGWNNHHSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269985046 1081418091 /nfs/dbraw/zinc/41/80/91/1081418091.db2.gz AFKHLXOVXOLUSI-BRWVUGGUSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001270087978 1081447282 /nfs/dbraw/zinc/44/72/82/1081447282.db2.gz HDBUJYIUJVJKRY-GOSISDBHSA-N 2 0 315.461 2.310 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001270138457 1081458191 /nfs/dbraw/zinc/45/81/91/1081458191.db2.gz SCUAQKYEXGTFKS-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001669968214 1081485000 /nfs/dbraw/zinc/48/50/00/1081485000.db2.gz VUQPKMGEEHDICS-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001670118721 1081497264 /nfs/dbraw/zinc/49/72/64/1081497264.db2.gz XDKGZOUPVKZBGG-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001671536213 1081522137 /nfs/dbraw/zinc/52/21/37/1081522137.db2.gz MGMGYUFPVUFWJO-ROUUACIJSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001673598031 1081784551 /nfs/dbraw/zinc/78/45/51/1081784551.db2.gz XZNKCPOOIIDSFZ-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001482400798 1081793106 /nfs/dbraw/zinc/79/31/06/1081793106.db2.gz QLHOFMMDZXINRZ-ZWKOTPCHSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001482411738 1081800024 /nfs/dbraw/zinc/80/00/24/1081800024.db2.gz AAECLBWSIKLVLM-ROUUACIJSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001111408444 1081820652 /nfs/dbraw/zinc/82/06/52/1081820652.db2.gz YYQAECYQXCILFV-VQHPVUNQSA-N 2 0 305.466 2.158 20 30 DEEDRP CCNC(NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)=[NH+]CC ZINC000718001547 1081863019 /nfs/dbraw/zinc/86/30/19/1081863019.db2.gz QNGOBENOLQRSLV-QGZVFWFLSA-N 2 0 302.466 2.472 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001674486392 1081880244 /nfs/dbraw/zinc/88/02/44/1081880244.db2.gz JZEMMIQIVOVUJF-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001266275409 1081933215 /nfs/dbraw/zinc/93/32/15/1081933215.db2.gz YDNBTWXQYBUCSK-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001482469956 1081943231 /nfs/dbraw/zinc/94/32/31/1081943231.db2.gz FRYYZCVMTIMLNB-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001271215303 1081992220 /nfs/dbraw/zinc/99/22/20/1081992220.db2.gz DZSPMXGKUFOCPA-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001271339352 1082015003 /nfs/dbraw/zinc/01/50/03/1082015003.db2.gz BTKGIPUDCIRKTB-QGZVFWFLSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001271499485 1082064612 /nfs/dbraw/zinc/06/46/12/1082064612.db2.gz MUFFOABJPJMQOH-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001271507500 1082068809 /nfs/dbraw/zinc/06/88/09/1082068809.db2.gz HGLWPSOTEJTSDS-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001482495846 1082120971 /nfs/dbraw/zinc/12/09/71/1082120971.db2.gz SWHLRFKYIVKTST-SJORKVTESA-N 2 0 321.509 2.204 20 30 DEEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266562757 1082161095 /nfs/dbraw/zinc/16/10/95/1082161095.db2.gz MVOVEMIEDAKESN-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266603910 1082189169 /nfs/dbraw/zinc/18/91/69/1082189169.db2.gz JATLOVONLDTMJB-SHTZXODSSA-N 2 0 312.417 2.459 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266632955 1082234613 /nfs/dbraw/zinc/23/46/13/1082234613.db2.gz XIQHZPMRJBFWQZ-WKILWMFISA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001266640703 1082240936 /nfs/dbraw/zinc/24/09/36/1082240936.db2.gz ZMFKBYZRZRQGLN-QAQDUYKDSA-N 2 0 301.434 2.175 20 30 DEEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001480904487 1082471093 /nfs/dbraw/zinc/47/10/93/1082471093.db2.gz HVURHMSSYDXDAT-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001505950944 1082546729 /nfs/dbraw/zinc/54/67/29/1082546729.db2.gz OHYVVZDSMYBURB-OAHLLOKOSA-N 2 0 307.482 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001409773499 1083051226 /nfs/dbraw/zinc/05/12/26/1083051226.db2.gz DNCXQMRLRXSLSU-UHFFFAOYSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276885423 1083664378 /nfs/dbraw/zinc/66/43/78/1083664378.db2.gz LGVCGPOUFCQAPC-IEBWSBKVSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001272786712 1084052704 /nfs/dbraw/zinc/05/27/04/1084052704.db2.gz UBXRFHOELSALLZ-XSLAGTTESA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001670918631 1084141303 /nfs/dbraw/zinc/14/13/03/1084141303.db2.gz KVCRMSXAHBKYEL-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH2+]C12CC(C(=O)N(C)CC[NH+](CC)CC)(C1)C2 ZINC001277779513 1084145389 /nfs/dbraw/zinc/14/53/89/1084145389.db2.gz JLAHEQXFGQSVJP-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001670940252 1084159061 /nfs/dbraw/zinc/15/90/61/1084159061.db2.gz RYRQSJXTDQMAFP-ALOPSCKCSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC=C(C)C ZINC001491252439 1084182886 /nfs/dbraw/zinc/18/28/86/1084182886.db2.gz OBUMBYQINZPOIF-ROUUACIJSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001670984534 1084183777 /nfs/dbraw/zinc/18/37/77/1084183777.db2.gz AVCZRNBHZQJFCL-GOSISDBHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCOc1ccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235007441 1084269998 /nfs/dbraw/zinc/26/99/98/1084269998.db2.gz OAKHLDJWTFKNIA-LJQANCHMSA-N 2 0 316.445 2.453 20 30 DEEDRP C=CCOc1ccccc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235008712 1084270355 /nfs/dbraw/zinc/27/03/55/1084270355.db2.gz QDXGILQWRJZGNT-LJQANCHMSA-N 2 0 316.445 2.453 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001078768854 1084864019 /nfs/dbraw/zinc/86/40/19/1084864019.db2.gz XNPMERWCJOQEHK-IAGOWNOFSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001486137997 1085083963 /nfs/dbraw/zinc/08/39/63/1085083963.db2.gz WMWJNWUMARINOA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001486160007 1085099754 /nfs/dbraw/zinc/09/97/54/1085099754.db2.gz FDXRXFLRGMWKNT-GVDBMIGSSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960151900 1085129760 /nfs/dbraw/zinc/12/97/60/1085129760.db2.gz RXXBFZSBDRUDDL-FICVDOATSA-N 2 0 319.474 2.046 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000964166463 1085170253 /nfs/dbraw/zinc/17/02/53/1085170253.db2.gz IOKJWBFCJJAXHZ-RFSHTEQGSA-N 2 0 319.493 2.310 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001486415981 1085302893 /nfs/dbraw/zinc/30/28/93/1085302893.db2.gz HMOKMYVXRXOIKY-IAGOWNOFSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000965424944 1085603958 /nfs/dbraw/zinc/60/39/58/1085603958.db2.gz PECOMWHWKYBEIY-IOAIVIQVSA-N 2 0 317.477 2.206 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC000962268016 1086045195 /nfs/dbraw/zinc/04/51/95/1086045195.db2.gz CKGNTJZNTOTZFE-XDNAFOTISA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273128139 1086290478 /nfs/dbraw/zinc/29/04/78/1086290478.db2.gz OSYUTYHPYNDEGR-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315771 1086405199 /nfs/dbraw/zinc/40/51/99/1086405199.db2.gz YMKRXIRCSFUKBP-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001273147016 1086998062 /nfs/dbraw/zinc/99/80/62/1086998062.db2.gz VGWJVGMXIQVZBC-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114770548 1088461241 /nfs/dbraw/zinc/46/12/41/1088461241.db2.gz WYIUYANNMFJEQG-PIIMJCKOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702104 1090402883 /nfs/dbraw/zinc/40/28/83/1090402883.db2.gz HEBRPJZIOJHYJN-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085033242 1090604714 /nfs/dbraw/zinc/60/47/14/1090604714.db2.gz XGOPXXRODROSHN-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049457 1090617154 /nfs/dbraw/zinc/61/71/54/1090617154.db2.gz BIJBMXATMYDQKN-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276032894 1091131193 /nfs/dbraw/zinc/13/11/93/1091131193.db2.gz QGZCUMNQPWRBCW-WBVHZDCISA-N 2 0 312.461 2.451 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001274398657 1091223562 /nfs/dbraw/zinc/22/35/62/1091223562.db2.gz UATFCBIJEXURNN-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001276042059 1091472673 /nfs/dbraw/zinc/47/26/73/1091472673.db2.gz VJDUGGRVXIFRRP-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001274959564 1091493391 /nfs/dbraw/zinc/49/33/91/1091493391.db2.gz ZXNBRZROVZGEHX-KSZLIROESA-N 2 0 317.477 2.112 20 30 DEEDRP C#Cc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001275132619 1091576325 /nfs/dbraw/zinc/57/63/25/1091576325.db2.gz YYESAFRZPWBOGN-UHFFFAOYSA-N 2 0 311.473 2.127 20 30 DEEDRP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001273554145 1091919668 /nfs/dbraw/zinc/91/96/68/1091919668.db2.gz PBVQYRCIHGQQFQ-IRXDYDNUSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191541878 1091959368 /nfs/dbraw/zinc/95/93/68/1091959368.db2.gz CPMSOOBAOKQKOT-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001273796137 1092054011 /nfs/dbraw/zinc/05/40/11/1092054011.db2.gz YCJPMFGSNNREOL-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2ccnc2C)C1 ZINC001488968067 1092855549 /nfs/dbraw/zinc/85/55/49/1092855549.db2.gz LNUFOEZPKDHXEZ-JKSUJKDBSA-N 2 0 304.438 2.032 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001489118973 1092929258 /nfs/dbraw/zinc/92/92/58/1092929258.db2.gz UKRMQMKFKABKAZ-OWCLPIDISA-N 2 0 313.461 2.212 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001489239825 1093001085 /nfs/dbraw/zinc/00/10/85/1093001085.db2.gz IJGAKTYDQQHIRS-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001490664368 1093473274 /nfs/dbraw/zinc/47/32/74/1093473274.db2.gz IKJMJRDQIMMNHH-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001278034187 1138469797 /nfs/dbraw/zinc/46/97/97/1138469797.db2.gz LIIFTMJOQAICSH-OAHLLOKOSA-N 2 0 319.449 2.195 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001238104339 1138822620 /nfs/dbraw/zinc/82/26/20/1138822620.db2.gz LLENMMKDIGOUEG-LJQANCHMSA-N 2 0 324.428 2.335 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316656635 1139233436 /nfs/dbraw/zinc/23/34/36/1139233436.db2.gz DSPCUPSOADXUIF-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001318567476 1140365351 /nfs/dbraw/zinc/36/53/51/1140365351.db2.gz LNLIQPGGWFXLFR-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001319207678 1140526135 /nfs/dbraw/zinc/52/61/35/1140526135.db2.gz UKDLDOWDPUCMEX-OAHLLOKOSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001319378570 1140559313 /nfs/dbraw/zinc/55/93/13/1140559313.db2.gz DHQQCPMRPYDLBO-IAGOWNOFSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001319693333 1140667015 /nfs/dbraw/zinc/66/70/15/1140667015.db2.gz BPQFVBIJBXWIGP-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001319695908 1140670242 /nfs/dbraw/zinc/67/02/42/1140670242.db2.gz ILHGJDZQBYFLHO-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001278408582 1140711410 /nfs/dbraw/zinc/71/14/10/1140711410.db2.gz FXNDAKQGZRPIQQ-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001320187766 1140836554 /nfs/dbraw/zinc/83/65/54/1140836554.db2.gz WWOXMNMSFRFSRC-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@]1(O)CCCC[NH2+]C1 ZINC001245977137 1140840698 /nfs/dbraw/zinc/84/06/98/1140840698.db2.gz VOJPFZZLAXMGOM-DLBZAZTESA-N 2 0 300.487 2.192 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245982211 1140841374 /nfs/dbraw/zinc/84/13/74/1140841374.db2.gz JDZMXYAKFIFWOZ-BRSBDYLESA-N 2 0 312.498 2.455 20 30 DEEDRP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321211539 1141086338 /nfs/dbraw/zinc/08/63/38/1141086338.db2.gz ZZPIGMKLDYYHBZ-TUYSUELWSA-N 2 0 305.466 2.232 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001324071188 1142001157 /nfs/dbraw/zinc/00/11/57/1142001157.db2.gz FEBWVBJMHOQPPQ-HOCLYGCPSA-N 2 0 324.428 2.249 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001324439484 1142077251 /nfs/dbraw/zinc/07/72/51/1142077251.db2.gz JDQNDBFCXGDZEB-QGZVFWFLSA-N 2 0 321.509 2.301 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001278573889 1142219089 /nfs/dbraw/zinc/21/90/89/1142219089.db2.gz ZZYNCDXQLUJLNP-MRXNPFEDSA-N 2 0 315.889 2.299 20 30 DEEDRP C=CCC[C@@H](O)C[NH2+]CCSCc1ccc(C[NH+](C)C)o1 ZINC001252588488 1142773540 /nfs/dbraw/zinc/77/35/40/1142773540.db2.gz APHOMVCGSVLLBZ-CQSZACIVSA-N 2 0 312.479 2.491 20 30 DEEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254662233 1143304030 /nfs/dbraw/zinc/30/40/30/1143304030.db2.gz DFMLVEPFSYSWKM-ZSYWTGECSA-N 2 0 317.477 2.359 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001264125595 1144476148 /nfs/dbraw/zinc/47/61/48/1144476148.db2.gz NIOQDBJWTNAWLT-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001264435372 1144538993 /nfs/dbraw/zinc/53/89/93/1144538993.db2.gz HICNWHNEFKCCTM-VQHPVUNQSA-N 2 0 305.466 2.064 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC)C2)CC1 ZINC001264492634 1144546373 /nfs/dbraw/zinc/54/63/73/1144546373.db2.gz XZSANRPWLXRELJ-FUHWJXTLSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001265091935 1144641607 /nfs/dbraw/zinc/64/16/07/1144641607.db2.gz MBXBDMIHBZLIAX-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265114712 1144647682 /nfs/dbraw/zinc/64/76/82/1144647682.db2.gz LTTATLPHUADGCI-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265390588 1144701454 /nfs/dbraw/zinc/70/14/54/1144701454.db2.gz ILHMMLDBECXJMN-DLBZAZTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001265543620 1144710680 /nfs/dbraw/zinc/71/06/80/1144710680.db2.gz OEZVBORFMLMYRY-UXLLHSPISA-N 2 0 305.466 2.206 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265572229 1144712812 /nfs/dbraw/zinc/71/28/12/1144712812.db2.gz BDZHMJAMAUKJHW-IXDOHACOSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265587145 1144715526 /nfs/dbraw/zinc/71/55/26/1144715526.db2.gz WWBRPQQEVMMZIA-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001265616177 1144718296 /nfs/dbraw/zinc/71/82/96/1144718296.db2.gz XDSRKWUKVGESJJ-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266067303 1144802278 /nfs/dbraw/zinc/80/22/78/1144802278.db2.gz KTESAJSXGAIDAS-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266194874 1144812767 /nfs/dbraw/zinc/81/27/67/1144812767.db2.gz JDICHYZSVQFVLL-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[N@H+]1CC=C(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001279694832 1144827262 /nfs/dbraw/zinc/82/72/62/1144827262.db2.gz FIZSFLWEOSLQNT-UHFFFAOYSA-N 2 0 317.477 2.024 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001280074077 1144831809 /nfs/dbraw/zinc/83/18/09/1144831809.db2.gz SRBANGXRBIDIOU-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001282667257 1145118880 /nfs/dbraw/zinc/11/88/80/1145118880.db2.gz PHOOMLPDRXMQJM-HZPDHXFCSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001282810515 1145168595 /nfs/dbraw/zinc/16/85/95/1145168595.db2.gz JQZFBCXYFAQSFG-LSDHHAIUSA-N 2 0 313.461 2.069 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001283340032 1145368906 /nfs/dbraw/zinc/36/89/06/1145368906.db2.gz FFGLGJQICMSLST-CVEARBPZSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001283509582 1145485960 /nfs/dbraw/zinc/48/59/60/1145485960.db2.gz VLSICXISMROCHO-BFYDXBDKSA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001283532671 1145503181 /nfs/dbraw/zinc/50/31/81/1145503181.db2.gz OYEIIOHKHDKGJW-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001284720205 1145894966 /nfs/dbraw/zinc/89/49/66/1145894966.db2.gz WLZYZWKUFAGFBJ-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC1([NH+]2CCOCC2)CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC001365615589 1145916611 /nfs/dbraw/zinc/91/66/11/1145916611.db2.gz KLHNJMJBLRIMMY-UHFFFAOYSA-N 2 0 320.462 2.138 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001284846343 1145936863 /nfs/dbraw/zinc/93/68/63/1145936863.db2.gz OMROPDQFBFSXPD-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001284949136 1145989110 /nfs/dbraw/zinc/98/91/10/1145989110.db2.gz QBYRASNLJZDYDQ-INIZCTEOSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001491829148 1146906228 /nfs/dbraw/zinc/90/62/28/1146906228.db2.gz GCCANKWMAGOMHT-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317064095 1147582559 /nfs/dbraw/zinc/58/25/59/1147582559.db2.gz NVOWFTAQPSOXJB-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316877354 1147619316 /nfs/dbraw/zinc/61/93/16/1147619316.db2.gz JXTRXKBDBPNTID-SJORKVTESA-N 2 0 321.509 2.347 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001316927388 1147633255 /nfs/dbraw/zinc/63/32/55/1147633255.db2.gz OJCFCANGLYDTIE-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001316978029 1147642122 /nfs/dbraw/zinc/64/21/22/1147642122.db2.gz NMDGLZRGSRMISR-BRWVUGGUSA-N 2 0 309.498 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001367143734 1147655690 /nfs/dbraw/zinc/65/56/90/1147655690.db2.gz XLACVDAVKGOSRA-OAHLLOKOSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317093176 1147658785 /nfs/dbraw/zinc/65/87/85/1147658785.db2.gz NUKHTTLKYORXDX-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317363903 1147696510 /nfs/dbraw/zinc/69/65/10/1147696510.db2.gz QELSLKJRQJDSQT-ZWKOTPCHSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001317450872 1147710777 /nfs/dbraw/zinc/71/07/77/1147710777.db2.gz YLCMFHNJRSLOFR-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001317685180 1147743849 /nfs/dbraw/zinc/74/38/49/1147743849.db2.gz FYADOOGLCHEAIP-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317791846 1147752778 /nfs/dbraw/zinc/75/27/78/1147752778.db2.gz DJUSFISFLVVUAS-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001325656006 1147977899 /nfs/dbraw/zinc/97/78/99/1147977899.db2.gz JLLQFRZAXHDICI-QAQDUYKDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001325661614 1147978940 /nfs/dbraw/zinc/97/89/40/1147978940.db2.gz CCQVPXVHSCEQMY-BRWVUGGUSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001326557912 1148143307 /nfs/dbraw/zinc/14/33/07/1148143307.db2.gz FTIHEWGPUFRLPC-IYARVYRRSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001326603291 1148158910 /nfs/dbraw/zinc/15/89/10/1148158910.db2.gz KEHFCAGTSZTIPL-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001368099014 1148219038 /nfs/dbraw/zinc/21/90/38/1148219038.db2.gz JLWMBIIYWZPOPG-HUUCEWRRSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001353469117 1151832568 /nfs/dbraw/zinc/83/25/68/1151832568.db2.gz NZQCMFKXOYYAFI-MRXNPFEDSA-N 2 0 305.422 2.249 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cn2)CC1 ZINC000192645201 529777501 /nfs/dbraw/zinc/77/75/01/529777501.db2.gz GMSQCJDMZAGZMH-WBVHZDCISA-N 2 0 313.449 2.005 20 30 DEEDRP CN1CC[NH+]=C1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262689577 529778821 /nfs/dbraw/zinc/77/88/21/529778821.db2.gz ZUNIKGVHJPPTGF-DOMZBBRYSA-N 2 0 324.831 2.363 20 30 DEEDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000181857385 199363200 /nfs/dbraw/zinc/36/32/00/199363200.db2.gz HCBPIXLSMWZRFS-OAHLLOKOSA-N 2 0 300.450 2.235 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000424155230 283051897 /nfs/dbraw/zinc/05/18/97/283051897.db2.gz MOKMSWNFNFLBCL-IAGOWNOFSA-N 2 0 320.481 2.122 20 30 DEEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000589336484 357465378 /nfs/dbraw/zinc/46/53/78/357465378.db2.gz KJKCXRHVBALBGM-SFHVURJKSA-N 2 0 312.461 2.161 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)nc1 ZINC000591570799 357736478 /nfs/dbraw/zinc/73/64/78/357736478.db2.gz PNGSHMUEUBTJHF-DLBZAZTESA-N 2 0 313.449 2.172 20 30 DEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000591573421 357737141 /nfs/dbraw/zinc/73/71/41/357737141.db2.gz VCOYEHUPRJQMNZ-BHYGNILZSA-N 2 0 319.836 2.458 20 30 DEEDRP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436634 358270245 /nfs/dbraw/zinc/27/02/45/358270245.db2.gz PALBODIEGXIFBF-INIZCTEOSA-N 2 0 308.470 2.121 20 30 DEEDRP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594442032 358272181 /nfs/dbraw/zinc/27/21/81/358272181.db2.gz ZTHWIMQJUORUPT-DLBZAZTESA-N 2 0 322.497 2.270 20 30 DEEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719821 359303989 /nfs/dbraw/zinc/30/39/89/359303989.db2.gz JIZVWJKWWZSXCP-MRXNPFEDSA-N 2 0 319.449 2.017 20 30 DEEDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000281178050 216133227 /nfs/dbraw/zinc/13/32/27/216133227.db2.gz ARCUBVXTKWJTRF-UHFFFAOYSA-N 2 0 314.433 2.305 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)CCC#N)CC2)CC1 ZINC000602699045 360505068 /nfs/dbraw/zinc/50/50/68/360505068.db2.gz PUIVJUANUQECQG-KRWDZBQOSA-N 2 0 306.498 2.418 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000669385678 540823145 /nfs/dbraw/zinc/82/31/45/540823145.db2.gz VUWIHQDUHBCCRS-IRXDYDNUSA-N 2 0 322.497 2.126 20 30 DEEDRP C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000611392148 361589184 /nfs/dbraw/zinc/58/91/84/361589184.db2.gz MXVNEAWRLIHTSI-BEFAXECRSA-N 2 0 312.461 2.161 20 30 DEEDRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000282497287 217041188 /nfs/dbraw/zinc/04/11/88/217041188.db2.gz XWQAODWIYJCCJA-HNNXBMFYSA-N 2 0 300.450 2.235 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC)C[C@H]2CC)CC1 ZINC000458314583 248257616 /nfs/dbraw/zinc/25/76/16/248257616.db2.gz FAWFCZZWZVBXFB-QGZVFWFLSA-N 2 0 322.497 2.153 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000564826195 292113561 /nfs/dbraw/zinc/11/35/61/292113561.db2.gz DXKZRYUEHNBNLP-QDIHITRGSA-N 2 0 300.406 2.113 20 30 DEEDRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C#N)cc1F ZINC000358559837 147156763 /nfs/dbraw/zinc/15/67/63/147156763.db2.gz DNYPIVLCQAAQJF-CYBMUJFWSA-N 2 0 305.397 2.052 20 30 DEEDRP C#CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000113340786 401776968 /nfs/dbraw/zinc/77/69/68/401776968.db2.gz DWTIMCKUZPQSOQ-SFHVURJKSA-N 2 0 316.445 2.025 20 30 DEEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000071124230 402269491 /nfs/dbraw/zinc/26/94/91/402269491.db2.gz BYEHTFLUWYAYHK-OAHLLOKOSA-N 2 0 303.450 2.309 20 30 DEEDRP CC[NH+]=C(NCc1cnc(C)s1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158295582 402303717 /nfs/dbraw/zinc/30/37/17/402303717.db2.gz UAGOOGYDPLMZFH-WFASDCNBSA-N 2 0 323.510 2.235 20 30 DEEDRP C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158335196 402304381 /nfs/dbraw/zinc/30/43/81/402304381.db2.gz WOCGIDOCMATEPP-SMDDNHRTSA-N 2 0 323.510 2.154 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000176981888 402356606 /nfs/dbraw/zinc/35/66/06/402356606.db2.gz JJLISMBAKCWSPK-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccn1 ZINC000170912095 402540528 /nfs/dbraw/zinc/54/05/28/402540528.db2.gz GYXKOIZLHOFKEJ-KRWDZBQOSA-N 2 0 323.444 2.373 20 30 DEEDRP C#CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268409627 403080797 /nfs/dbraw/zinc/08/07/97/403080797.db2.gz HFYOLEUGFXWTPB-UHFFFAOYSA-N 2 0 316.445 2.024 20 30 DEEDRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000298388104 403371708 /nfs/dbraw/zinc/37/17/08/403371708.db2.gz FDEBWIVKCNSNQO-UHFFFAOYSA-N 2 0 318.465 2.094 20 30 DEEDRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286023561 403433118 /nfs/dbraw/zinc/43/31/18/403433118.db2.gz JXPHJHGYSVIJCR-HNNXBMFYSA-N 2 0 300.450 2.457 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000295090398 403757095 /nfs/dbraw/zinc/75/70/95/403757095.db2.gz UVULZCKJHIVWNU-KRWDZBQOSA-N 2 0 317.477 2.233 20 30 DEEDRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000328617304 404115050 /nfs/dbraw/zinc/11/50/50/404115050.db2.gz UBFGQJHWWBUZMC-QLFBSQMISA-N 2 0 319.453 2.137 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000349378095 404155717 /nfs/dbraw/zinc/15/57/17/404155717.db2.gz KZFDOKIHTPWFAI-HUUCEWRRSA-N 2 0 318.440 2.374 20 30 DEEDRP C=CCNC(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290636051 404250628 /nfs/dbraw/zinc/25/06/28/404250628.db2.gz LQUNQQUXMWZSEV-QGZVFWFLSA-N 2 0 300.450 2.379 20 30 DEEDRP C=CCOc1ccc(CNC[C@@]2(COC)CCC[NH2+]2)cc1OC ZINC000414937618 404770262 /nfs/dbraw/zinc/77/02/62/404770262.db2.gz DIBOERRDXRWJSR-GOSISDBHSA-N 2 0 320.433 2.118 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1CC)C(C)C ZINC000353451050 404834539 /nfs/dbraw/zinc/83/45/39/404834539.db2.gz PHJBBUCKYUYRFF-YESZJQIVSA-N 2 0 307.482 2.189 20 30 DEEDRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424129419 405015170 /nfs/dbraw/zinc/01/51/70/405015170.db2.gz DICOPTOQITYFLM-QGZVFWFLSA-N 2 0 316.449 2.166 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000417059165 405022029 /nfs/dbraw/zinc/02/20/29/405022029.db2.gz HLXVGOXVROZKBO-SJLPKXTDSA-N 2 0 322.497 2.065 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)C(C)C ZINC000515654268 406075016 /nfs/dbraw/zinc/07/50/16/406075016.db2.gz KTXGJEIPMARVRQ-IAGOWNOFSA-N 2 0 307.482 2.333 20 30 DEEDRP C=CCOc1cccc(C[NH2+]C2(CCO)CCN(C)CC2)c1 ZINC000516980451 406118339 /nfs/dbraw/zinc/11/83/39/406118339.db2.gz YCTKJAOUJLPVFG-UHFFFAOYSA-N 2 0 304.434 2.188 20 30 DEEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000569803961 406304399 /nfs/dbraw/zinc/30/43/99/406304399.db2.gz GTCPLBAIUWYVEC-RYQLBKOJSA-N 2 0 318.461 2.227 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000571550761 406535099 /nfs/dbraw/zinc/53/50/99/406535099.db2.gz WVTQSJFTYCCPCP-LYAPFXNSSA-N 2 0 314.433 2.360 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCCCCC2)N1 ZINC000262478457 225272965 /nfs/dbraw/zinc/27/29/65/225272965.db2.gz CNXFUWQAYUPHHL-OAHLLOKOSA-N 2 0 300.450 2.500 20 30 DEEDRP [NH2+]=C(NCC1CCC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262529969 225276357 /nfs/dbraw/zinc/27/63/57/225276357.db2.gz MZARFRRLRAUARK-UHFFFAOYSA-N 2 0 324.538 2.443 20 30 DEEDRP C=CCCn1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000657311698 425299770 /nfs/dbraw/zinc/29/97/70/425299770.db2.gz RVOQIFVXLWXDFC-MRXNPFEDSA-N 2 0 305.470 2.456 20 30 DEEDRP C=CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661379748 425395522 /nfs/dbraw/zinc/39/55/22/425395522.db2.gz ICQOQYCJTASOGH-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000653110663 425408119 /nfs/dbraw/zinc/40/81/19/425408119.db2.gz PZMRQDIWECJCIR-SJORKVTESA-N 2 0 307.482 2.191 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000662744621 425726367 /nfs/dbraw/zinc/72/63/67/425726367.db2.gz ANUDQDPZFFSIAN-FUHWJXTLSA-N 2 0 305.466 2.019 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353241166 276335506 /nfs/dbraw/zinc/33/55/06/276335506.db2.gz LBFXGWRLSITUIG-WMZOPIPTSA-N 2 0 301.434 2.492 20 30 DEEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423018527 276909726 /nfs/dbraw/zinc/90/97/26/276909726.db2.gz RJPQACGURVOKOV-LESCRADOSA-N 2 0 302.418 2.017 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)C(C)C ZINC000417072279 277851151 /nfs/dbraw/zinc/85/11/51/277851151.db2.gz XEDYXCFWSJMDJG-YESZJQIVSA-N 2 0 322.497 2.077 20 30 DEEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000329800391 288125362 /nfs/dbraw/zinc/12/53/62/288125362.db2.gz INESAEMIGJZIPQ-IUODEOHRSA-N 2 0 322.497 2.282 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001378378346 1152310129 /nfs/dbraw/zinc/31/01/29/1152310129.db2.gz HVXXWDMTFGSBJP-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001329860301 1149005170 /nfs/dbraw/zinc/00/51/70/1149005170.db2.gz BOVWALOTJPYRMT-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089056803 782141651 /nfs/dbraw/zinc/14/16/51/782141651.db2.gz VRSXWMFNGWUWBM-PBHICJAKSA-N 2 0 301.434 2.127 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000340123915 527649453 /nfs/dbraw/zinc/64/94/53/527649453.db2.gz ZNNACLBCAJSSDM-YESZJQIVSA-N 2 0 307.482 2.176 20 30 DEEDRP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264118721 527955207 /nfs/dbraw/zinc/95/52/07/527955207.db2.gz UHEHLWKSCCCYNT-QGZVFWFLSA-N 2 0 302.466 2.111 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCCCC2)O1 ZINC000262357568 529101419 /nfs/dbraw/zinc/10/14/19/529101419.db2.gz JPIINMWTCYUMGQ-HOTGVXAUSA-N 2 0 322.497 2.257 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCCC[NH+]2CCOCC2)c1 ZINC000264115567 529176228 /nfs/dbraw/zinc/17/62/28/529176228.db2.gz SMSVJMWZUORWDV-UHFFFAOYSA-N 2 0 304.438 2.088 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001330599854 1149207538 /nfs/dbraw/zinc/20/75/38/1149207538.db2.gz SUJXPNPYPWITJT-AHCXZYCDSA-N 2 0 319.493 2.167 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694841 625390767 /nfs/dbraw/zinc/39/07/67/625390767.db2.gz MGEWQAAJGKCKOJ-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008280142 625419689 /nfs/dbraw/zinc/41/96/89/625419689.db2.gz RURVPSANTWIUCT-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000170913308 625472552 /nfs/dbraw/zinc/47/25/52/625472552.db2.gz UUXLXMBQYWFXLY-CABCVRRESA-N 2 0 318.465 2.220 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001026507123 625488633 /nfs/dbraw/zinc/48/86/33/625488633.db2.gz MWDKNQAUVCEDHS-HTWSVDAQSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001026519469 625495198 /nfs/dbraw/zinc/49/51/98/625495198.db2.gz KKDCQRJIAYYAJJ-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001026609907 625562599 /nfs/dbraw/zinc/56/25/99/625562599.db2.gz YKGIXTNUCCZIEL-UHFFFAOYSA-N 2 0 313.445 2.012 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969832842 622942471 /nfs/dbraw/zinc/94/24/71/622942471.db2.gz JWDUBRBUHLMMRX-SJORKVTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833092 622942523 /nfs/dbraw/zinc/94/25/23/622942523.db2.gz LPNGSHFCIHHWDU-YJBOKZPZSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970025905 623066041 /nfs/dbraw/zinc/06/60/41/623066041.db2.gz ALNHCBUOAMLDTR-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021670228 623929325 /nfs/dbraw/zinc/92/93/25/623929325.db2.gz JMVLBASDNAWVAZ-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000891522506 624467452 /nfs/dbraw/zinc/46/74/52/624467452.db2.gz QYHDZTPXBVSQTF-SFHVURJKSA-N 2 0 322.497 2.043 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971683046 624504968 /nfs/dbraw/zinc/50/49/68/624504968.db2.gz SCFIMMKSOCNGDM-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845746 624642339 /nfs/dbraw/zinc/64/23/39/624642339.db2.gz ZYFMWBSCPUEUJE-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C[NH+]=C(NCc1ccoc1)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000176322154 624711820 /nfs/dbraw/zinc/71/18/20/624711820.db2.gz KHFJYXKJXGNFGJ-PBHICJAKSA-N 2 0 306.454 2.455 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506891 624928026 /nfs/dbraw/zinc/92/80/26/624928026.db2.gz UDJIOKRTTQGBJY-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024751024 625035163 /nfs/dbraw/zinc/03/51/63/625035163.db2.gz AYVFVSNVHCRSBC-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP 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 625135612 /nfs/dbraw/zinc/13/56/12/625135612.db2.gz SPQOHEWPBIDSPH-QXDIGNSFSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342022 625221012 /nfs/dbraw/zinc/22/10/12/625221012.db2.gz CWPQEBWWXNWJHT-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023449936 625273165 /nfs/dbraw/zinc/27/31/65/625273165.db2.gz CAYBPIFCDFFYIJ-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455926 625277804 /nfs/dbraw/zinc/27/78/04/625277804.db2.gz UGHSWEDUIWCLEW-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024523372 625837624 /nfs/dbraw/zinc/83/76/24/625837624.db2.gz PVLDNGCUQHQYJP-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024620426 625938192 /nfs/dbraw/zinc/93/81/92/625938192.db2.gz UNQHZVZADRLDKH-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142535 634492628 /nfs/dbraw/zinc/49/26/28/634492628.db2.gz AWXLNQUXOOCVBD-LSDHHAIUSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999788142 634682514 /nfs/dbraw/zinc/68/25/14/634682514.db2.gz BMOJRRUPOXEJKU-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999972523 634712380 /nfs/dbraw/zinc/71/23/80/634712380.db2.gz GHLJGOQWKBCBIL-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC000996381368 633251085 /nfs/dbraw/zinc/25/10/85/633251085.db2.gz VBPZTZAOOPDYFK-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 633382149 /nfs/dbraw/zinc/38/21/49/633382149.db2.gz SCGQSSLNTPDWJP-JYJNAYRXSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000996753753 633390409 /nfs/dbraw/zinc/39/04/09/633390409.db2.gz TYGWBRINBQQZFZ-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050463 633497436 /nfs/dbraw/zinc/49/74/36/633497436.db2.gz LPSBVNFLRRAQAH-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997006315 633559425 /nfs/dbraw/zinc/55/94/25/633559425.db2.gz KTOAEWQGKXTPAJ-UHFFFAOYSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997180762 633669596 /nfs/dbraw/zinc/66/95/96/633669596.db2.gz MSSZDKIFZPLPDV-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997206658 633681919 /nfs/dbraw/zinc/68/19/19/633681919.db2.gz YDCJWNKXQYPNPW-OAHLLOKOSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027614845 634292569 /nfs/dbraw/zinc/29/25/69/634292569.db2.gz GPAZLOABJKGZOS-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980486677 635018775 /nfs/dbraw/zinc/01/87/75/635018775.db2.gz VMJMNFDYTJJGEF-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000981434479 635478352 /nfs/dbraw/zinc/47/83/52/635478352.db2.gz UKEGLUREZAOVRB-SJORKVTESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001002042306 635611496 /nfs/dbraw/zinc/61/14/96/635611496.db2.gz FKUUBVHOBBWKGP-UHFFFAOYSA-N 2 0 316.449 2.166 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981767082 635635733 /nfs/dbraw/zinc/63/57/33/635635733.db2.gz HJGRNUWFESWRFS-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001002955310 635860351 /nfs/dbraw/zinc/86/03/51/635860351.db2.gz KITFFVPPDNWCAH-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP 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 635943572 /nfs/dbraw/zinc/94/35/72/635943572.db2.gz ZYINNSBMYBRRMX-RWQQGDIJSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292612 635950334 /nfs/dbraw/zinc/95/03/34/635950334.db2.gz QOLVKQFIMDTGCI-QRQLOZEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003775960 636050955 /nfs/dbraw/zinc/05/09/55/636050955.db2.gz DCGZYHBFKRQVCG-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)c2cnccc2N(C)C)CC1 ZINC001003983332 636109376 /nfs/dbraw/zinc/10/93/76/636109376.db2.gz KBZSLNQAYRDZNN-UHFFFAOYSA-N 2 0 316.449 2.308 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001004367416 636394306 /nfs/dbraw/zinc/39/43/06/636394306.db2.gz CMXOMSHXNSJOET-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001005390850 636730526 /nfs/dbraw/zinc/73/05/26/636730526.db2.gz MQCOKXBRKIETFZ-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005715257 636827923 /nfs/dbraw/zinc/82/79/23/636827923.db2.gz ZHFHBHCJTADANQ-UHFFFAOYSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946859205 636965228 /nfs/dbraw/zinc/96/52/28/636965228.db2.gz NUDDBSUXLSLJSD-OKZBNKHCSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946859204 636965421 /nfs/dbraw/zinc/96/54/21/636965421.db2.gz NUDDBSUXLSLJSD-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP CN1CCC[NH+]=C1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000263116028 640059957 /nfs/dbraw/zinc/05/99/57/640059957.db2.gz LMWNLQOHIZWCFN-QGZVFWFLSA-N 2 0 300.450 2.178 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000763928755 640585983 /nfs/dbraw/zinc/58/59/83/640585983.db2.gz WVDRZJMKCAIPFF-OAHLLOKOSA-N 2 0 305.422 2.041 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000764614152 640663798 /nfs/dbraw/zinc/66/37/98/640663798.db2.gz TVJHOLTZFABUEA-AEFFLSMTSA-N 2 0 315.461 2.274 20 30 DEEDRP C=CCN1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989459249 641063669 /nfs/dbraw/zinc/06/36/69/641063669.db2.gz URLRKMWBHNBYOG-LJQANCHMSA-N 2 0 315.461 2.184 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483226 641121025 /nfs/dbraw/zinc/12/10/25/641121025.db2.gz PSZWBKFTLQDTDE-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989729960 641211397 /nfs/dbraw/zinc/21/13/97/641211397.db2.gz IARZXSVFGFVBLP-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000900013956 642237046 /nfs/dbraw/zinc/23/70/46/642237046.db2.gz SSXJNYFFFNTLKB-SFHVURJKSA-N 2 0 315.461 2.448 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000900285026 642310009 /nfs/dbraw/zinc/31/00/09/642310009.db2.gz FEXOYAKRMUJGAJ-INIZCTEOSA-N 2 0 307.413 2.053 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477390 650749695 /nfs/dbraw/zinc/74/96/95/650749695.db2.gz SZBCTWNBZFASNF-SJORKVTESA-N 2 0 322.497 2.177 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000900987595 642538609 /nfs/dbraw/zinc/53/86/09/642538609.db2.gz GPXIPCVQACSWQJ-UHFFFAOYSA-N 2 0 309.479 2.146 20 30 DEEDRP CC[NH+](CC)CC#C[C@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000788202633 643577216 /nfs/dbraw/zinc/57/72/16/643577216.db2.gz GJJLOYIDSKNFNV-HNNXBMFYSA-N 2 0 306.450 2.138 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991858798 646671596 /nfs/dbraw/zinc/67/15/96/646671596.db2.gz HLCXMXOVENSFOW-FUHWJXTLSA-N 2 0 310.401 2.247 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000170913312 646675461 /nfs/dbraw/zinc/67/54/61/646675461.db2.gz UUXLXMBQYWFXLY-GJZGRUSLSA-N 2 0 318.465 2.220 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000991992960 646823035 /nfs/dbraw/zinc/82/30/35/646823035.db2.gz HCIUNWVMHPVABZ-ZIFCJYIRSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992175099 646886147 /nfs/dbraw/zinc/88/61/47/646886147.db2.gz TUGWZURDTPRTEB-QFBILLFUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992194290 646896769 /nfs/dbraw/zinc/89/67/69/646896769.db2.gz XMTAAQMQKMZYOB-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000992770130 647236804 /nfs/dbraw/zinc/23/68/04/647236804.db2.gz LYUCLHLANJIQGO-FHLIZLRMSA-N 2 0 324.428 2.351 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535336 647692503 /nfs/dbraw/zinc/69/25/03/647692503.db2.gz JDAVXNCCZUPCPD-WMLDXEAASA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221356 649024767 /nfs/dbraw/zinc/02/47/67/649024767.db2.gz RPBSPSXHAAPEQX-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856583884 651954454 /nfs/dbraw/zinc/95/44/54/651954454.db2.gz BCPDFFGYGGOABM-GOSISDBHSA-N 2 0 301.434 2.400 20 30 DEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304764605 685261155 /nfs/dbraw/zinc/26/11/55/685261155.db2.gz YFAKFNWFGBBYEI-HNNXBMFYSA-N 2 0 312.502 2.216 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000104159744 684058248 /nfs/dbraw/zinc/05/82/48/684058248.db2.gz REKZXDJNCUXBIR-GASCZTMLSA-N 2 0 318.465 2.475 20 30 DEEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCC[NH+]2CCN(C)CC2)c1 ZINC000104169845 684058781 /nfs/dbraw/zinc/05/87/81/684058781.db2.gz BTXHVRFMEHYSHS-UHFFFAOYSA-N 2 0 317.481 2.058 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164217 693867426 /nfs/dbraw/zinc/86/74/26/693867426.db2.gz DMPZKFZYYLQCHD-IBGZPJMESA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054197937 693879602 /nfs/dbraw/zinc/87/96/02/693879602.db2.gz LZXYETNYJREAPQ-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291987 693917517 /nfs/dbraw/zinc/91/75/17/693917517.db2.gz NVNQCRYLFFCPMJ-KRWDZBQOSA-N 2 0 313.445 2.146 20 30 DEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000303771960 685233434 /nfs/dbraw/zinc/23/34/34/685233434.db2.gz DCSDKQKGIRMVNK-QGZVFWFLSA-N 2 0 318.465 2.387 20 30 DEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000865523530 687245557 /nfs/dbraw/zinc/24/55/57/687245557.db2.gz MIQIFJORBYKHGK-UHFFFAOYSA-N 2 0 300.450 2.446 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016732556 687691977 /nfs/dbraw/zinc/69/19/77/687691977.db2.gz ZKTNZHFHHDMCNV-KRWDZBQOSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016794316 687704764 /nfs/dbraw/zinc/70/47/64/687704764.db2.gz VDRHPNBMBJONNY-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001016798399 687705115 /nfs/dbraw/zinc/70/51/15/687705115.db2.gz PTDDSLPNKADCGN-OAHLLOKOSA-N 2 0 317.433 2.112 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016982867 687749535 /nfs/dbraw/zinc/74/95/35/687749535.db2.gz MQZFBOCCOJGWIV-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001017600375 687920827 /nfs/dbraw/zinc/92/08/27/687920827.db2.gz IMXCAPBZWDFAAQ-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001017633369 687929020 /nfs/dbraw/zinc/92/90/20/687929020.db2.gz VYDOEMZVPWCYEZ-ZACQAIPSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133060 688060240 /nfs/dbraw/zinc/06/02/40/688060240.db2.gz QNMMRBVVENZMCO-HDICACEKSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001375744573 1158859636 /nfs/dbraw/zinc/85/96/36/1158859636.db2.gz AICSZNGAINSULI-QLFBSQMISA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028088832 688533123 /nfs/dbraw/zinc/53/31/23/688533123.db2.gz QPWKOBZKWUDONJ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223693 689430067 /nfs/dbraw/zinc/43/00/67/689430067.db2.gz TVTZVYYKIYRXCU-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223629 689430079 /nfs/dbraw/zinc/43/00/79/689430079.db2.gz RUCWLFIEKKRMNO-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033354053 689473800 /nfs/dbraw/zinc/47/38/00/689473800.db2.gz MJWMYKBQAIIFTP-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033549080 689538760 /nfs/dbraw/zinc/53/87/60/689538760.db2.gz VDFLNFIUVIGFHI-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684939 689583377 /nfs/dbraw/zinc/58/33/77/689583377.db2.gz JHSYKDRFHFTJPA-KRWDZBQOSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856724 689640780 /nfs/dbraw/zinc/64/07/80/689640780.db2.gz VYNAYYOAMGYKDU-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034212325 689764689 /nfs/dbraw/zinc/76/46/89/689764689.db2.gz XJOMYQYKQKZMRL-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284133 689793846 /nfs/dbraw/zinc/79/38/46/689793846.db2.gz HUJMDAUQLCEYSQ-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331939 689812462 /nfs/dbraw/zinc/81/24/62/689812462.db2.gz WBVSBYZHJGVPKX-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034433887 689848875 /nfs/dbraw/zinc/84/88/75/689848875.db2.gz HVHLKVQEMJECKO-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001034642528 689917242 /nfs/dbraw/zinc/91/72/42/689917242.db2.gz GPEUMMBOOMMYOJ-TVFCKZIOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1)C(C)C ZINC000876726463 689917647 /nfs/dbraw/zinc/91/76/47/689917647.db2.gz HNYKDERBFQSPLC-GBXWSJCFSA-N 2 0 319.493 2.357 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000876731679 689919211 /nfs/dbraw/zinc/91/92/11/689919211.db2.gz MZKXCVYOWLUDSB-CQSZACIVSA-N 2 0 301.862 2.035 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876737505 689921992 /nfs/dbraw/zinc/92/19/92/689921992.db2.gz RWKNWMPZWBJGAM-DGCLKSJQSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000877267603 690060943 /nfs/dbraw/zinc/06/09/43/690060943.db2.gz ZVHSNSISYYUSDA-HNNXBMFYSA-N 2 0 315.889 2.283 20 30 DEEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035214026 690062246 /nfs/dbraw/zinc/06/22/46/690062246.db2.gz VNVYJZIHPZDPBF-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036184565 690284223 /nfs/dbraw/zinc/28/42/23/690284223.db2.gz YSRUXKMKKKUWHX-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001036222967 690295009 /nfs/dbraw/zinc/29/50/09/690295009.db2.gz CTMIAPBSFJGMPY-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001036256186 690302656 /nfs/dbraw/zinc/30/26/56/690302656.db2.gz GEROSXFJJAXGQS-GOEBONIOSA-N 2 0 316.449 2.164 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036763179 690464222 /nfs/dbraw/zinc/46/42/22/690464222.db2.gz WPKLRWXNAZWZIW-AEFFLSMTSA-N 2 0 324.428 2.447 20 30 DEEDRP COCC[N@H+](CCc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000879127011 690573583 /nfs/dbraw/zinc/57/35/83/690573583.db2.gz PSRSUSAUEHAKPW-UHFFFAOYSA-N 2 0 315.461 2.391 20 30 DEEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247186 690602135 /nfs/dbraw/zinc/60/21/35/690602135.db2.gz PHZPZQXWCSQKGB-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037906802 690638082 /nfs/dbraw/zinc/63/80/82/690638082.db2.gz UJRQWBOPUDFQAW-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133106 691029935 /nfs/dbraw/zinc/02/99/35/691029935.db2.gz FLKRNCFBZKLJKR-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040201687 691213062 /nfs/dbraw/zinc/21/30/62/691213062.db2.gz NGLFISZTVDZIBQ-HKUYNNGSSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040263863 691222660 /nfs/dbraw/zinc/22/26/60/691222660.db2.gz JCYDGJIVYZUFBC-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001040831510 691290930 /nfs/dbraw/zinc/29/09/30/691290930.db2.gz UZBRKWKOEFPJAA-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041373795 691367724 /nfs/dbraw/zinc/36/77/24/691367724.db2.gz XSKJRRVEJWJPHN-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041670424 691407439 /nfs/dbraw/zinc/40/74/39/691407439.db2.gz HUQLNCJEZROBDJ-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041679842 691409749 /nfs/dbraw/zinc/40/97/49/691409749.db2.gz OZZKDZZTXKGLFU-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001041807980 691436251 /nfs/dbraw/zinc/43/62/51/691436251.db2.gz UWGXPNZARUQCOC-GOSISDBHSA-N 2 0 316.449 2.151 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216150 691538221 /nfs/dbraw/zinc/53/82/21/691538221.db2.gz MKXDCZLDRTWVRK-FUHWJXTLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044764686 691883768 /nfs/dbraw/zinc/88/37/68/691883768.db2.gz CJFVZBPDLNDMSO-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045478988 691987204 /nfs/dbraw/zinc/98/72/04/691987204.db2.gz LVDWCEFPEUPKOK-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585137 692001346 /nfs/dbraw/zinc/00/13/46/692001346.db2.gz NZJQUVUYFLKXJS-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)CC1(C#N)CCC1)CC2 ZINC000886305483 692050636 /nfs/dbraw/zinc/05/06/36/692050636.db2.gz IJSMUTPRCASTTJ-MRXNPFEDSA-N 2 0 305.466 2.239 20 30 DEEDRP C#CCN1CCC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886664358 692152381 /nfs/dbraw/zinc/15/23/81/692152381.db2.gz KARDRQJHGCJKKD-XBMUEBEBSA-N 2 0 303.494 2.471 20 30 DEEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319949 692152790 /nfs/dbraw/zinc/15/27/90/692152790.db2.gz YXKXWIUANBGSMO-QFBILLFUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048546073 692644222 /nfs/dbraw/zinc/64/42/22/692644222.db2.gz QSCGTTHWAOULNU-ACHSLPGTSA-N 2 0 324.428 2.493 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235799 692796778 /nfs/dbraw/zinc/79/67/78/692796778.db2.gz SCYLJAVXLGKWEO-KSZLIROESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001049509409 692904031 /nfs/dbraw/zinc/90/40/31/692904031.db2.gz UCBQDZZLQGKOIY-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049702211 692968449 /nfs/dbraw/zinc/96/84/49/692968449.db2.gz FXRWSOSMHHCCAJ-GVDBMIGSSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915122 693047373 /nfs/dbraw/zinc/04/73/73/693047373.db2.gz SOYWJBWRQGUYGR-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001050764550 693246268 /nfs/dbraw/zinc/24/62/68/693246268.db2.gz DNYFGUIKKGVTPY-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513509 693553904 /nfs/dbraw/zinc/55/39/04/693553904.db2.gz FETVDSJGZZVAGI-INIZCTEOSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591624 693574453 /nfs/dbraw/zinc/57/44/53/693574453.db2.gz PUBYGDNAEXUPMJ-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052712290 693600909 /nfs/dbraw/zinc/60/09/09/693600909.db2.gz GRJGUGLEVOOJQS-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763282 693614031 /nfs/dbraw/zinc/61/40/31/693614031.db2.gz GCQAZEOIHYOIKM-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001380159538 1152759437 /nfs/dbraw/zinc/75/94/37/1152759437.db2.gz YDKGOVGTINQLLY-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001382543935 1153467545 /nfs/dbraw/zinc/46/75/45/1153467545.db2.gz XOBFYVOEUYCPIH-UONOGXRCSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001370905274 1155626466 /nfs/dbraw/zinc/62/64/66/1155626466.db2.gz DZXOAJNPIILCCM-AWEZNQCLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001370905303 1155627038 /nfs/dbraw/zinc/62/70/38/1155627038.db2.gz DZXOAJNPIILCCM-CQSZACIVSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001371363151 1155834036 /nfs/dbraw/zinc/83/40/36/1155834036.db2.gz LDSIBRTZNRBHHB-CQSZACIVSA-N 2 0 323.868 2.251 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001373915962 1157457838 /nfs/dbraw/zinc/45/78/38/1157457838.db2.gz UVDNKZYFYFRNFL-MGPQQGTHSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001375588155 1158821764 /nfs/dbraw/zinc/82/17/64/1158821764.db2.gz SNLOSBFOJGKDLD-SNPRPXQTSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001375757972 1158862770 /nfs/dbraw/zinc/86/27/70/1158862770.db2.gz AGKPMEALBGTPHC-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001377760225 1160809672 /nfs/dbraw/zinc/80/96/72/1160809672.db2.gz NAFFYIDJTMEOPO-OAHLLOKOSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001404630096 1163762011 /nfs/dbraw/zinc/76/20/11/1163762011.db2.gz VLVJUQWLBVHKEI-HNNXBMFYSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001406706705 1164804419 /nfs/dbraw/zinc/80/44/19/1164804419.db2.gz BIAQTZUKACVDIW-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001421828713 1172022886 /nfs/dbraw/zinc/02/28/86/1172022886.db2.gz PEBWVRMSQPADPF-AWEZNQCLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001421960454 1172188032 /nfs/dbraw/zinc/18/80/32/1172188032.db2.gz SVAJCLHFQTYIPK-UHFFFAOYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001422689136 1172810242 /nfs/dbraw/zinc/81/02/42/1172810242.db2.gz KNWUBVLTOWWTGY-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001422919496 1172932627 /nfs/dbraw/zinc/93/26/27/1172932627.db2.gz PSEKFROQVGVZOT-GOEBONIOSA-N 2 0 323.868 2.478 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422999885 1173007505 /nfs/dbraw/zinc/00/75/05/1173007505.db2.gz XQRNPGYHGDYACP-LSDHHAIUSA-N 2 0 315.889 2.152 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001423669308 1173479369 /nfs/dbraw/zinc/47/93/69/1173479369.db2.gz CKCFPLYJNMFGEI-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001425950114 1174531242 /nfs/dbraw/zinc/53/12/42/1174531242.db2.gz HJTBPZFRSROJKK-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001438462109 1180446930 /nfs/dbraw/zinc/44/69/30/1180446930.db2.gz PHGLQIARUHITLK-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001441650521 1182114184 /nfs/dbraw/zinc/11/41/84/1182114184.db2.gz KJQRDGHBZZAUDK-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001444817093 1183567728 /nfs/dbraw/zinc/56/77/28/1183567728.db2.gz MIVHFYMMHBUDQF-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454250 782440677 /nfs/dbraw/zinc/44/06/77/782440677.db2.gz BFRXAMCQJFGJPT-UHFFFAOYSA-N 2 0 319.493 2.152 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001332414520 1149858199 /nfs/dbraw/zinc/85/81/99/1149858199.db2.gz ZQCUOAHCKUOIOO-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCC1)C(C)(C)C ZINC001332897599 1149919031 /nfs/dbraw/zinc/91/90/31/1149919031.db2.gz CYHGGBOOVOTLSE-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255909 782579398 /nfs/dbraw/zinc/57/93/98/782579398.db2.gz OOVGSNAATHZOEP-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106310721 782645716 /nfs/dbraw/zinc/64/57/16/782645716.db2.gz WKIYBDOGICKCCP-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001106378002 782678928 /nfs/dbraw/zinc/67/89/28/782678928.db2.gz BSOVHZSYARIPCC-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334929 782771762 /nfs/dbraw/zinc/77/17/62/782771762.db2.gz LOGOVOSNKZHMDX-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001099240648 782816433 /nfs/dbraw/zinc/81/64/33/782816433.db2.gz UHMAKPMYHLTBBK-MRXNPFEDSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633753 782819768 /nfs/dbraw/zinc/81/97/68/782819768.db2.gz UFPHYNMTMUWDHM-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383153 783060448 /nfs/dbraw/zinc/06/04/48/783060448.db2.gz WVUVNMPSDQFJEA-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089420152 783085722 /nfs/dbraw/zinc/08/57/22/783085722.db2.gz KFUVJRYIZVKXRJ-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1C ZINC000947435686 783135838 /nfs/dbraw/zinc/13/58/38/783135838.db2.gz BGQCGZCJMKXLNE-JKSUJKDBSA-N 2 0 318.465 2.472 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947473856 783146669 /nfs/dbraw/zinc/14/66/69/783146669.db2.gz OUPFYFIKJWCXBW-GOEBONIOSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492246 783157049 /nfs/dbraw/zinc/15/70/49/783157049.db2.gz GCJBJVCLOGZUNB-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC[C@H](C)SC)CC1 ZINC001208151188 776569863 /nfs/dbraw/zinc/56/98/63/776569863.db2.gz TWIGWAMSDSWFRY-KRWDZBQOSA-N 2 0 311.539 2.420 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125546 790471907 /nfs/dbraw/zinc/47/19/07/790471907.db2.gz AKMJLLPFGFKBTF-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167225171 776782211 /nfs/dbraw/zinc/78/22/11/776782211.db2.gz PSJHDJGHMSSGCA-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104355085 777112572 /nfs/dbraw/zinc/11/25/72/777112572.db2.gz MVAFZCKGODBDCP-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947606 777808450 /nfs/dbraw/zinc/80/84/50/777808450.db2.gz RHMTZFVXZCSBDV-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203414402 778149705 /nfs/dbraw/zinc/14/97/05/778149705.db2.gz KGYGONKZWNVSSE-UHFFFAOYSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785422 778231740 /nfs/dbraw/zinc/23/17/40/778231740.db2.gz JPOJBWSQTIUUAD-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167736719 778232550 /nfs/dbraw/zinc/23/25/50/778232550.db2.gz HPDMNGPUDBBLKD-MRXNPFEDSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001112529514 778606185 /nfs/dbraw/zinc/60/61/85/778606185.db2.gz CSKLLODKRXNKCR-LNLFQRSKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578674 779361600 /nfs/dbraw/zinc/36/16/00/779361600.db2.gz IZJMJHUMJFRTCT-MWDXBVQZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749502 779437012 /nfs/dbraw/zinc/43/70/12/779437012.db2.gz OAHIHZZXZJMZPR-YESZJQIVSA-N 2 0 307.482 2.406 20 30 DEEDRP 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 779696978 /nfs/dbraw/zinc/69/69/78/779696978.db2.gz FZZKQGWICOVFQE-FGTMMUONSA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000985598076 779949311 /nfs/dbraw/zinc/94/93/11/779949311.db2.gz FNRZVWISRAZAJH-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088810067 781022146 /nfs/dbraw/zinc/02/21/46/781022146.db2.gz CMFNNSLAHGPRME-IKGGRYGDSA-N 2 0 307.482 2.264 20 30 DEEDRP CC(C)[NH+]1CCN(CC[NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171186708 790914743 /nfs/dbraw/zinc/91/47/43/790914743.db2.gz YOQOSFQGMXCKQX-QGZVFWFLSA-N 2 0 314.477 2.105 20 30 DEEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732158 783396792 /nfs/dbraw/zinc/39/67/92/783396792.db2.gz NQYJTLTYASZEDD-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364332 783439570 /nfs/dbraw/zinc/43/95/70/783439570.db2.gz DLPNQCUXQSFNHF-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948589579 783513841 /nfs/dbraw/zinc/51/38/41/783513841.db2.gz CPRQXFGUXYCVJU-QGZVFWFLSA-N 2 0 324.428 2.284 20 30 DEEDRP 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 783520893 /nfs/dbraw/zinc/52/08/93/783520893.db2.gz LSQFXHIRZBYPPA-YVSFHVDLSA-N 2 0 319.493 2.072 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001091161243 790954193 /nfs/dbraw/zinc/95/41/93/790954193.db2.gz MVSPXYZPDACQBU-UHFFFAOYSA-N 2 0 315.461 2.075 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001085241593 783597994 /nfs/dbraw/zinc/59/79/94/783597994.db2.gz FGNDPTCIOWODSK-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374414 783968756 /nfs/dbraw/zinc/96/87/56/783968756.db2.gz BPMPOCJYWKMMKO-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192306 784247803 /nfs/dbraw/zinc/24/78/03/784247803.db2.gz QJBBYXZZDRYZGS-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331716 784294587 /nfs/dbraw/zinc/29/45/87/784294587.db2.gz QFTMVMJUNFQPSB-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856075 784620714 /nfs/dbraw/zinc/62/07/14/784620714.db2.gz DDURTYFXVPGIKO-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936855 784659142 /nfs/dbraw/zinc/65/91/42/784659142.db2.gz SHZKVVOLJMFAOR-KRWDZBQOSA-N 2 0 324.428 2.332 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169142088 785062159 /nfs/dbraw/zinc/06/21/59/785062159.db2.gz ZSGYRZKXJBLRGB-BRIYLRKRSA-N 2 0 320.477 2.438 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008064472 785095651 /nfs/dbraw/zinc/09/56/51/785095651.db2.gz VQTIFEHAUCKIBP-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108791924 785539357 /nfs/dbraw/zinc/53/93/57/785539357.db2.gz DKWCHBBDDHEAJL-KKUMJFAQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821532 785561675 /nfs/dbraw/zinc/56/16/75/785561675.db2.gz OFBLLGVFARAOQJ-ULQDDVLXSA-N 2 0 305.466 2.018 20 30 DEEDRP 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 785857567 /nfs/dbraw/zinc/85/75/67/785857567.db2.gz YHKRSZMWTAQFPM-QZWWFDLISA-N 2 0 305.466 2.014 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578809 786163338 /nfs/dbraw/zinc/16/33/38/786163338.db2.gz IGHJVSLZCJJSSS-HKUYNNGSSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001112920802 786297673 /nfs/dbraw/zinc/29/76/73/786297673.db2.gz LBFLSZFPDINHFZ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001113010839 786360699 /nfs/dbraw/zinc/36/06/99/786360699.db2.gz OXQCQOQPERXXKR-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001113102350 786401544 /nfs/dbraw/zinc/40/15/44/786401544.db2.gz FDCJHBLDIUZUNR-HNNXBMFYSA-N 2 0 312.417 2.447 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001113348628 786539658 /nfs/dbraw/zinc/53/96/58/786539658.db2.gz VVGONRSSULEMHR-SJORKVTESA-N 2 0 309.498 2.299 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001113536188 786666675 /nfs/dbraw/zinc/66/66/75/786666675.db2.gz HWEKNAVXIHMBDJ-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001113680986 786758391 /nfs/dbraw/zinc/75/83/91/786758391.db2.gz ZJZUAXBHBLCIBO-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015394851 787030650 /nfs/dbraw/zinc/03/06/50/787030650.db2.gz ZHGJNKCMSRTPTK-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP 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 787450129 /nfs/dbraw/zinc/45/01/29/787450129.db2.gz HYUNIYGOBHPSBR-LDDOYCOJSA-N 2 0 323.456 2.106 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111591 787936460 /nfs/dbraw/zinc/93/64/60/787936460.db2.gz TYOXCJSZGGIQFB-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493964 788104323 /nfs/dbraw/zinc/10/43/23/788104323.db2.gz OIMKDCOQLPPVBE-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517357 788107508 /nfs/dbraw/zinc/10/75/08/788107508.db2.gz BGOXFWVKCSUPED-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548378 788125475 /nfs/dbraw/zinc/12/54/75/788125475.db2.gz CMPNQCCCMXWHOX-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549752 788127336 /nfs/dbraw/zinc/12/73/36/788127336.db2.gz ZCJPWSCMCJPNBY-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097695290 788183019 /nfs/dbraw/zinc/18/30/19/788183019.db2.gz VVTXBKYAGCUDJZ-HZMVEIRTSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457661 788273902 /nfs/dbraw/zinc/27/39/02/788273902.db2.gz IULZNTWGGYUTAX-ZACQAIPSSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133212917 788320521 /nfs/dbraw/zinc/32/05/21/788320521.db2.gz GWTDPCSBZINETJ-WMZOPIPTSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133229326 788324360 /nfs/dbraw/zinc/32/43/60/788324360.db2.gz IRBGPAJPADDLHW-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808286 789096796 /nfs/dbraw/zinc/09/67/96/789096796.db2.gz GXQDTOVJNYOORJ-STQMWFEESA-N 2 0 300.406 2.315 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299559 789278785 /nfs/dbraw/zinc/27/87/85/789278785.db2.gz YASYAEKVDHJKPF-KBPBESRZSA-N 2 0 307.438 2.404 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086819993 789643781 /nfs/dbraw/zinc/64/37/81/789643781.db2.gz KVASLPCTOQMSPA-GVDBMIGSSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507828 789747488 /nfs/dbraw/zinc/74/74/88/789747488.db2.gz CGGLHWBHYRTJKC-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735992 789896790 /nfs/dbraw/zinc/89/67/90/789896790.db2.gz WAVMXOAWYDJHHH-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820597 789928580 /nfs/dbraw/zinc/92/85/80/789928580.db2.gz AJFKACFUPXSGQB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147466497 791542447 /nfs/dbraw/zinc/54/24/47/791542447.db2.gz NFZNVKOGSOKICG-QGZVFWFLSA-N 2 0 303.450 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086855341 791832518 /nfs/dbraw/zinc/83/25/18/791832518.db2.gz UNNPPEPGXKLEQB-LSDHHAIUSA-N 2 0 316.449 2.212 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956550 791864137 /nfs/dbraw/zinc/86/41/37/791864137.db2.gz PWQCXDAMTZQHAH-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098944852 791994306 /nfs/dbraw/zinc/99/43/06/791994306.db2.gz NROBGYHUADDOOO-YJBOKZPZSA-N 2 0 310.401 2.105 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099027680 792044261 /nfs/dbraw/zinc/04/42/61/792044261.db2.gz PPAFSHYZWDFIKH-LPHOPBHVSA-N 2 0 319.493 2.265 20 30 DEEDRP 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 792230644 /nfs/dbraw/zinc/23/06/44/792230644.db2.gz SRIFHSXJSVPXLO-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 792233377 /nfs/dbraw/zinc/23/33/77/792233377.db2.gz KVKZYJXCBOGAMG-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539141 792234804 /nfs/dbraw/zinc/23/48/04/792234804.db2.gz ZJIIKLWMTNWINW-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100476361 792675285 /nfs/dbraw/zinc/67/52/85/792675285.db2.gz LBTXXIXYAGCPKE-KLAILNCOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729637 792816061 /nfs/dbraw/zinc/81/60/61/792816061.db2.gz HGZMLBBITFEZEB-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094412894 792906855 /nfs/dbraw/zinc/90/68/55/792906855.db2.gz OXTWOGXSLDRFFT-ZHALLVOQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478592 793175447 /nfs/dbraw/zinc/17/54/47/793175447.db2.gz VYHZBURUUPXLSH-AEFFLSMTSA-N 2 0 307.482 2.073 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101597691 793259707 /nfs/dbraw/zinc/25/97/07/793259707.db2.gz XDGRTYCXKUKILH-UHFFFAOYSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171922674 793260501 /nfs/dbraw/zinc/26/05/01/793260501.db2.gz ANGWZTIPKPPKCT-SJLPKXTDSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171922675 793260855 /nfs/dbraw/zinc/26/08/55/793260855.db2.gz ANGWZTIPKPPKCT-WMZOPIPTSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071291 793493932 /nfs/dbraw/zinc/49/39/32/793493932.db2.gz JBMCELBIAXZDNI-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP CCC[N@H+](CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970371 793547309 /nfs/dbraw/zinc/54/73/09/793547309.db2.gz FRJIKUXSUWGNEV-CABCVRRESA-N 2 0 324.469 2.339 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174929700 794094817 /nfs/dbraw/zinc/09/48/17/794094817.db2.gz SVNZLMHFOSKCMF-HNNXBMFYSA-N 2 0 319.449 2.243 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175271392 794175055 /nfs/dbraw/zinc/17/50/55/794175055.db2.gz AXKLLINUOAOQQQ-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000072 794341563 /nfs/dbraw/zinc/34/15/63/794341563.db2.gz UZKUBTZAHQDNGM-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176278943 794388921 /nfs/dbraw/zinc/38/89/21/794388921.db2.gz KTQQTZTXAPWPCT-AWEZNQCLSA-N 2 0 303.878 2.345 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858193 794503796 /nfs/dbraw/zinc/50/37/96/794503796.db2.gz STKNHBMVKVRLJS-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177266433 794629282 /nfs/dbraw/zinc/62/92/82/794629282.db2.gz HMCIMJBCANNIRJ-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115293040 794724559 /nfs/dbraw/zinc/72/45/59/794724559.db2.gz ZSAAPBGWJSGVRF-VXNCWWDNSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579558 794828670 /nfs/dbraw/zinc/82/86/70/794828670.db2.gz UKAPIZWGWLMGOB-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596598 794833601 /nfs/dbraw/zinc/83/36/01/794833601.db2.gz OAPLQQDICKIWMK-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCCCC1 ZINC001115726701 794897107 /nfs/dbraw/zinc/89/71/07/794897107.db2.gz NSQOCQPJWLMDEQ-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178633826 794961715 /nfs/dbraw/zinc/96/17/15/794961715.db2.gz GUXZNNXBMGRTKV-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026107 795048166 /nfs/dbraw/zinc/04/81/66/795048166.db2.gz LNOMIFIFWXITNH-UHFFFAOYSA-N 2 0 300.406 2.400 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179146260 795069050 /nfs/dbraw/zinc/06/90/50/795069050.db2.gz WGCHGMGLKUYLKR-YOEHRIQHSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179587372 795139072 /nfs/dbraw/zinc/13/90/72/795139072.db2.gz ZWTONARKHCMFRM-UKRRQHHQSA-N 2 0 315.889 2.203 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749774 795171877 /nfs/dbraw/zinc/17/18/77/795171877.db2.gz UBRFGNXOPOQKNH-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001180061163 795233129 /nfs/dbraw/zinc/23/31/29/795233129.db2.gz ZENCWUIMSHMINF-IAGOWNOFSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001180446898 795300660 /nfs/dbraw/zinc/30/06/60/795300660.db2.gz YMRSRMNHZPQTNH-UHFFFAOYSA-N 2 0 307.482 2.152 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001120004770 795387135 /nfs/dbraw/zinc/38/71/35/795387135.db2.gz HBVUGXGDTPIRJT-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC001181141497 795429280 /nfs/dbraw/zinc/42/92/80/795429280.db2.gz QCUDDZAHJMIKLR-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439487 795459389 /nfs/dbraw/zinc/45/93/89/795459389.db2.gz HBBISEIFFLMBHV-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440641 795461172 /nfs/dbraw/zinc/46/11/72/795461172.db2.gz QHSZUOBGJHISEJ-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120450045 795463025 /nfs/dbraw/zinc/46/30/25/795463025.db2.gz RSZDQAXPTZRWED-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001182599627 795718497 /nfs/dbraw/zinc/71/84/97/795718497.db2.gz YJHBWUVLVWQLLD-ZIFCJYIRSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001183079997 795796808 /nfs/dbraw/zinc/79/68/08/795796808.db2.gz LATJQWFTRGATKX-UHFFFAOYSA-N 2 0 301.434 2.016 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001183228307 795828146 /nfs/dbraw/zinc/82/81/46/795828146.db2.gz GEIYJZQXGMBNTQ-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001183817617 795934224 /nfs/dbraw/zinc/93/42/24/795934224.db2.gz QDHWCDXDKAGNQF-MRXNPFEDSA-N 2 0 316.449 2.065 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184821372 796133359 /nfs/dbraw/zinc/13/33/59/796133359.db2.gz JQMLAFTTYXBSBK-JKSUJKDBSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001185071943 796183769 /nfs/dbraw/zinc/18/37/69/796183769.db2.gz BYMULWDETVQSGJ-WMZOPIPTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185549642 796280475 /nfs/dbraw/zinc/28/04/75/796280475.db2.gz QTLCDHDAYPPEHT-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185547507 796289712 /nfs/dbraw/zinc/28/97/12/796289712.db2.gz IGJGIFKIAPAEFJ-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001185729952 796310038 /nfs/dbraw/zinc/31/00/38/796310038.db2.gz KEECAICVKHDWLK-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185761563 796312029 /nfs/dbraw/zinc/31/20/29/796312029.db2.gz HSTLRNXXMFCXRT-DZGCQCFKSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001187004706 796470325 /nfs/dbraw/zinc/47/03/25/796470325.db2.gz UXAGUVQWQFCKGY-IEBWSBKVSA-N 2 0 315.461 2.230 20 30 DEEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001203283625 796806115 /nfs/dbraw/zinc/80/61/15/796806115.db2.gz ULVCTKGAFNVQRX-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543453 797220177 /nfs/dbraw/zinc/22/01/77/797220177.db2.gz MVLOPANNDOUXPN-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507265 797222201 /nfs/dbraw/zinc/22/22/01/797222201.db2.gz JTWSIELCYMLMKP-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677672 797374799 /nfs/dbraw/zinc/37/47/99/797374799.db2.gz MTMDNKXSFOOVTP-CQSZACIVSA-N 2 0 321.490 2.273 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193499692 797575876 /nfs/dbraw/zinc/57/58/76/797575876.db2.gz KXLIINVKSDICCG-OAHLLOKOSA-N 2 0 316.449 2.260 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273904 797696478 /nfs/dbraw/zinc/69/64/78/797696478.db2.gz BSZQTQBPECGPTQ-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227990 797696492 /nfs/dbraw/zinc/69/64/92/797696492.db2.gz OVQQKGHSYBGDCC-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430517 797731311 /nfs/dbraw/zinc/73/13/11/797731311.db2.gz VXRZYKOZEQCRLT-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086374 798141242 /nfs/dbraw/zinc/14/12/42/798141242.db2.gz QXANIYMVUNCZSQ-MRXNPFEDSA-N 2 0 315.461 2.212 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702427 798262116 /nfs/dbraw/zinc/26/21/16/798262116.db2.gz SQHIXLNGSPZLSR-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200605983 798661453 /nfs/dbraw/zinc/66/14/53/798661453.db2.gz FSVOUXYVCYPKQN-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160739153 798733315 /nfs/dbraw/zinc/73/33/15/798733315.db2.gz QWOUHTQPBXKVKM-HNNXBMFYSA-N 2 0 322.840 2.039 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787501 798740568 /nfs/dbraw/zinc/74/05/68/798740568.db2.gz PGLHDGJWDIPPJM-GOSISDBHSA-N 2 0 317.477 2.185 20 30 DEEDRP 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 799650681 /nfs/dbraw/zinc/65/06/81/799650681.db2.gz WNAJWHUKQOZWRX-NCOADZHNSA-N 2 0 305.466 2.157 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095695243 799697665 /nfs/dbraw/zinc/69/76/65/799697665.db2.gz PGEWJAFYRYCJEF-PVAVHDDUSA-N 2 0 310.401 2.246 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165464873 799735187 /nfs/dbraw/zinc/73/51/87/799735187.db2.gz NXNDJMWRLHXIHM-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001166407667 799867410 /nfs/dbraw/zinc/86/74/10/799867410.db2.gz APRMKCKEEUKLHD-KBPBESRZSA-N 2 0 304.438 2.280 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427027 800046094 /nfs/dbraw/zinc/04/60/94/800046094.db2.gz SDMPQNXLRDACMP-HOTGVXAUSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334503 800345252 /nfs/dbraw/zinc/34/52/52/800345252.db2.gz OXUPZLRVNHAMDC-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415530 800354593 /nfs/dbraw/zinc/35/45/93/800354593.db2.gz AJQWZEZBKSHSBP-INIZCTEOSA-N 2 0 313.461 2.071 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206482592 800541231 /nfs/dbraw/zinc/54/12/31/800541231.db2.gz VMKQWBXQLRTQJH-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073431 800907048 /nfs/dbraw/zinc/90/70/48/800907048.db2.gz JPPOQODRLHWDCM-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498676 800996943 /nfs/dbraw/zinc/99/69/43/800996943.db2.gz SYSVNQIJBUBYLE-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208758600 801064862 /nfs/dbraw/zinc/06/48/62/801064862.db2.gz LWIXCCROERBGDL-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001229186526 801238617 /nfs/dbraw/zinc/23/86/17/801238617.db2.gz XMIFWLLCZJXZMM-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP COc1cc(C#N)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210269596 801364714 /nfs/dbraw/zinc/36/47/14/801364714.db2.gz XWGMWQDUWUBEDZ-UHFFFAOYSA-N 2 0 309.373 2.115 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141297 801365321 /nfs/dbraw/zinc/36/53/21/801365321.db2.gz FDPCVPRUVZYQMK-GVDBMIGSSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611661 801436907 /nfs/dbraw/zinc/43/69/07/801436907.db2.gz XFIPMPAIEXYAQR-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211072660 801508545 /nfs/dbraw/zinc/50/85/45/801508545.db2.gz UPOXUMKSIWTPSO-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001215226037 801823653 /nfs/dbraw/zinc/82/36/53/801823653.db2.gz DEDCAJGXYXHMRU-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216833973 802030804 /nfs/dbraw/zinc/03/08/04/802030804.db2.gz CVTXNSKWVUEVKR-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730848 802607714 /nfs/dbraw/zinc/60/77/14/802607714.db2.gz VKRMFEMJCDTLCB-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001222897747 802748381 /nfs/dbraw/zinc/74/83/81/802748381.db2.gz MJLLYDULORVSAA-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226295880 803084179 /nfs/dbraw/zinc/08/41/79/803084179.db2.gz AEUMEWLUWBFXQI-KZNAEPCWSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226553703 803123983 /nfs/dbraw/zinc/12/39/83/803123983.db2.gz FRCZFRWAQUFKSI-BZUAXINKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226800880 803162856 /nfs/dbraw/zinc/16/28/56/803162856.db2.gz PLNGUDYJEXTLNP-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH+](CC)CC)c1 ZINC001574970117 1069312434 /nfs/dbraw/zinc/31/24/34/1069312434.db2.gz PRINPPQUVODTSS-QGZVFWFLSA-N 2 0 317.433 2.086 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328782207 1148834605 /nfs/dbraw/zinc/83/46/05/1148834605.db2.gz XTDSRQFTHODWSO-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001501118257 1059299936 /nfs/dbraw/zinc/29/99/36/1059299936.db2.gz IUKUBKUAJLCKPH-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001501719964 1059663373 /nfs/dbraw/zinc/66/33/73/1059663373.db2.gz AMCCWSZUYROANF-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001501718921 1059664526 /nfs/dbraw/zinc/66/45/26/1059664526.db2.gz VWJHSGFKGAKSMO-QAQDUYKDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[NH+]2C1 ZINC001467728789 1059692851 /nfs/dbraw/zinc/69/28/51/1059692851.db2.gz QEWRLTSBGUYADK-BBWFWOEESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001502831799 1060337975 /nfs/dbraw/zinc/33/79/75/1060337975.db2.gz FFQSIJVLQSKGDR-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001505526750 1060678810 /nfs/dbraw/zinc/67/88/10/1060678810.db2.gz YBXPXVQDGSOKOW-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001505775483 1060954942 /nfs/dbraw/zinc/95/49/42/1060954942.db2.gz YHMLJDZZZQEPDL-JCYILVPMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001479302039 1061376891 /nfs/dbraw/zinc/37/68/91/1061376891.db2.gz GWBIWXAXSMWGLG-YVSFHVDLSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479314822 1061390045 /nfs/dbraw/zinc/39/00/45/1061390045.db2.gz VYVDMSFXLCAGMY-NCOADZHNSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480085097 1062299279 /nfs/dbraw/zinc/29/92/79/1062299279.db2.gz PCIQDBAEFPQHOM-OAHLLOKOSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480088547 1062306462 /nfs/dbraw/zinc/30/64/62/1062306462.db2.gz JDNDXVNRAGAPAC-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001506865421 1062449225 /nfs/dbraw/zinc/44/92/25/1062449225.db2.gz KVZNKLYYGBFHNS-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480267767 1062567556 /nfs/dbraw/zinc/56/75/56/1062567556.db2.gz REBKMJDCYQZLBZ-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001480362791 1062714743 /nfs/dbraw/zinc/71/47/43/1062714743.db2.gz MVQJVZPMOKJDAM-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)N(C)C ZINC001480368518 1062724459 /nfs/dbraw/zinc/72/44/59/1062724459.db2.gz ZEWBRNUWXLCFLP-ZWKOTPCHSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001480369953 1062725668 /nfs/dbraw/zinc/72/56/68/1062725668.db2.gz OHEPHQCGQUUDLF-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480724649 1063250209 /nfs/dbraw/zinc/25/02/09/1063250209.db2.gz KVNZTGVNNVTHCC-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001493006871 1063473041 /nfs/dbraw/zinc/47/30/41/1063473041.db2.gz VZSDEPPLEVFMCO-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001507962464 1063479579 /nfs/dbraw/zinc/47/95/79/1063479579.db2.gz UZXBQOOQMVGRFS-DLBZAZTESA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001493957292 1064040268 /nfs/dbraw/zinc/04/02/68/1064040268.db2.gz SWPAZFPQIIBWHR-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001567629751 1064292045 /nfs/dbraw/zinc/29/20/45/1064292045.db2.gz DJVBINPESAAPPJ-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567660105 1064326582 /nfs/dbraw/zinc/32/65/82/1064326582.db2.gz SYXORBPJIYUMGD-SJORKVTESA-N 2 0 301.434 2.104 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001567666128 1064327144 /nfs/dbraw/zinc/32/71/44/1064327144.db2.gz SOLKKBXECMTPHH-QZTJIDSGSA-N 2 0 315.461 2.351 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567699479 1064355767 /nfs/dbraw/zinc/35/57/67/1064355767.db2.gz LXSBOLCDABOJGI-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567701232 1064358302 /nfs/dbraw/zinc/35/83/02/1064358302.db2.gz FINCYHYEJADSCL-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567742519 1064396603 /nfs/dbraw/zinc/39/66/03/1064396603.db2.gz SWCXXSPMILRGJQ-GOSISDBHSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C[C@@H](CC)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001610977596 1078093324 /nfs/dbraw/zinc/09/33/24/1078093324.db2.gz GJIXMYASDJRPLX-DLBZAZTESA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCC1 ZINC001568009811 1064592779 /nfs/dbraw/zinc/59/27/79/1064592779.db2.gz FPQPKYPOLHKHOA-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001568061811 1064626867 /nfs/dbraw/zinc/62/68/67/1064626867.db2.gz PLCGIUDTRLQQJX-INIZCTEOSA-N 2 0 324.428 2.108 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001568434329 1064868797 /nfs/dbraw/zinc/86/87/97/1064868797.db2.gz MJKBYFWATIKUKZ-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001495394024 1064878436 /nfs/dbraw/zinc/87/84/36/1064878436.db2.gz SSXXVOUAHLZCNI-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001568493367 1064907769 /nfs/dbraw/zinc/90/77/69/1064907769.db2.gz QYFUKKTZEDFBJP-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001495581395 1064991145 /nfs/dbraw/zinc/99/11/45/1064991145.db2.gz OWBVIRQBDHFFIW-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001569209788 1065367574 /nfs/dbraw/zinc/36/75/74/1065367574.db2.gz JWRVGYGUNVXYFA-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001496492333 1065507986 /nfs/dbraw/zinc/50/79/86/1065507986.db2.gz SBJLFRMSZUVQQI-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001569703828 1065680076 /nfs/dbraw/zinc/68/00/76/1065680076.db2.gz YFGMIJBIRSWJCI-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001496890111 1065779076 /nfs/dbraw/zinc/77/90/76/1065779076.db2.gz JLSOYEJIKVWWRC-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001569920498 1065823079 /nfs/dbraw/zinc/82/30/79/1065823079.db2.gz QXTREOWRIUUURN-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001570348359 1066024982 /nfs/dbraw/zinc/02/49/82/1066024982.db2.gz DEDCAJGXYXHMRU-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001570364726 1066034302 /nfs/dbraw/zinc/03/43/02/1066034302.db2.gz YJSGGYMRHFCVLF-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001570385045 1066042177 /nfs/dbraw/zinc/04/21/77/1066042177.db2.gz XAPIHZYBWIHOQR-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001632827269 1078392052 /nfs/dbraw/zinc/39/20/52/1078392052.db2.gz VMICTVKHAZQITK-SJLPKXTDSA-N 2 0 315.461 2.131 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001499094990 1067089452 /nfs/dbraw/zinc/08/94/52/1067089452.db2.gz HPCMTNPTADTJPB-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267026162 1078511630 /nfs/dbraw/zinc/51/16/30/1078511630.db2.gz IBBPYAIIZCZXFI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]cn2)[C@@H](C)C1 ZINC001499835050 1067354061 /nfs/dbraw/zinc/35/40/61/1067354061.db2.gz LOINPVQEVAFUIQ-GJZGRUSLSA-N 2 0 304.438 2.278 20 30 DEEDRP N#Cc1ccc(CN2CC[NH+](Cc3ccc(C[NH3+])cc3)CC2)cc1 ZINC001580065720 1067486917 /nfs/dbraw/zinc/48/69/17/1067486917.db2.gz PSVOXKQIXQEICO-UHFFFAOYSA-N 2 0 320.440 2.335 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483466793 1078551852 /nfs/dbraw/zinc/55/18/52/1078551852.db2.gz PRDHCUQPYRZPDW-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001267094884 1078568718 /nfs/dbraw/zinc/56/87/18/1078568718.db2.gz WAHDEGSLQDRAMQ-DLBZAZTESA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001571022041 1068173912 /nfs/dbraw/zinc/17/39/12/1068173912.db2.gz LEEGZUUBKPJDNM-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001267254115 1078699763 /nfs/dbraw/zinc/69/97/63/1078699763.db2.gz DKJZKELXSYKRJC-SFHVURJKSA-N 2 0 315.461 2.141 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001571557789 1068418962 /nfs/dbraw/zinc/41/89/62/1068418962.db2.gz VRMSESNULUFEAM-SJORKVTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001571616096 1068442055 /nfs/dbraw/zinc/44/20/55/1068442055.db2.gz QIUKBHMKBKJNNC-UHFFFAOYSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001267308969 1078754693 /nfs/dbraw/zinc/75/46/93/1078754693.db2.gz IEVYPRHMIKFXDS-GOSISDBHSA-N 2 0 315.461 2.133 20 30 DEEDRP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267328193 1078768195 /nfs/dbraw/zinc/76/81/95/1078768195.db2.gz NEPLWDWWDSPTCB-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267317797 1078761063 /nfs/dbraw/zinc/76/10/63/1078761063.db2.gz ANQGTEWMLLYOEN-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483672681 1078771210 /nfs/dbraw/zinc/77/12/10/1078771210.db2.gz WOMAOYZEGHZJTM-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001272281311 1078779550 /nfs/dbraw/zinc/77/95/50/1078779550.db2.gz PWTJVRPRHWRYGH-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001483705818 1078831238 /nfs/dbraw/zinc/83/12/38/1078831238.db2.gz JIRHOIUUPVMUAC-DLBZAZTESA-N 2 0 301.434 2.056 20 30 DEEDRP C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001574872060 1069283287 /nfs/dbraw/zinc/28/32/87/1069283287.db2.gz CRFQYACPKIEGKT-SOLBZPMBSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)CCC[NH2+]1 ZINC001574892340 1069288254 /nfs/dbraw/zinc/28/82/54/1069288254.db2.gz AAWDUOYBWYNLCK-SFHVURJKSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001483817520 1079131565 /nfs/dbraw/zinc/13/15/65/1079131565.db2.gz PDRFLXGMOXKCNK-MRXNPFEDSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001483832696 1079142876 /nfs/dbraw/zinc/14/28/76/1079142876.db2.gz MQUCBTUAHLCYOO-GOSISDBHSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267602776 1079146848 /nfs/dbraw/zinc/14/68/48/1079146848.db2.gz GPHUIZXJGJFIJS-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483847626 1079148746 /nfs/dbraw/zinc/14/87/46/1079148746.db2.gz ITOUIIMFEWSIHJ-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483848580 1079150152 /nfs/dbraw/zinc/15/01/52/1079150152.db2.gz UOKHAYJBRKPDCK-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP C#CCC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481099751 1079182457 /nfs/dbraw/zinc/18/24/57/1079182457.db2.gz SDPQHGFYOHRBKT-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001496300098 1079245656 /nfs/dbraw/zinc/24/56/56/1079245656.db2.gz IVYAMDNGLXZAER-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001484022779 1079248631 /nfs/dbraw/zinc/24/86/31/1079248631.db2.gz OSGBCJOLEDJYFP-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001646806190 1074627380 /nfs/dbraw/zinc/62/73/80/1074627380.db2.gz MKFNRVMASYEIET-ZFWWWQNUSA-N 2 0 313.873 2.085 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001565771230 1075186813 /nfs/dbraw/zinc/18/68/13/1075186813.db2.gz HYAQOLHCUZLRKA-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267688475 1079375631 /nfs/dbraw/zinc/37/56/31/1079375631.db2.gz LOXGRUWVJUSPPI-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001565985526 1075213253 /nfs/dbraw/zinc/21/32/53/1075213253.db2.gz INPRADHNQVTNDN-KURKYZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001566532727 1075271625 /nfs/dbraw/zinc/27/16/25/1075271625.db2.gz AIQCFRWKZMYWHN-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001566674521 1075313582 /nfs/dbraw/zinc/31/35/82/1075313582.db2.gz SZVGTAMXRXZALJ-SJORKVTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001566711790 1075324082 /nfs/dbraw/zinc/32/40/82/1075324082.db2.gz VEVKADNKNLIMLW-ROUUACIJSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001566732280 1075328491 /nfs/dbraw/zinc/32/84/91/1075328491.db2.gz AFDONSHUZFBIEN-QZTJIDSGSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001566953716 1075397586 /nfs/dbraw/zinc/39/75/86/1075397586.db2.gz ILMXRGMTDPQLAL-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP 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 1075406005 /nfs/dbraw/zinc/40/60/05/1075406005.db2.gz WADFBHTXBUSADV-BCDMZGRMSA-N 2 0 319.493 2.262 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CCC)CCCC[C@H]1C ZINC001267873796 1079560398 /nfs/dbraw/zinc/56/03/98/1079560398.db2.gz LTOHRASKNJOXHX-AEFFLSMTSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267913289 1079597042 /nfs/dbraw/zinc/59/70/42/1079597042.db2.gz KRRMAVCQJQGKSB-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484547682 1079654567 /nfs/dbraw/zinc/65/45/67/1079654567.db2.gz SNIRNEPDWZPGSM-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001484619400 1079689975 /nfs/dbraw/zinc/68/99/75/1079689975.db2.gz TWFWXKPZZUKOTG-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001481337851 1079731799 /nfs/dbraw/zinc/73/17/99/1079731799.db2.gz PIMILWMXZBSUSA-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001484771963 1079787528 /nfs/dbraw/zinc/78/75/28/1079787528.db2.gz JDFKJSUOKKWKDQ-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001485037298 1079932260 /nfs/dbraw/zinc/93/22/60/1079932260.db2.gz NAQSGMUQEHXOPA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001268046063 1079937883 /nfs/dbraw/zinc/93/78/83/1079937883.db2.gz RRZITVSTZVFFQW-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001481487939 1079945841 /nfs/dbraw/zinc/94/58/41/1079945841.db2.gz MDBHXCSWKZDPJR-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268113419 1080083076 /nfs/dbraw/zinc/08/30/76/1080083076.db2.gz TURCLUFGQVMHGJ-QZTJIDSGSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001268124221 1080091558 /nfs/dbraw/zinc/09/15/58/1080091558.db2.gz RROXTUPRFWXZQI-MSOLQXFVSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001656547239 1080101654 /nfs/dbraw/zinc/10/16/54/1080101654.db2.gz XOHZFSKMYKMJJT-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268154792 1080128575 /nfs/dbraw/zinc/12/85/75/1080128575.db2.gz DMZFMKNHGRRRRY-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001656888917 1080135198 /nfs/dbraw/zinc/13/51/98/1080135198.db2.gz AUFYMXGQZKXZIY-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268181450 1080171243 /nfs/dbraw/zinc/17/12/43/1080171243.db2.gz XSQHEQUGONSINH-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001485437658 1080207130 /nfs/dbraw/zinc/20/71/30/1080207130.db2.gz JKFXOVUDMNJGTP-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485570369 1080303027 /nfs/dbraw/zinc/30/30/27/1080303027.db2.gz BUMXYWRYAVDVAU-LSDHHAIUSA-N 2 0 313.461 2.069 20 30 DEEDRP CC#CC[NH+](C)CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001660365204 1080317832 /nfs/dbraw/zinc/31/78/32/1080317832.db2.gz SMAYQXROWMGCPK-GOSISDBHSA-N 2 0 315.461 2.141 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001662116940 1080570972 /nfs/dbraw/zinc/57/09/72/1080570972.db2.gz HAGKVDCMFGGLSO-ABHNRTSZSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001662675919 1080631956 /nfs/dbraw/zinc/63/19/56/1080631956.db2.gz UXQKTMPZUOKZED-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001662868079 1080670203 /nfs/dbraw/zinc/67/02/03/1080670203.db2.gz QMHWMNLFJJSGGA-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663423475 1080746376 /nfs/dbraw/zinc/74/63/76/1080746376.db2.gz TWTTWOIBKOVEFO-QGZVFWFLSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001664588381 1080928929 /nfs/dbraw/zinc/92/89/29/1080928929.db2.gz TUJXBZIIPMSJNJ-SFHVURJKSA-N 2 0 315.461 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001664599521 1080932235 /nfs/dbraw/zinc/93/22/35/1080932235.db2.gz SHEMCDWOYPDXOW-SJLPKXTDSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001664760044 1080957562 /nfs/dbraw/zinc/95/75/62/1080957562.db2.gz KIUHABHXFJUYGL-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001665019388 1080983774 /nfs/dbraw/zinc/98/37/74/1080983774.db2.gz SGUBTFPWKALVFG-HUUCEWRRSA-N 2 0 304.438 2.135 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001269085656 1081110857 /nfs/dbraw/zinc/11/08/57/1081110857.db2.gz WSHHBBZDICENGQ-QGZVFWFLSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001269622343 1081311821 /nfs/dbraw/zinc/31/18/21/1081311821.db2.gz GWNOLHXLBFVVSQ-IBGZPJMESA-N 2 0 324.428 2.154 20 30 DEEDRP C=C(C)CN1CC(N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950500668 1081354596 /nfs/dbraw/zinc/35/45/96/1081354596.db2.gz HZEBDAZCYKTVJG-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001673596958 1081361715 /nfs/dbraw/zinc/36/17/15/1081361715.db2.gz AGPBJIVTXBHKAE-HNNXBMFYSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001269778718 1081364576 /nfs/dbraw/zinc/36/45/76/1081364576.db2.gz VLZLYNJKOHEOSP-CVEARBPZSA-N 2 0 318.465 2.383 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001270050918 1081438715 /nfs/dbraw/zinc/43/87/15/1081438715.db2.gz RKBRWAUDYLLUGE-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001270187141 1081470158 /nfs/dbraw/zinc/47/01/58/1081470158.db2.gz FUMSBBJQDLPGGY-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001270403795 1081519778 /nfs/dbraw/zinc/51/97/78/1081519778.db2.gz MIHMATNYLYLWMO-ROUUACIJSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001671542790 1081522953 /nfs/dbraw/zinc/52/29/53/1081522953.db2.gz XBCYQOMQCNFNTD-QZTJIDSGSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001671842847 1081542462 /nfs/dbraw/zinc/54/24/62/1081542462.db2.gz PNXHOBJHCIAZCR-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001672969928 1081727312 /nfs/dbraw/zinc/72/73/12/1081727312.db2.gz HAOXMWYNXAEYLL-WKILWMFISA-N 2 0 324.428 2.154 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001673639242 1081787761 /nfs/dbraw/zinc/78/77/61/1081787761.db2.gz FVRLIIMVRWNHBS-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001482420765 1081810021 /nfs/dbraw/zinc/81/00/21/1081810021.db2.gz FNMGALHLEGYHOG-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001674001565 1081822182 /nfs/dbraw/zinc/82/21/82/1081822182.db2.gz ILDUHXXRPLCABA-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001674399597 1081866247 /nfs/dbraw/zinc/86/62/47/1081866247.db2.gz QCITYJXVCVWWJM-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482480606 1081980355 /nfs/dbraw/zinc/98/03/55/1081980355.db2.gz GZSQUYZJURCBJH-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001271460005 1082053905 /nfs/dbraw/zinc/05/39/05/1082053905.db2.gz YCYRRMHAWBWHKW-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001670538371 1082168885 /nfs/dbraw/zinc/16/88/85/1082168885.db2.gz DIABBLRDPGGXQS-KRWDZBQOSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266749909 1082318803 /nfs/dbraw/zinc/31/88/03/1082318803.db2.gz OGRYLSXILWSQHE-WMZOPIPTSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001266909288 1082447342 /nfs/dbraw/zinc/44/73/42/1082447342.db2.gz LQTMHLJBFCWEBF-JCYILVPMSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001266911993 1082449167 /nfs/dbraw/zinc/44/91/67/1082449167.db2.gz QPBNFNBLEZYPEJ-JCYILVPMSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582793 1083493552 /nfs/dbraw/zinc/49/35/52/1083493552.db2.gz WBZHVDVRQVBHHC-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001276885047 1083663179 /nfs/dbraw/zinc/66/31/79/1083663179.db2.gz BNEAKMGSIZRJQP-QFBILLFUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277346930 1083918969 /nfs/dbraw/zinc/91/89/69/1083918969.db2.gz ZFQPTMMEWAQYAS-ZJPYXAASSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001272762616 1083958135 /nfs/dbraw/zinc/95/81/35/1083958135.db2.gz BCARNWVPWSCTAQ-XLAORIBOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001491296695 1084216312 /nfs/dbraw/zinc/21/63/12/1084216312.db2.gz OOGQGMHTYUWCHR-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCCCCCC[N@H+]1C[C@@H]2[C@H]3C[NH2+]C[C@H]3C[C@]2(C(=O)OC)C1 ZINC001235340237 1084399180 /nfs/dbraw/zinc/39/91/80/1084399180.db2.gz ZSDQYDVUANRNAW-NTDBWNAOSA-N 2 0 320.477 2.453 20 30 DEEDRP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH+](C)CC1 ZINC001272887540 1084430296 /nfs/dbraw/zinc/43/02/96/1084430296.db2.gz GNBIAYRVLWJDNF-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP CN(c1ccc(C#N)cc1)c1ccc(CN(CC[NH3+])CC[NH3+])cc1 ZINC001235877176 1084556077 /nfs/dbraw/zinc/55/60/77/1084556077.db2.gz MDOHNIHXGCSBOM-UHFFFAOYSA-N 2 0 323.444 2.046 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001078664021 1084798990 /nfs/dbraw/zinc/79/89/90/1084798990.db2.gz XPEHVVYHSDXIDA-IAGOWNOFSA-N 2 0 324.428 2.459 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078700090 1084815436 /nfs/dbraw/zinc/81/54/36/1084815436.db2.gz GPCWDLLHUJEFJN-CABCVRRESA-N 2 0 305.466 2.064 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001486203723 1085129585 /nfs/dbraw/zinc/12/95/85/1085129585.db2.gz BFQGLDXTGKNKEG-JKSUJKDBSA-N 2 0 324.428 2.154 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000960255519 1085166468 /nfs/dbraw/zinc/16/64/68/1085166468.db2.gz PYBIPLCUSONTIN-FGTMMUONSA-N 2 0 313.445 2.029 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000964207104 1085175490 /nfs/dbraw/zinc/17/54/90/1085175490.db2.gz JZQSYXLWDGTTIB-UHFFFAOYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001486520242 1085402789 /nfs/dbraw/zinc/40/27/89/1085402789.db2.gz IVSQNRGLCBIPIR-WBVHZDCISA-N 2 0 305.466 2.041 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961443855 1085735696 /nfs/dbraw/zinc/73/56/96/1085735696.db2.gz XJYZPVHGZOGKIE-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957517606 1088370439 /nfs/dbraw/zinc/37/04/39/1088370439.db2.gz YMOJYGOGMADQQK-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080021587 1088564962 /nfs/dbraw/zinc/56/49/62/1088564962.db2.gz GTTAJJFDRAGOON-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001258720621 1089219782 /nfs/dbraw/zinc/21/97/82/1089219782.db2.gz CJQHBOWCEZLVDL-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014278 1090589980 /nfs/dbraw/zinc/58/99/80/1090589980.db2.gz QRCLZWMVBMOZHR-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001410394727 1090611718 /nfs/dbraw/zinc/61/17/18/1090611718.db2.gz XWNLVWLKXFZIFF-ZIAGYGMSSA-N 2 0 301.862 2.048 20 30 DEEDRP C=CCCCC[N@H+]1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274974656 1091496637 /nfs/dbraw/zinc/49/66/37/1091496637.db2.gz OMOZTAXVYDCWBY-GOSISDBHSA-N 2 0 309.498 2.071 20 30 DEEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001275290222 1091654616 /nfs/dbraw/zinc/65/46/16/1091654616.db2.gz ADPMBNYQVNXZJK-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948771821 1091927943 /nfs/dbraw/zinc/92/79/43/1091927943.db2.gz QPOIHYKDTWFEPD-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001273577776 1091932331 /nfs/dbraw/zinc/93/23/31/1091932331.db2.gz DTVDQURBNZGCAO-IAGOWNOFSA-N 2 0 309.498 2.463 20 30 DEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001275829375 1092192151 /nfs/dbraw/zinc/19/21/51/1092192151.db2.gz YQFJHHNSNDPGDH-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2C1CCN(C)CC1 ZINC001273828132 1092230553 /nfs/dbraw/zinc/23/05/53/1092230553.db2.gz ZSPHWWIFCCORGI-SFHVURJKSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001488699174 1092688626 /nfs/dbraw/zinc/68/86/26/1092688626.db2.gz OEPOIDNRIPXLKI-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001490774305 1093521397 /nfs/dbraw/zinc/52/13/97/1093521397.db2.gz IATAQXIGPLRLIT-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP CSc1nc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1C#N ZINC001236320554 1138351219 /nfs/dbraw/zinc/35/12/19/1138351219.db2.gz PZUFXAJZQISODG-OKILXGFUSA-N 2 0 302.447 2.107 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001318483666 1140345462 /nfs/dbraw/zinc/34/54/62/1140345462.db2.gz GPGUFQVRBQJNKB-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C[C@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@H]1C ZINC001318744060 1140398237 /nfs/dbraw/zinc/39/82/37/1140398237.db2.gz JEZDBJPPQKJGII-CRAIPNDOSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001318916553 1140467081 /nfs/dbraw/zinc/46/70/81/1140467081.db2.gz BJXKHMASBWOPFH-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001319000131 1140489145 /nfs/dbraw/zinc/48/91/45/1140489145.db2.gz KRDQGEOAISPUQX-INIZCTEOSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001319038817 1140493404 /nfs/dbraw/zinc/49/34/04/1140493404.db2.gz ULKNKXVPZAKDJW-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001319549868 1140614103 /nfs/dbraw/zinc/61/41/03/1140614103.db2.gz RUQJVMZGEQKHNN-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001319649031 1140639335 /nfs/dbraw/zinc/63/93/35/1140639335.db2.gz UPDOPMGUSWWPSQ-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001329624743 1148943815 /nfs/dbraw/zinc/94/38/15/1148943815.db2.gz STRNJBALAHKQMW-NVXWUHKLSA-N 2 0 303.450 2.302 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@]1(O)CCCC[NH2+]C1 ZINC001245977146 1140840459 /nfs/dbraw/zinc/84/04/59/1140840459.db2.gz VOJPFZZLAXMGOM-SJORKVTESA-N 2 0 300.487 2.192 20 30 DEEDRP Cc1cccc2c1C1(C[C@H]2[NH2+][C@H]2CCN[C@H](C#N)C2)CC[NH2+]CC1 ZINC001246251496 1140878277 /nfs/dbraw/zinc/87/82/77/1140878277.db2.gz WZRHHVNUDWTDQB-XYJFISCASA-N 2 0 324.472 2.295 20 30 DEEDRP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246360229 1140888439 /nfs/dbraw/zinc/88/84/39/1140888439.db2.gz GOIWLUTUEWYBER-KXBFYZLASA-N 2 0 312.461 2.253 20 30 DEEDRP N#C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246903893 1141111372 /nfs/dbraw/zinc/11/13/72/1141111372.db2.gz CGVFVNNZNJTLBZ-VLOYRQLPSA-N 2 0 312.461 2.403 20 30 DEEDRP C=CCCCNC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001247741490 1141478527 /nfs/dbraw/zinc/47/85/27/1141478527.db2.gz OXIZSPWVENRWSH-UHFFFAOYSA-N 2 0 314.543 2.033 20 30 DEEDRP C[NH2+][C@@H](CCCC[NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001247820750 1141536253 /nfs/dbraw/zinc/53/62/53/1141536253.db2.gz NRUQMQDOQAOFCO-ZDUSSCGKSA-N 2 0 303.341 2.137 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001278505821 1141791142 /nfs/dbraw/zinc/79/11/42/1141791142.db2.gz UUSONVZRYXSBRO-QGZVFWFLSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC ZINC001323170601 1141821223 /nfs/dbraw/zinc/82/12/23/1141821223.db2.gz ROLTVWMZOYZJKR-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001323358080 1141845472 /nfs/dbraw/zinc/84/54/72/1141845472.db2.gz RFAFPCBWSZLSBI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001323735676 1141881931 /nfs/dbraw/zinc/88/19/31/1141881931.db2.gz BTZZJWLDPIBJFW-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252471819 1142724469 /nfs/dbraw/zinc/72/44/69/1142724469.db2.gz IXZUWWOSMRRFRO-SFHVURJKSA-N 2 0 310.482 2.279 20 30 DEEDRP C=CCC[C@H](O)CN(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001252602438 1142784745 /nfs/dbraw/zinc/78/47/45/1142784745.db2.gz AQYUVXKTKZLBPB-SFHVURJKSA-N 2 0 313.530 2.299 20 30 DEEDRP COc1cc[nH+]c(N([C@H]2CC[C@H](C#N)C2)C2CC[NH2+]CC2)c1 ZINC001254676414 1143309834 /nfs/dbraw/zinc/30/98/34/1143309834.db2.gz LJTBIIBDHMZMDT-ZFWWWQNUSA-N 2 0 300.406 2.341 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CN(CC)CC2 ZINC001340773046 1143436709 /nfs/dbraw/zinc/43/67/09/1143436709.db2.gz GRNKECKNZKSSTH-LLVKDONJSA-N 2 0 308.451 2.143 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001341701325 1143671177 /nfs/dbraw/zinc/67/11/77/1143671177.db2.gz OIROUBYLPGJXJZ-ZWKOTPCHSA-N 2 0 315.461 2.451 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001341894274 1143736691 /nfs/dbraw/zinc/73/66/91/1143736691.db2.gz VWAOWSCDCMJLCL-NXHRZFHOSA-N 2 0 305.466 2.004 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCOC(C)(C)C2)CC1 ZINC001255551790 1143746862 /nfs/dbraw/zinc/74/68/62/1143746862.db2.gz PJTNGQUSTKBNMX-SFHVURJKSA-N 2 0 321.509 2.236 20 30 DEEDRP [NH2+]=C(NC1CCC([NH+]2CCOCC2)CC1)c1ccc(Cl)cn1 ZINC001256679632 1143861820 /nfs/dbraw/zinc/86/18/20/1143861820.db2.gz PIOLOQFZYMVTFD-UHFFFAOYSA-N 2 0 322.840 2.084 20 30 DEEDRP CC[NH+](CC)CCC[C@H](C)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001258902812 1144052542 /nfs/dbraw/zinc/05/25/42/1144052542.db2.gz GKXGYJTUGCMPQV-ZDUSSCGKSA-N 2 0 304.438 2.001 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@@H]1CC[NH2+]C1)C(C)C ZINC001262093062 1144289674 /nfs/dbraw/zinc/28/96/74/1144289674.db2.gz QKXPGVDYBPBJDQ-IAGOWNOFSA-N 2 0 322.497 2.078 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001264062686 1144452997 /nfs/dbraw/zinc/45/29/97/1144452997.db2.gz OKRXVXSFHZTVMU-BBWFWOEESA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001264464281 1144543626 /nfs/dbraw/zinc/54/36/26/1144543626.db2.gz KPJYVTPVGUUDMM-BBWFWOEESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001264551265 1144565655 /nfs/dbraw/zinc/56/56/55/1144565655.db2.gz ZPQOOFXBSXSYSP-LTIDMASMSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001264559934 1144566025 /nfs/dbraw/zinc/56/60/25/1144566025.db2.gz XIQRTCSSECSXEX-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265088245 1144640690 /nfs/dbraw/zinc/64/06/90/1144640690.db2.gz BCVYHWHNHJETIH-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265306748 1144689121 /nfs/dbraw/zinc/68/91/21/1144689121.db2.gz WSFYHHDQBUVQAP-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265670985 1144725683 /nfs/dbraw/zinc/72/56/83/1144725683.db2.gz YXPIBLFKIPIOSR-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001265982163 1144776543 /nfs/dbraw/zinc/77/65/43/1144776543.db2.gz CTTRHVXPQGNUNM-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001280053337 1144831413 /nfs/dbraw/zinc/83/14/13/1144831413.db2.gz PAWGTLBPVFKTLZ-AEFFLSMTSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001280865457 1144860187 /nfs/dbraw/zinc/86/01/87/1144860187.db2.gz JYMZZEFQGDEIGR-QGZVFWFLSA-N 2 0 307.482 2.053 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001281102057 1144871671 /nfs/dbraw/zinc/87/16/71/1144871671.db2.gz ZBMNADRNXXFQFW-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001282619257 1145099018 /nfs/dbraw/zinc/09/90/18/1145099018.db2.gz OECJKXMTYPZBAE-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001283077257 1145258672 /nfs/dbraw/zinc/25/86/72/1145258672.db2.gz BGBPPCIJTWDKRE-QAQDUYKDSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001284605584 1145878213 /nfs/dbraw/zinc/87/82/13/1145878213.db2.gz YQQWKXFEXQNMNR-IAGOWNOFSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001491933850 1147006533 /nfs/dbraw/zinc/00/65/33/1147006533.db2.gz RYHSPLKVFRWVBP-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001316772361 1147596474 /nfs/dbraw/zinc/59/64/74/1147596474.db2.gz YPQPXZOWHLOTKN-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001317031892 1147650458 /nfs/dbraw/zinc/65/04/58/1147650458.db2.gz ZYBNNOBXKHXXAD-QGZVFWFLSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001317124250 1147662699 /nfs/dbraw/zinc/66/26/99/1147662699.db2.gz FSDBWRXHQRAIOV-MWDXBVQZSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317383910 1147700206 /nfs/dbraw/zinc/70/02/06/1147700206.db2.gz IPMIJACBIQZHFA-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317526391 1147720240 /nfs/dbraw/zinc/72/02/40/1147720240.db2.gz JERMEHZSEWGJLS-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317534311 1147721723 /nfs/dbraw/zinc/72/17/23/1147721723.db2.gz ARVCCRJOMDZVJN-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317797450 1147753665 /nfs/dbraw/zinc/75/36/65/1147753665.db2.gz PAHWYHPYWUGSHD-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001325418790 1147905099 /nfs/dbraw/zinc/90/50/99/1147905099.db2.gz SCYNBNWVJQWHQU-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001326604556 1148158933 /nfs/dbraw/zinc/15/89/33/1148158933.db2.gz WEBPYIPZLZLBLO-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP Cc1cc(C#N)ccc1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000614401976 362372884 /nfs/dbraw/zinc/37/28/84/362372884.db2.gz URIQSWPVCRGMAZ-IBGZPJMESA-N 2 0 312.461 2.079 20 30 DEEDRP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000083032476 355462559 /nfs/dbraw/zinc/46/25/59/355462559.db2.gz CDZFSVOUVJYTJQ-GOEBONIOSA-N 2 0 316.449 2.146 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000581240297 357153842 /nfs/dbraw/zinc/15/38/42/357153842.db2.gz KWJMUAPIBXBCCY-DLBZAZTESA-N 2 0 322.497 2.065 20 30 DEEDRP CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000591570804 357736700 /nfs/dbraw/zinc/73/67/00/357736700.db2.gz PVSVKLUJJNKZFJ-SJORKVTESA-N 2 0 313.449 2.042 20 30 DEEDRP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCC(C)CC1 ZINC000594442035 358272830 /nfs/dbraw/zinc/27/28/30/358272830.db2.gz ZTHWIMQJUORUPT-IRXDYDNUSA-N 2 0 322.497 2.270 20 30 DEEDRP N#Cc1sccc1N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000595904334 358576548 /nfs/dbraw/zinc/57/65/48/358576548.db2.gz WAAMDVXLSTUWRG-UHFFFAOYSA-N 2 0 304.463 2.131 20 30 DEEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000602595873 360448177 /nfs/dbraw/zinc/44/81/77/360448177.db2.gz FKKASSPWPJQINC-YJBOKZPZSA-N 2 0 301.434 2.283 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000602533861 360421282 /nfs/dbraw/zinc/42/12/82/360421282.db2.gz PVTAFEMUKIUHQG-QGZVFWFLSA-N 2 0 315.465 2.123 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000669385679 540823231 /nfs/dbraw/zinc/82/32/31/540823231.db2.gz VUWIHQDUHBCCRS-SJORKVTESA-N 2 0 322.497 2.126 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448625 781941977 /nfs/dbraw/zinc/94/19/77/781941977.db2.gz CPKIEXSNRITHNF-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000675187474 541298364 /nfs/dbraw/zinc/29/83/64/541298364.db2.gz VGSUCHRKZNGXEQ-MRXNPFEDSA-N 2 0 322.497 2.201 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000106290811 194193354 /nfs/dbraw/zinc/19/33/54/194193354.db2.gz XZQBENAMJQMORU-OAGGEKHMSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000106256135 194192948 /nfs/dbraw/zinc/19/29/48/194192948.db2.gz QBLBPLNLOMYMSA-UHFFFAOYSA-N 2 0 322.497 2.199 20 30 DEEDRP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1C#N ZINC000349064740 146346210 /nfs/dbraw/zinc/34/62/10/146346210.db2.gz WADAKNDKMDNFIF-UHFFFAOYSA-N 2 0 314.477 2.325 20 30 DEEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000120243528 401983674 /nfs/dbraw/zinc/98/36/74/401983674.db2.gz QPEWNMVSPLBUSR-INIZCTEOSA-N 2 0 322.497 2.191 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000126295021 402273717 /nfs/dbraw/zinc/27/37/17/402273717.db2.gz SEXMBTFGDZDKEO-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)C(C)C ZINC000236654263 402371497 /nfs/dbraw/zinc/37/14/97/402371497.db2.gz OKTYRNBWPILTNW-INIZCTEOSA-N 2 0 307.482 2.320 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000177343108 402393058 /nfs/dbraw/zinc/39/30/58/402393058.db2.gz OMXRFSYGJWADRN-UHFFFAOYSA-N 2 0 313.445 2.340 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000171695225 402611377 /nfs/dbraw/zinc/61/13/77/402611377.db2.gz VHGYPVYLZWHGNE-UHFFFAOYSA-N 2 0 322.497 2.245 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181316839 402640922 /nfs/dbraw/zinc/64/09/22/402640922.db2.gz ZUCOELMSZGDTFM-SJLPKXTDSA-N 2 0 315.461 2.274 20 30 DEEDRP C=CCC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961383 402729468 /nfs/dbraw/zinc/72/94/68/402729468.db2.gz LDJBDOSYSZSAKN-GOSISDBHSA-N 2 0 310.482 2.138 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000195129285 402832941 /nfs/dbraw/zinc/83/29/41/402832941.db2.gz QOBUOGSECGHOQA-IAGOWNOFSA-N 2 0 322.497 2.078 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000278105748 402855883 /nfs/dbraw/zinc/85/58/83/402855883.db2.gz ZXAREOWSAKTKFC-UHFFFAOYSA-N 2 0 302.422 2.296 20 30 DEEDRP N#Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000269440595 403139660 /nfs/dbraw/zinc/13/96/60/403139660.db2.gz SKUYOCFNKXODGE-MRXNPFEDSA-N 2 0 305.397 2.024 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc2[nH]ccc21 ZINC000283765651 403221575 /nfs/dbraw/zinc/22/15/75/403221575.db2.gz IJVDKMRTOOQPRU-HNNXBMFYSA-N 2 0 313.449 2.099 20 30 DEEDRP C=CCOCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000347969152 403982932 /nfs/dbraw/zinc/98/29/32/403982932.db2.gz UAPLQBFJRXDJBT-QZTJIDSGSA-N 2 0 309.498 2.070 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCC)CC1 ZINC000357955397 404749156 /nfs/dbraw/zinc/74/91/56/404749156.db2.gz IQGGYXSHYKVSPO-HNNXBMFYSA-N 2 0 310.486 2.056 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358794903 404775950 /nfs/dbraw/zinc/77/59/50/404775950.db2.gz IZTYEHGQGOBCMA-CVEARBPZSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000358792145 404775129 /nfs/dbraw/zinc/77/51/29/404775129.db2.gz TUBABFLOLZNHKP-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000417073598 405027252 /nfs/dbraw/zinc/02/72/52/405027252.db2.gz YFSASWCPQRQBHF-YESZJQIVSA-N 2 0 322.497 2.064 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000451978826 405115975 /nfs/dbraw/zinc/11/59/75/405115975.db2.gz GHGFTNWQIABAKD-UHFFFAOYSA-N 2 0 318.440 2.203 20 30 DEEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430634399 405473548 /nfs/dbraw/zinc/47/35/48/405473548.db2.gz RPPXLLJNUYSVGL-AWEZNQCLSA-N 2 0 321.490 2.322 20 30 DEEDRP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367104 405779385 /nfs/dbraw/zinc/77/93/85/405779385.db2.gz CXQWLDDJYHVGPU-KXBFYZLASA-N 2 0 312.461 2.253 20 30 DEEDRP C=CCNC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000561945215 405952836 /nfs/dbraw/zinc/95/28/36/405952836.db2.gz NILLLAMFOJFFBH-OAHLLOKOSA-N 2 0 321.490 2.112 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000517324677 406125647 /nfs/dbraw/zinc/12/56/47/406125647.db2.gz XUFDRRSJESQKCO-INIZCTEOSA-N 2 0 322.497 2.056 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C2CCCCC2)CC1 ZINC000490650425 406478881 /nfs/dbraw/zinc/47/88/81/406478881.db2.gz MUTOGYUQBDJTNO-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCNC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000491791696 406722025 /nfs/dbraw/zinc/72/20/25/406722025.db2.gz AUZMGHLXALKBLS-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCNC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000491791697 406722190 /nfs/dbraw/zinc/72/21/90/406722190.db2.gz AUZMGHLXALKBLS-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP COCCNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000264094805 225303185 /nfs/dbraw/zinc/30/31/85/225303185.db2.gz MDGXFZMHJBUTEJ-UHFFFAOYSA-N 2 0 318.465 2.113 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897655 782028799 /nfs/dbraw/zinc/02/87/99/782028799.db2.gz RRUPPSZPBAORIB-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649323607 424991813 /nfs/dbraw/zinc/99/18/13/424991813.db2.gz GXZNOBNSYQRNPC-OAHLLOKOSA-N 2 0 307.825 2.106 20 30 DEEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000651830453 425149084 /nfs/dbraw/zinc/14/90/84/425149084.db2.gz UGZQRUXDDYPBBO-ROUUACIJSA-N 2 0 321.509 2.117 20 30 DEEDRP C=CC[C@]1(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662788958 425735616 /nfs/dbraw/zinc/73/56/16/425735616.db2.gz XXYLGZYTFSTUFV-GOSISDBHSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCC[NH2+]1 ZINC000662662816 425706417 /nfs/dbraw/zinc/70/64/17/425706417.db2.gz WUBSILIREDMYDV-XJKSGUPXSA-N 2 0 307.463 2.165 20 30 DEEDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278871345 280943789 /nfs/dbraw/zinc/94/37/89/280943789.db2.gz WZGWJLDSTKRTDA-LPHOPBHVSA-N 2 0 314.477 2.482 20 30 DEEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121620361 337896080 /nfs/dbraw/zinc/89/60/80/337896080.db2.gz KBEMJPBQGAWDLT-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001378695695 1152417370 /nfs/dbraw/zinc/41/73/70/1152417370.db2.gz YHLSLPJCDNVKHN-AWEZNQCLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001378927408 1152493783 /nfs/dbraw/zinc/49/37/83/1152493783.db2.gz QGACTYKBTZJQHC-UKRRQHHQSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423100202 526888998 /nfs/dbraw/zinc/88/89/98/526888998.db2.gz GPRUOYULHDZVSP-GUDVDZBRSA-N 2 0 316.445 2.498 20 30 DEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449131861 535716733 /nfs/dbraw/zinc/71/67/33/535716733.db2.gz PZPXDNWVCVZRBS-WWDZGPRUSA-N 2 0 306.498 2.322 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001026391105 625401187 /nfs/dbraw/zinc/40/11/87/625401187.db2.gz BRVBETZBSUAIJR-OKZBNKHCSA-N 2 0 319.493 2.119 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310301 625403235 /nfs/dbraw/zinc/40/32/35/625403235.db2.gz OYXZLGWWMPOUMB-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310600 625436708 /nfs/dbraw/zinc/43/67/08/625436708.db2.gz UOHGOJIOFDWBJM-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000969156360 622596997 /nfs/dbraw/zinc/59/69/97/622596997.db2.gz RBAOHOADVQPCRN-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000969692367 622886641 /nfs/dbraw/zinc/88/66/41/622886641.db2.gz IABONVHVJZIGSO-NVXWUHKLSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001020906931 623185074 /nfs/dbraw/zinc/18/50/74/623185074.db2.gz MOJUZNTZDSJEHC-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000970169495 623270881 /nfs/dbraw/zinc/27/08/81/623270881.db2.gz SDVBNFYHOOSPOY-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529843 623523547 /nfs/dbraw/zinc/52/35/47/623523547.db2.gz TYUQJLXHPBOUAU-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970928086 623797252 /nfs/dbraw/zinc/79/72/52/623797252.db2.gz IQVXARUWMOHUJU-OAHLLOKOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021604158 623818250 /nfs/dbraw/zinc/81/82/50/623818250.db2.gz BGIIBEKBEZRWEG-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739095 624021876 /nfs/dbraw/zinc/02/18/76/624021876.db2.gz GKNQYXFVLAJKDJ-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947474027 624642370 /nfs/dbraw/zinc/64/23/70/624642370.db2.gz PNAUATNSIWBNFU-UKRRQHHQSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978800615 634423645 /nfs/dbraw/zinc/42/36/45/634423645.db2.gz SKHHXZHCHNOKBJ-FJIDUMEYSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007746862 625061109 /nfs/dbraw/zinc/06/11/09/625061109.db2.gz OQMPPULBQOLVTH-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413113 625258958 /nfs/dbraw/zinc/25/89/58/625258958.db2.gz AEIGHOJZWWCVSK-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027695457 634450548 /nfs/dbraw/zinc/45/05/48/634450548.db2.gz VRNTZVHKHLIQRK-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027695456 634450610 /nfs/dbraw/zinc/45/06/10/634450610.db2.gz VRNTZVHKHLIQRK-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP [NH2+]=C(NCC1CCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195290823 625785795 /nfs/dbraw/zinc/78/57/95/625785795.db2.gz WIBRNLJDQYZRKU-QGZVFWFLSA-N 2 0 300.450 2.213 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534997 625850608 /nfs/dbraw/zinc/85/06/08/625850608.db2.gz OEBGJFHFNUKFBP-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142533 634492807 /nfs/dbraw/zinc/49/28/07/634492807.db2.gz AWXLNQUXOOCVBD-HUUCEWRRSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999154310 634500871 /nfs/dbraw/zinc/50/08/71/634500871.db2.gz TWVMGGLRFYGKDH-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488599 634619099 /nfs/dbraw/zinc/61/90/99/634619099.db2.gz GPNJJROJLDWFDS-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794849 634677669 /nfs/dbraw/zinc/67/76/69/634677669.db2.gz WJNZPRABNHYBDW-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024691718 632926690 /nfs/dbraw/zinc/92/66/90/632926690.db2.gz AAPHSAUWXQPTJT-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586850 633166128 /nfs/dbraw/zinc/16/61/28/633166128.db2.gz KQXWDVUGXIUEMJ-IAGOWNOFSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974729180 633269641 /nfs/dbraw/zinc/26/96/41/633269641.db2.gz HPRSCGZMWFZDPU-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974822860 633318293 /nfs/dbraw/zinc/31/82/93/633318293.db2.gz BBZUHYYZVXWXFW-MRXNPFEDSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974996965 633383822 /nfs/dbraw/zinc/38/38/22/633383822.db2.gz PRLYIXGSZBOITN-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001015972265 633551148 /nfs/dbraw/zinc/55/11/48/633551148.db2.gz IMNONKAADOKZCO-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997080442 633567906 /nfs/dbraw/zinc/56/79/06/633567906.db2.gz VFEKNXXUQJEVDT-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027448377 633801005 /nfs/dbraw/zinc/80/10/05/633801005.db2.gz IDPSMKFMTDLAPA-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977217252 633882447 /nfs/dbraw/zinc/88/24/47/633882447.db2.gz RIMFOTZLIPBBRQ-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588057 633887457 /nfs/dbraw/zinc/88/74/57/633887457.db2.gz VFEKNXXUQJEVDT-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997677511 633927608 /nfs/dbraw/zinc/92/76/08/633927608.db2.gz QUDGMDHUIAEDKN-HNNXBMFYSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998020082 634114596 /nfs/dbraw/zinc/11/45/96/634114596.db2.gz UPRAPAXTADHLCO-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001027609982 634279159 /nfs/dbraw/zinc/27/91/59/634279159.db2.gz HLRQUYPHYLXPGU-GOEBONIOSA-N 2 0 304.438 2.087 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000892566 635331283 /nfs/dbraw/zinc/33/12/83/635331283.db2.gz CCJIDKKVOVGCIV-GOSISDBHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981364362 635454493 /nfs/dbraw/zinc/45/44/93/635454493.db2.gz NFVATDKQTLVSLJ-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000981448882 635480231 /nfs/dbraw/zinc/48/02/31/635480231.db2.gz XWTBSKOCTSZGMK-QZTJIDSGSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957325702 635503339 /nfs/dbraw/zinc/50/33/39/635503339.db2.gz UJPGJBAONBQIIR-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000981535891 635520352 /nfs/dbraw/zinc/52/03/52/635520352.db2.gz WSHQSIOHAYIGRS-ZWKOTPCHSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001523345 635521189 /nfs/dbraw/zinc/52/11/89/635521189.db2.gz RVMLGSWQVXVWQX-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001751720 635549059 /nfs/dbraw/zinc/54/90/59/635549059.db2.gz NNYUBKHGUSBENE-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981776407 635640557 /nfs/dbraw/zinc/64/05/57/635640557.db2.gz MWANMZBCCDJRLA-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028252130 635960986 /nfs/dbraw/zinc/96/09/86/635960986.db2.gz QWAHIEWPCJRSDC-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001003518390 635985938 /nfs/dbraw/zinc/98/59/38/635985938.db2.gz OCZSNCGKVGPZOY-UHFFFAOYSA-N 2 0 305.422 2.112 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003939806 636091965 /nfs/dbraw/zinc/09/19/65/636091965.db2.gz BKOFJHQWSFFJJT-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000922384563 636151376 /nfs/dbraw/zinc/15/13/76/636151376.db2.gz DFXUSAMUWSPCJC-VQHPVUNQSA-N 2 0 319.474 2.189 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004462477 636460802 /nfs/dbraw/zinc/46/08/02/636460802.db2.gz DIFOTLFLMNTQHU-MSOLQXFVSA-N 2 0 321.509 2.462 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594511 636464129 /nfs/dbraw/zinc/46/41/29/636464129.db2.gz HQLPNQVCWCLSNM-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004538619 636481225 /nfs/dbraw/zinc/48/12/25/636481225.db2.gz DIFOTLFLMNTQHU-ZWKOTPCHSA-N 2 0 321.509 2.462 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004540003 636485864 /nfs/dbraw/zinc/48/58/64/636485864.db2.gz AOOFCWYCGFSWDD-WMZOPIPTSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710243 636573248 /nfs/dbraw/zinc/57/32/48/636573248.db2.gz KGBSBRSOVMMARD-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901322 636830918 /nfs/dbraw/zinc/83/09/18/636830918.db2.gz AFNJUXZZBITKKX-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921216 636854705 /nfs/dbraw/zinc/85/47/05/636854705.db2.gz NEIUBSMPTVZSED-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)CN1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005994664 637052441 /nfs/dbraw/zinc/05/24/41/637052441.db2.gz GXROLPNUEXPBII-CQSZACIVSA-N 2 0 313.873 2.146 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742109 637216001 /nfs/dbraw/zinc/21/60/01/637216001.db2.gz GTPJWLJSFOHQEP-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006283182 637322699 /nfs/dbraw/zinc/32/26/99/637322699.db2.gz JSDOYWVYOAMCKW-NVXWUHKLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006293297 637330679 /nfs/dbraw/zinc/33/06/79/637330679.db2.gz GAGNVACCQGWMOU-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000896622363 638611237 /nfs/dbraw/zinc/61/12/37/638611237.db2.gz FHQKTHUOEHPMAC-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000985608314 639543649 /nfs/dbraw/zinc/54/36/49/639543649.db2.gz RGDISXGXVAEGGO-UHFFFAOYSA-N 2 0 305.422 2.064 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000985801569 639643093 /nfs/dbraw/zinc/64/30/93/639643093.db2.gz HAVCTOJTRXDYGY-HZPDHXFCSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000987187112 640113497 /nfs/dbraw/zinc/11/34/97/640113497.db2.gz ANBQJPJVTWSUDN-RHSMWYFYSA-N 2 0 301.434 2.127 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000987553395 640219196 /nfs/dbraw/zinc/21/91/96/640219196.db2.gz UORVBRRPQMITOX-YOEHRIQHSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000764628800 640667155 /nfs/dbraw/zinc/66/71/55/640667155.db2.gz YAHKTRCRIZKZGT-UHFFFAOYSA-N 2 0 303.450 2.131 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000989633544 641174264 /nfs/dbraw/zinc/17/42/64/641174264.db2.gz YDERIKLIWAVSPM-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000924643517 641534857 /nfs/dbraw/zinc/53/48/57/641534857.db2.gz OHWJPAJQJRPFGV-CRAIPNDOSA-N 2 0 315.461 2.324 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000900001700 642233514 /nfs/dbraw/zinc/23/35/14/642233514.db2.gz CYYIBTJQKCAAAT-UHFFFAOYSA-N 2 0 315.461 2.407 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000900406446 642359540 /nfs/dbraw/zinc/35/95/40/642359540.db2.gz QJJPRJZOAOTERL-KRWDZBQOSA-N 2 0 303.450 2.222 20 30 DEEDRP N#Cc1cnccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793298 643457229 /nfs/dbraw/zinc/45/72/29/643457229.db2.gz QRNLXXRBKRGQHZ-UHFFFAOYSA-N 2 0 306.413 2.446 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000909919719 645244082 /nfs/dbraw/zinc/24/40/82/645244082.db2.gz ZZXOCSLMUJFHFP-UHFFFAOYSA-N 2 0 309.479 2.146 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000991992957 646823261 /nfs/dbraw/zinc/82/32/61/646823261.db2.gz HCIUNWVMHPVABZ-YQVWRLOYSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992189939 646895057 /nfs/dbraw/zinc/89/50/57/646895057.db2.gz OEZQBMALTHVRFI-SOLBZPMBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992435926 647001351 /nfs/dbraw/zinc/00/13/51/647001351.db2.gz VQXUYPLWZHCRBC-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993546388 647694036 /nfs/dbraw/zinc/69/40/36/647694036.db2.gz KDVBWKBANBEOQI-WMLDXEAASA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993619013 647708434 /nfs/dbraw/zinc/70/84/34/647708434.db2.gz WCUOAIIERDDLFU-YOEHRIQHSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994078211 647785638 /nfs/dbraw/zinc/78/56/38/647785638.db2.gz HBBVKONIJSGSQZ-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994253242 647861523 /nfs/dbraw/zinc/86/15/23/647861523.db2.gz NDXHQIWMRPITEM-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947883138 648589091 /nfs/dbraw/zinc/58/90/91/648589091.db2.gz YYFIFVAKDXTQFH-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745655 648933179 /nfs/dbraw/zinc/93/31/79/648933179.db2.gz RUCYIEDMEORQOY-DLBZAZTESA-N 2 0 319.493 2.121 20 30 DEEDRP C[NH+](C)C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCC1 ZINC000083029885 649640414 /nfs/dbraw/zinc/64/04/14/649640414.db2.gz QPFJVRUMLWSILA-HNNXBMFYSA-N 2 0 316.449 2.289 20 30 DEEDRP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1F ZINC000848413445 651457195 /nfs/dbraw/zinc/45/71/95/651457195.db2.gz DWEJKUVEGIBFOD-OAHLLOKOSA-N 2 0 306.385 2.237 20 30 DEEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000849000021 651577620 /nfs/dbraw/zinc/57/76/20/651577620.db2.gz HCDKTTNDZJFDHT-HOTGVXAUSA-N 2 0 310.486 2.324 20 30 DEEDRP C#CCOc1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000111386605 652561869 /nfs/dbraw/zinc/56/18/69/652561869.db2.gz KBCOOYDNLBUTCR-SFHVURJKSA-N 2 0 316.445 2.025 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)cc1OC ZINC000304746578 685258683 /nfs/dbraw/zinc/25/86/83/685258683.db2.gz FXNAVVWYTUXSJC-CQSZACIVSA-N 2 0 324.856 2.237 20 30 DEEDRP CCCCCCNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304757995 685259689 /nfs/dbraw/zinc/25/96/89/685259689.db2.gz PMVBPRYHUYAFJM-UHFFFAOYSA-N 2 0 310.486 2.116 20 30 DEEDRP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C12CCCC2 ZINC000304757957 685260171 /nfs/dbraw/zinc/26/01/71/685260171.db2.gz PLBDICHZYHPQOR-HRCADAONSA-N 2 0 322.497 2.113 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1Cl ZINC000130791205 684192628 /nfs/dbraw/zinc/19/26/28/684192628.db2.gz SGRASHLTIMNKII-CYBMUJFWSA-N 2 0 324.856 2.107 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145482 693861972 /nfs/dbraw/zinc/86/19/72/693861972.db2.gz QRLGNRWDMBLVFH-HKUYNNGSSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154776 693865311 /nfs/dbraw/zinc/86/53/11/693865311.db2.gz VQZILXFAGXLUSN-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP CC[N@H+](CCNC(=[NH2+])Nc1cc(OC)ccc1OC)C(C)C ZINC000303980083 685241508 /nfs/dbraw/zinc/24/15/08/685241508.db2.gz NURGUYJLFVAMTP-UHFFFAOYSA-N 2 0 308.426 2.161 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016319252 687590920 /nfs/dbraw/zinc/59/09/20/687590920.db2.gz ATAQLYACFWHTPF-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590241 687622329 /nfs/dbraw/zinc/62/23/29/687622329.db2.gz PHALOJXRIVIWQP-INIZCTEOSA-N 2 0 312.461 2.331 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016618215 687665862 /nfs/dbraw/zinc/66/58/62/687665862.db2.gz QUBVPJIYPULHBN-CVEARBPZSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016619874 687666533 /nfs/dbraw/zinc/66/65/33/687666533.db2.gz DOFABUDESJTXBW-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016686961 687682581 /nfs/dbraw/zinc/68/25/81/687682581.db2.gz FJSHSBUHYPSAFG-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016805912 687707369 /nfs/dbraw/zinc/70/73/69/687707369.db2.gz DOYVLYHCACJRJZ-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862126 687720378 /nfs/dbraw/zinc/72/03/78/687720378.db2.gz RUKXVHQORSYBJZ-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016862123 687721032 /nfs/dbraw/zinc/72/10/32/687721032.db2.gz RUKXVHQORSYBJZ-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001017905874 687994840 /nfs/dbraw/zinc/99/48/40/687994840.db2.gz OQYDOQVRAOHQRS-IXDOHACOSA-N 2 0 307.482 2.214 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845556 688545227 /nfs/dbraw/zinc/54/52/27/688545227.db2.gz MLWJBYZXWGQRSP-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001032445972 689153570 /nfs/dbraw/zinc/15/35/70/689153570.db2.gz SWQTUWPGEVHVEO-ULQDDVLXSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803891 689265461 /nfs/dbraw/zinc/26/54/61/689265461.db2.gz PMSMTYKOKFFXBA-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470656 689513325 /nfs/dbraw/zinc/51/33/25/689513325.db2.gz BYKXTXCPIVKIMN-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825984 689627830 /nfs/dbraw/zinc/62/78/30/689627830.db2.gz LCIKDDMSHFBBPX-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033830430 689629750 /nfs/dbraw/zinc/62/97/50/689629750.db2.gz IEKJDOCQILSWLN-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034330969 689811055 /nfs/dbraw/zinc/81/10/55/689811055.db2.gz QQBMOKJWOVCEGS-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034433886 689849018 /nfs/dbraw/zinc/84/90/18/689849018.db2.gz HVHLKVQEMJECKO-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876728711 689918518 /nfs/dbraw/zinc/91/85/18/689918518.db2.gz SYGSMSOGQVWUDY-HZPDHXFCSA-N 2 0 321.852 2.237 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000876916727 689972361 /nfs/dbraw/zinc/97/23/61/689972361.db2.gz ZDDDQGXMISTVLT-SNVBAGLBSA-N 2 0 314.842 2.019 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000877221490 690049245 /nfs/dbraw/zinc/04/92/45/690049245.db2.gz PUCNOKGUDUIUDJ-JKSUJKDBSA-N 2 0 321.852 2.155 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035739256 690165292 /nfs/dbraw/zinc/16/52/92/690165292.db2.gz UTEWCLCHSJIRSY-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=CCN(CC=C)C(=O)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702288 690710174 /nfs/dbraw/zinc/71/01/74/690710174.db2.gz IZXYCWUUDMPWSG-UHFFFAOYSA-N 2 0 321.509 2.487 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039283135 691074728 /nfs/dbraw/zinc/07/47/28/691074728.db2.gz HQFYCXJBFQYBBP-AJYUKVHDSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040263865 691222124 /nfs/dbraw/zinc/22/21/24/691222124.db2.gz JCYDGJIVYZUFBC-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040849313 691292491 /nfs/dbraw/zinc/29/24/91/691292491.db2.gz QIXZKHOXPJSGLF-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCO1 ZINC000883186100 691452311 /nfs/dbraw/zinc/45/23/11/691452311.db2.gz LJMNOKUKGGOHLA-MOPGFXCFSA-N 2 0 323.525 2.363 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063535 691496046 /nfs/dbraw/zinc/49/60/46/691496046.db2.gz YNYFLAYSTTUAMC-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042188265 691531962 /nfs/dbraw/zinc/53/19/62/691531962.db2.gz RGCKWYPQNSEWBJ-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001044800651 691888775 /nfs/dbraw/zinc/88/87/75/691888775.db2.gz LSACZXMFQYVMJH-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438920 691981088 /nfs/dbraw/zinc/98/10/88/691981088.db2.gz WZZMULRJCXIRHC-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000886080704 691999524 /nfs/dbraw/zinc/99/95/24/691999524.db2.gz FXSXWPFMMHNJGJ-RYQLBKOJSA-N 2 0 317.477 2.380 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943708 692058645 /nfs/dbraw/zinc/05/86/45/692058645.db2.gz NCJQUEFWXROTJE-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436190 692186886 /nfs/dbraw/zinc/18/68/86/692186886.db2.gz NELKSEPXMBPVDP-SFHVURJKSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172456 692779345 /nfs/dbraw/zinc/77/93/45/692779345.db2.gz WWIQKTJILDNDTL-BDXSIMOUSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235867 692796290 /nfs/dbraw/zinc/79/62/90/692796290.db2.gz WIDOVDJTOYJWNP-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049515031 692907987 /nfs/dbraw/zinc/90/79/87/692907987.db2.gz LCQVNRAUIMOMGP-IRXDYDNUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049535937 692914950 /nfs/dbraw/zinc/91/49/50/692914950.db2.gz LEUQRJONYWFYRV-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637928 692948437 /nfs/dbraw/zinc/94/84/37/692948437.db2.gz JCHHKORSLYXAHX-CVEARBPZSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049724796 692976949 /nfs/dbraw/zinc/97/69/49/692976949.db2.gz UCCDVLMJLVWWSU-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806911 693006788 /nfs/dbraw/zinc/00/67/88/693006788.db2.gz PPEDWVDDNCZUSN-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050137860 693118179 /nfs/dbraw/zinc/11/81/79/693118179.db2.gz HDHYVRPWQMXGJJ-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050144932 693120671 /nfs/dbraw/zinc/12/06/71/693120671.db2.gz UMNYTKKIPOJKJS-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050519441 693199492 /nfs/dbraw/zinc/19/94/92/693199492.db2.gz IHXDOFKOVBUYJR-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523852 693200116 /nfs/dbraw/zinc/20/01/16/693200116.db2.gz KJTCJHJYBWKVDR-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001050694828 693233708 /nfs/dbraw/zinc/23/37/08/693233708.db2.gz LKBMCQNWICPINA-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925724819 693330070 /nfs/dbraw/zinc/33/00/70/693330070.db2.gz DNFCFYGYDVYTSQ-ROUUACIJSA-N 2 0 310.445 2.387 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052395692 693522929 /nfs/dbraw/zinc/52/29/29/693522929.db2.gz YDRRXIZMOLQKSL-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446863 693537483 /nfs/dbraw/zinc/53/74/83/693537483.db2.gz RURMDJNFXIUANZ-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052657937 693590074 /nfs/dbraw/zinc/59/00/74/693590074.db2.gz ASHQDLVZVUXOAG-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764417 693614674 /nfs/dbraw/zinc/61/46/74/693614674.db2.gz OUTYQYPMJJLDMH-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)CN1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402220529 1162295339 /nfs/dbraw/zinc/29/53/39/1162295339.db2.gz GFBDULGHFUJPEU-INIZCTEOSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001380076582 1152746246 /nfs/dbraw/zinc/74/62/46/1152746246.db2.gz RATZXPVVDCYINL-CYBMUJFWSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001403032646 1162641072 /nfs/dbraw/zinc/64/10/72/1162641072.db2.gz QSVBGSKIGMDDKI-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP 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 1158796476 /nfs/dbraw/zinc/79/64/76/1158796476.db2.gz KYNOTFMQCPOOJV-NMWPEEMBSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001375573619 1158817774 /nfs/dbraw/zinc/81/77/74/1158817774.db2.gz DEROREWDCLOTLC-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001401833440 1162148879 /nfs/dbraw/zinc/14/88/79/1162148879.db2.gz WJTNAZFUSZFWMH-HUUCEWRRSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001419614953 1168684976 /nfs/dbraw/zinc/68/49/76/1168684976.db2.gz MTDQFZPYSHNWCO-CYBMUJFWSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1 ZINC001421836777 1172032452 /nfs/dbraw/zinc/03/24/52/1172032452.db2.gz FAAVJRFAOARRNI-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001422991660 1173003004 /nfs/dbraw/zinc/00/30/04/1173003004.db2.gz RDYPYQZNUNUOHU-CQSZACIVSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001424856473 1173992896 /nfs/dbraw/zinc/99/28/96/1173992896.db2.gz MULYFCUFTDHBKC-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001441650520 1182113493 /nfs/dbraw/zinc/11/34/93/1182113493.db2.gz KJQRDGHBZZAUDK-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001444823106 1183571857 /nfs/dbraw/zinc/57/18/57/1183571857.db2.gz CPBISGAXWPOWAX-KGLIPLIRSA-N 2 0 324.856 2.312 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001446960641 1184592613 /nfs/dbraw/zinc/59/26/13/1184592613.db2.gz YFTHYMGUESJNLA-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001330621163 1149213416 /nfs/dbraw/zinc/21/34/16/1149213416.db2.gz HNHJUQDOYARYPE-BRWVUGGUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001332217568 1149836415 /nfs/dbraw/zinc/83/64/15/1149836415.db2.gz IHRRNEIQDYLNKI-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001122210695 782477542 /nfs/dbraw/zinc/47/75/42/782477542.db2.gz OXPAWYPIVFVLFO-WBVHZDCISA-N 2 0 307.482 2.298 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106358312 782669953 /nfs/dbraw/zinc/66/99/53/782669953.db2.gz ZUXVECICGAYFLC-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099239780 782810340 /nfs/dbraw/zinc/81/03/40/782810340.db2.gz JXMNEJHLYGQNNL-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001099240646 782815921 /nfs/dbraw/zinc/81/59/21/782815921.db2.gz UHMAKPMYHLTBBK-INIZCTEOSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552998 783170811 /nfs/dbraw/zinc/17/08/11/783170811.db2.gz YSTAZHOARAUJEO-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726283 783213734 /nfs/dbraw/zinc/21/37/34/783213734.db2.gz LPZCQKZAUNNFDV-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726286 783214712 /nfs/dbraw/zinc/21/47/12/783214712.db2.gz LPZCQKZAUNNFDV-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104310761 777015337 /nfs/dbraw/zinc/01/53/37/777015337.db2.gz HDNYPAYPCGTNGF-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317391 777780774 /nfs/dbraw/zinc/78/07/74/777780774.db2.gz HKHSXODSMATMTK-NJAFHUGGSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104665980 778006673 /nfs/dbraw/zinc/00/66/73/778006673.db2.gz JUUDNLZRSGZMJP-KURKYZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(Cl)cccc1C#N ZINC001143726661 790637442 /nfs/dbraw/zinc/63/74/42/790637442.db2.gz XJOIUMQZXGXESO-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)Cc2[nH]cnc2C)CC1 ZINC001167901327 778766584 /nfs/dbraw/zinc/76/65/84/778766584.db2.gz SRFWKQVJBMBCOW-UHFFFAOYSA-N 2 0 304.438 2.103 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982506001 778843404 /nfs/dbraw/zinc/84/34/04/778843404.db2.gz BSNIXBPBLZBSAE-KDURUIRLSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171117415 790681450 /nfs/dbraw/zinc/68/14/50/790681450.db2.gz AKRSVLWDANQUJJ-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087660027 779401996 /nfs/dbraw/zinc/40/19/96/779401996.db2.gz ODBZOPZRFWBABW-DLBZAZTESA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077206 779680976 /nfs/dbraw/zinc/68/09/76/779680976.db2.gz NOSYJDNXSRIAPH-SQNIBIBYSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352906 780014439 /nfs/dbraw/zinc/01/44/39/780014439.db2.gz MAQXIEBXQOGYNK-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168326761 780842567 /nfs/dbraw/zinc/84/25/67/780842567.db2.gz HXZVOIUZSXRORJ-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616799 783280268 /nfs/dbraw/zinc/28/02/68/783280268.db2.gz NYUFCRYWSYPFBB-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171195872 790937674 /nfs/dbraw/zinc/93/76/74/790937674.db2.gz VJEZYFGKQREGOU-WBAXXEDZSA-N 2 0 313.445 2.460 20 30 DEEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732157 783397302 /nfs/dbraw/zinc/39/73/02/783397302.db2.gz NQYJTLTYASZEDD-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP 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 783543687 /nfs/dbraw/zinc/54/36/87/783543687.db2.gz GZKBPIOFEGQMLK-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085225340 783590913 /nfs/dbraw/zinc/59/09/13/783590913.db2.gz RXBJQKADTZPCDX-KZNAEPCWSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778641 784066725 /nfs/dbraw/zinc/06/67/25/784066725.db2.gz CZSSHRHYKACQBA-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086138663 784431688 /nfs/dbraw/zinc/43/16/88/784431688.db2.gz VAMUPCFYWOLRGC-XBXGTLAGSA-N 2 0 318.808 2.185 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086381735 784633844 /nfs/dbraw/zinc/63/38/44/784633844.db2.gz GNZSADUMJSMAIX-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008771702 785299818 /nfs/dbraw/zinc/29/98/18/785299818.db2.gz UXPPYBNRZBGZLU-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749661 785524043 /nfs/dbraw/zinc/52/40/43/785524043.db2.gz HKKWRGHUXOFCQG-KKUMJFAQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108751726 785524105 /nfs/dbraw/zinc/52/41/05/785524105.db2.gz YMDVIZBBTLMVMM-ULQDDVLXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799268 786059577 /nfs/dbraw/zinc/05/95/77/786059577.db2.gz QQWZDFOROGOWIV-SQNIBIBYSA-N 2 0 319.493 2.406 20 30 DEEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109964234 786115584 /nfs/dbraw/zinc/11/55/84/786115584.db2.gz GAYIXHPNMWCNJG-SQNIBIBYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982802 786121119 /nfs/dbraw/zinc/12/11/19/786121119.db2.gz SITNTEBGWGSUHN-YVSFHVDLSA-N 2 0 317.477 2.158 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533339 786125640 /nfs/dbraw/zinc/12/56/40/786125640.db2.gz HKTMOXCGYFHPIQ-QBPKDAKJSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112566352 786159849 /nfs/dbraw/zinc/15/98/49/786159849.db2.gz YUFUJZBQUBJNFR-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112960491 786328870 /nfs/dbraw/zinc/32/88/70/786328870.db2.gz MGXHTZWYINFRKT-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210874 787967975 /nfs/dbraw/zinc/96/79/75/787967975.db2.gz KMZKNMSBLLPNHE-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265118 787996394 /nfs/dbraw/zinc/99/63/94/787996394.db2.gz IGDLXJJFKNTNMI-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266745 787997601 /nfs/dbraw/zinc/99/76/01/787997601.db2.gz ZLHXOBGABKZDES-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453035 788153208 /nfs/dbraw/zinc/15/32/08/788153208.db2.gz KYJGQKBUDCMYOU-ZACQAIPSSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064876 788270940 /nfs/dbraw/zinc/27/09/40/788270940.db2.gz QNAGQDCBIAKTES-HOCLYGCPSA-N 2 0 319.449 2.215 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170752242 788939419 /nfs/dbraw/zinc/93/94/19/788939419.db2.gz YRUQTEBJPPJLOX-IRXDYDNUSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001134790805 789087564 /nfs/dbraw/zinc/08/75/64/789087564.db2.gz ITZMMFQDOUXUIS-LSDHHAIUSA-N 2 0 307.482 2.146 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994472 789157081 /nfs/dbraw/zinc/15/70/81/789157081.db2.gz RGHHNFOXALLVLK-UONOGXRCSA-N 2 0 300.406 2.397 20 30 DEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170816360 789352548 /nfs/dbraw/zinc/35/25/48/789352548.db2.gz DAOVHFVXWHUIBN-WBVHZDCISA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1ccnc1C(C)C ZINC001135625972 789420842 /nfs/dbraw/zinc/42/08/42/789420842.db2.gz PFZDJWLMKWZDTA-LSDHHAIUSA-N 2 0 306.454 2.456 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135690900 789451424 /nfs/dbraw/zinc/45/14/24/789451424.db2.gz LOWTZKXIAOFAPI-IRXDYDNUSA-N 2 0 309.498 2.395 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071645463 789837504 /nfs/dbraw/zinc/83/75/04/789837504.db2.gz JPZPAJPNWBSJDG-CVEARBPZSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686079 791266235 /nfs/dbraw/zinc/26/62/35/791266235.db2.gz NHIQXGXGFITNNQ-ULQDDVLXSA-N 2 0 307.482 2.404 20 30 DEEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748407 791799389 /nfs/dbraw/zinc/79/93/89/791799389.db2.gz RQDIHTMIVVZZHI-KRWDZBQOSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956436 791863998 /nfs/dbraw/zinc/86/39/98/791863998.db2.gz NPBAJJMRQSCKEY-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001092302276 791974203 /nfs/dbraw/zinc/97/42/03/791974203.db2.gz WNTLZOHQNBPWTD-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001099027706 792045946 /nfs/dbraw/zinc/04/59/46/792045946.db2.gz QLILXJZWABOIOT-BQFCYCMXSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001092906991 792168469 /nfs/dbraw/zinc/16/84/69/792168469.db2.gz OPEGEFVFKGMZJK-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP 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 792223321 /nfs/dbraw/zinc/22/33/21/792223321.db2.gz LSQFXHIRZBYPPA-NXOAAHMSSA-N 2 0 319.493 2.072 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539142 792234278 /nfs/dbraw/zinc/23/42/78/792234278.db2.gz ZJIIKLWMTNWINW-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617152 792752165 /nfs/dbraw/zinc/75/21/65/792752165.db2.gz FYOZQCYIGNXZMK-QQFBHYJXSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171539374 793113601 /nfs/dbraw/zinc/11/36/01/793113601.db2.gz TZRUBCGLUANCKT-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443968 793164580 /nfs/dbraw/zinc/16/45/80/793164580.db2.gz RNQDXBYZJDUTBX-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001101547781 793224439 /nfs/dbraw/zinc/22/44/39/793224439.db2.gz PFOAPAVPRWVEKU-QGZVFWFLSA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171922682 793261063 /nfs/dbraw/zinc/26/10/63/793261063.db2.gz ASPZFRWPBGDARB-SJLPKXTDSA-N 2 0 319.493 2.149 20 30 DEEDRP COCCN1CCOC[C@@]2(CCC[N@@H+]([C@H](C)CCCC#N)C2)C1 ZINC001172496731 793437792 /nfs/dbraw/zinc/43/77/92/793437792.db2.gz PMVFWWWMFNMBBW-MSOLQXFVSA-N 2 0 323.481 2.130 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357962 793584987 /nfs/dbraw/zinc/58/49/87/793584987.db2.gz PNTPKLPDNJEAQL-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185556 793974553 /nfs/dbraw/zinc/97/45/53/793974553.db2.gz CXQRNABXQCJMKE-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175966385 794320927 /nfs/dbraw/zinc/32/09/27/794320927.db2.gz AEHDUVDPJPSSGB-KRWDZBQOSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176194171 794372583 /nfs/dbraw/zinc/37/25/83/794372583.db2.gz ZZPQIAVIXIQSBH-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001111658576 794450673 /nfs/dbraw/zinc/45/06/73/794450673.db2.gz GQNVKFPHFDLKTA-JZXOWHBKSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753019 794496501 /nfs/dbraw/zinc/49/65/01/794496501.db2.gz CEYNNMUYOQBCAE-MSOLQXFVSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753799 794497080 /nfs/dbraw/zinc/49/70/80/794497080.db2.gz NJRATNULNRKCMX-ZWKOTPCHSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176759272 794499227 /nfs/dbraw/zinc/49/92/27/794499227.db2.gz HTYZVNNODLKFOX-MSOLQXFVSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC2CCCC2)CC1 ZINC001176926361 794529724 /nfs/dbraw/zinc/52/97/24/794529724.db2.gz KBBPIJIXZPIGFT-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948467 794539273 /nfs/dbraw/zinc/53/92/73/794539273.db2.gz YLYYMPMXFFWZPM-UHFFFAOYSA-N 2 0 309.841 2.210 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582286 794829224 /nfs/dbraw/zinc/82/92/24/794829224.db2.gz TZRFLMPYNUJTHL-INIZCTEOSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCCC1 ZINC001115648299 794859190 /nfs/dbraw/zinc/85/91/90/794859190.db2.gz KCMAXCRZQFNDMR-KRWDZBQOSA-N 2 0 319.493 2.456 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001115787017 794919816 /nfs/dbraw/zinc/91/98/16/794919816.db2.gz DUBVRLZEMGJQBY-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178633827 794961621 /nfs/dbraw/zinc/96/16/21/794961621.db2.gz GUXZNNXBMGRTKV-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808543 795001270 /nfs/dbraw/zinc/00/12/70/795001270.db2.gz MGMGVAKHXLGUGF-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178915350 795029922 /nfs/dbraw/zinc/02/99/22/795029922.db2.gz HEPVGGZZZKCLMD-QGZVFWFLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652966 795147418 /nfs/dbraw/zinc/14/74/18/795147418.db2.gz VAJVZMSFFLFMBA-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC001179841394 795186908 /nfs/dbraw/zinc/18/69/08/795186908.db2.gz WCRFHGNVVJORJE-YJBOKZPZSA-N 2 0 322.412 2.088 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001180031181 795227787 /nfs/dbraw/zinc/22/77/87/795227787.db2.gz LJOFLYHIYTYJBY-UHFFFAOYSA-N 2 0 319.493 2.008 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC)CC1 ZINC001180360309 795282000 /nfs/dbraw/zinc/28/20/00/795282000.db2.gz CHTNVTBXQOLXDC-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369373 795291474 /nfs/dbraw/zinc/29/14/74/795291474.db2.gz BGUWSYTUSBPWLE-UHFFFAOYSA-N 2 0 303.878 2.345 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)Cc2cncn2C)CCCCC1 ZINC001120009723 795388960 /nfs/dbraw/zinc/38/89/60/795388960.db2.gz DRVDGCPSUBSPBK-UHFFFAOYSA-N 2 0 318.465 2.338 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190094 795419750 /nfs/dbraw/zinc/41/97/50/795419750.db2.gz ROCUUDHFFWRLFI-CALCHBBNSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001120196283 795420187 /nfs/dbraw/zinc/42/01/87/795420187.db2.gz DBOUBNLIIJZPHK-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181441529 795480073 /nfs/dbraw/zinc/48/00/73/795480073.db2.gz QCSPCFSTKOITCR-SOLBZPMBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720416 795524500 /nfs/dbraw/zinc/52/45/00/795524500.db2.gz CVRQQGKNSOKBSQ-ZHALLVOQSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720417 795524658 /nfs/dbraw/zinc/52/46/58/795524658.db2.gz CVRQQGKNSOKBSQ-ZIFCJYIRSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121768002 795685136 /nfs/dbraw/zinc/68/51/36/795685136.db2.gz UXRSMRQCNXRQLS-JFPDKAJLSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629318 795714764 /nfs/dbraw/zinc/71/47/64/795714764.db2.gz COBLKOMOOXJDEV-ZHALLVOQSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122101231 795725834 /nfs/dbraw/zinc/72/58/34/795725834.db2.gz ITTWPPSXAPZDSV-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177690 795732775 /nfs/dbraw/zinc/73/27/75/795732775.db2.gz IEYJHAHBTVOECJ-YCTIJVIUSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3nccn32)C[C@@H]1C ZINC001184799770 796127781 /nfs/dbraw/zinc/12/77/81/796127781.db2.gz QHLSDPCIIYGSHI-GJZGRUSLSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428296 796405342 /nfs/dbraw/zinc/40/53/42/796405342.db2.gz OSAZLVVVVFKAGA-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001186428297 796405385 /nfs/dbraw/zinc/40/53/85/796405385.db2.gz OSAZLVVVVFKAGA-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(C#N)ccc1F ZINC001139651728 796407119 /nfs/dbraw/zinc/40/71/19/796407119.db2.gz SZCWSNBMSAGWGS-UHFFFAOYSA-N 2 0 320.456 2.403 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187090575 796487075 /nfs/dbraw/zinc/48/70/75/796487075.db2.gz CLQBFJPOIOZIOC-DLBZAZTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135868 796773557 /nfs/dbraw/zinc/77/35/57/796773557.db2.gz QGPFXYLJLOXTMX-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192407168 797386900 /nfs/dbraw/zinc/38/69/00/797386900.db2.gz RYRZWOPJUGCCJG-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802233 797399669 /nfs/dbraw/zinc/39/96/69/797399669.db2.gz FYUSBCANWURTBL-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001193381945 797556636 /nfs/dbraw/zinc/55/66/36/797556636.db2.gz CLWINHGAMMNSHG-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193424896 797564499 /nfs/dbraw/zinc/56/44/99/797564499.db2.gz QMKNWLUAONKJQJ-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071322 797673199 /nfs/dbraw/zinc/67/31/99/797673199.db2.gz FSEJMANABJWIAB-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195817378 797960283 /nfs/dbraw/zinc/96/02/83/797960283.db2.gz PWNYDALBKWYXRO-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197149571 798155004 /nfs/dbraw/zinc/15/50/04/798155004.db2.gz BLSKISAWGXKURQ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C(=O)OCCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001157308331 798180762 /nfs/dbraw/zinc/18/07/62/798180762.db2.gz MUOFVWGTXXYSBR-UHFFFAOYSA-N 2 0 319.405 2.086 20 30 DEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202451 798359189 /nfs/dbraw/zinc/35/91/89/798359189.db2.gz VXWJUSWJGOSGOS-KRWDZBQOSA-N 2 0 309.498 2.395 20 30 DEEDRP N#Cc1cc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)nc2ccccc12 ZINC001158270990 798370866 /nfs/dbraw/zinc/37/08/66/798370866.db2.gz WZWCVXQGBRZDGC-OAHLLOKOSA-N 2 0 321.428 2.108 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160699351 798724449 /nfs/dbraw/zinc/72/44/49/798724449.db2.gz HIJPBSGKVRBVTO-UHFFFAOYSA-N 2 0 322.412 2.110 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201440931 798758347 /nfs/dbraw/zinc/75/83/47/798758347.db2.gz PZFSCWZMDRGKJP-UHFFFAOYSA-N 2 0 305.466 2.162 20 30 DEEDRP C#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001161496776 798870492 /nfs/dbraw/zinc/87/04/92/798870492.db2.gz GLBJSJGLDQBSHH-UHFFFAOYSA-N 2 0 319.493 2.270 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001202473290 798907781 /nfs/dbraw/zinc/90/77/81/798907781.db2.gz HKQULFCWDAPDJF-HNNXBMFYSA-N 2 0 315.889 2.440 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161953353 798978537 /nfs/dbraw/zinc/97/85/37/798978537.db2.gz SYRCOQQISXDODD-SFHVURJKSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001202765324 799481642 /nfs/dbraw/zinc/48/16/42/799481642.db2.gz UZDJYDZZBZILLS-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202771612 799486678 /nfs/dbraw/zinc/48/66/78/799486678.db2.gz IWKNQIUMMVZTOV-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956435 799795630 /nfs/dbraw/zinc/79/56/30/799795630.db2.gz IYTPJSHQBKIGRP-OAGGEKHMSA-N 2 0 305.466 2.016 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403751 799867789 /nfs/dbraw/zinc/86/77/89/799867789.db2.gz NBZCJLQDFNJFHF-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001203360756 800040214 /nfs/dbraw/zinc/04/02/14/800040214.db2.gz DCLPVFDNSANMPP-UHFFFAOYSA-N 2 0 316.449 2.308 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730482 800113229 /nfs/dbraw/zinc/11/32/29/800113229.db2.gz LJWMWVLNNQTPAC-HZPDHXFCSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770484 800120097 /nfs/dbraw/zinc/12/00/97/800120097.db2.gz GQSVCJRMJIFBBK-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001205852747 800433153 /nfs/dbraw/zinc/43/31/53/800433153.db2.gz HEYSRRKMBJUAER-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014485 800894127 /nfs/dbraw/zinc/89/41/27/800894127.db2.gz QRXJUPNUTBHXHK-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208264365 800943783 /nfs/dbraw/zinc/94/37/83/800943783.db2.gz KSBWRIYWFOXJFF-OAHLLOKOSA-N 2 0 319.474 2.027 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750272 801063399 /nfs/dbraw/zinc/06/33/99/801063399.db2.gz ZTNFJRCXQZJDLT-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210633487 801435947 /nfs/dbraw/zinc/43/59/47/801435947.db2.gz DPPISYLKLAPEOG-QZTJIDSGSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214667906 801745976 /nfs/dbraw/zinc/74/59/76/801745976.db2.gz HGISIVDKXMYCOS-YYIAUSFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298711 801831302 /nfs/dbraw/zinc/83/13/02/801831302.db2.gz DQKLJUIEHGHVSG-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453558 801863347 /nfs/dbraw/zinc/86/33/47/801863347.db2.gz IGVLICPFPAGNTB-BFYDXBDKSA-N 2 0 307.482 2.119 20 30 DEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(CC#N)c1 ZINC001219518364 802340179 /nfs/dbraw/zinc/34/01/79/802340179.db2.gz HVWHKCUXLOJHHX-INIZCTEOSA-N 2 0 320.412 2.326 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223512264 802797455 /nfs/dbraw/zinc/79/74/55/802797455.db2.gz DLAINUYEXMOKHZ-IKGGRYGDSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223721993 802811510 /nfs/dbraw/zinc/81/15/10/802811510.db2.gz OKGDVJFKPCATCE-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224753657 802900568 /nfs/dbraw/zinc/90/05/68/802900568.db2.gz LSCVQCIRYHKLOV-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001227224705 803217980 /nfs/dbraw/zinc/21/79/80/803217980.db2.gz HAPRCCALIPDGAY-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001417962201 1167330174 /nfs/dbraw/zinc/33/01/74/1167330174.db2.gz YVSQXHUAUWJYRU-AWEZNQCLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCC1 ZINC001500094607 1058487301 /nfs/dbraw/zinc/48/73/01/1058487301.db2.gz DAHIFWXVGAWRMP-QGZVFWFLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001501121510 1059303094 /nfs/dbraw/zinc/30/30/94/1059303094.db2.gz HYBKECXBZVTULN-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001501420043 1059502130 /nfs/dbraw/zinc/50/21/30/1059502130.db2.gz ZOMBPHKINJSOAN-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCC1 ZINC001502029374 1059885422 /nfs/dbraw/zinc/88/54/22/1059885422.db2.gz VURBKEVEVCDINT-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502125898 1059967811 /nfs/dbraw/zinc/96/78/11/1059967811.db2.gz MNXXTFDIEKCYOP-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001502778623 1060292396 /nfs/dbraw/zinc/29/23/96/1060292396.db2.gz BTDZMTTZHKQMJK-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+]CC1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001505505932 1060665144 /nfs/dbraw/zinc/66/51/44/1060665144.db2.gz BLVDVAGKUIWVOZ-UHFFFAOYSA-N 2 0 319.493 2.147 20 30 DEEDRP C[NH+]1CCN(c2ccc(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC001474759298 1060934824 /nfs/dbraw/zinc/93/48/24/1060934824.db2.gz HWZHEAYUEIKQFI-QZTJIDSGSA-N 2 0 312.461 2.263 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001479319134 1061390358 /nfs/dbraw/zinc/39/03/58/1061390358.db2.gz FATOKQBALGVSQX-INMHGKMJSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001506176798 1061712962 /nfs/dbraw/zinc/71/29/62/1061712962.db2.gz IDNAVZXYTGPTHQ-ROUUACIJSA-N 2 0 321.509 2.345 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CCC)CC1 ZINC001479834401 1061867711 /nfs/dbraw/zinc/86/77/11/1061867711.db2.gz OXWVWPDCFQPCBP-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001479994411 1062158448 /nfs/dbraw/zinc/15/84/48/1062158448.db2.gz OGBJDWDGGAXOHL-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001480143674 1062384237 /nfs/dbraw/zinc/38/42/37/1062384237.db2.gz IJZTWRONWMDSMF-LUKYLMHMSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001480166748 1062415628 /nfs/dbraw/zinc/41/56/28/1062415628.db2.gz BWQFBQVEEPOMQQ-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001507014922 1062676991 /nfs/dbraw/zinc/67/69/91/1062676991.db2.gz KKLJFBSMIZBGSS-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001508060235 1063525438 /nfs/dbraw/zinc/52/54/38/1063525438.db2.gz ZOZYXSUYAFJVRC-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001493979404 1064058305 /nfs/dbraw/zinc/05/83/05/1064058305.db2.gz YHABJTCSQMMQBJ-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567419231 1064191470 /nfs/dbraw/zinc/19/14/70/1064191470.db2.gz KKOKSWDPAPYZLX-IAGOWNOFSA-N 2 0 309.498 2.347 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001567625332 1064287327 /nfs/dbraw/zinc/28/73/27/1064287327.db2.gz SJTZRPQKHLLXGZ-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)c1ccccc1 ZINC001567660318 1064324047 /nfs/dbraw/zinc/32/40/47/1064324047.db2.gz YDXMLQXWVDOFJH-ROUUACIJSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752387 1064403825 /nfs/dbraw/zinc/40/38/25/1064403825.db2.gz QOKJXBJCJHALFS-FUHWJXTLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494834779 1064497322 /nfs/dbraw/zinc/49/73/22/1064497322.db2.gz RPHPJBQHGJEENS-MRXNPFEDSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568274390 1064746912 /nfs/dbraw/zinc/74/69/12/1064746912.db2.gz UYJUPEMYWOGXHJ-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001568300139 1064764583 /nfs/dbraw/zinc/76/45/83/1064764583.db2.gz KZEOYHWIFCICOO-OAHLLOKOSA-N 2 0 303.450 2.027 20 30 DEEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001495278340 1064803366 /nfs/dbraw/zinc/80/33/66/1064803366.db2.gz HPLDKOWUWMSFFK-VQIMIIECSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001568379728 1064823465 /nfs/dbraw/zinc/82/34/65/1064823465.db2.gz VKCQVXYULXAWOJ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001568431086 1064866822 /nfs/dbraw/zinc/86/68/22/1064866822.db2.gz DTZKZVMPFUAJEZ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001495388554 1064874466 /nfs/dbraw/zinc/87/44/66/1064874466.db2.gz RKVKRWPCETWCEE-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+](C)CCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001568501495 1064916425 /nfs/dbraw/zinc/91/64/25/1064916425.db2.gz OBPDDOKWKAOWJC-KRWDZBQOSA-N 2 0 303.450 2.256 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001495457469 1064918401 /nfs/dbraw/zinc/91/84/01/1064918401.db2.gz GSVUAZXRSYSDPA-HDJSIYSDSA-N 2 0 313.873 2.240 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001568544809 1064955495 /nfs/dbraw/zinc/95/54/95/1064955495.db2.gz IDNYVQLCRGNRFF-QZTJIDSGSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001495554794 1064980966 /nfs/dbraw/zinc/98/09/66/1064980966.db2.gz WIPDBPMCJOTSLS-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568632714 1065009006 /nfs/dbraw/zinc/00/90/06/1065009006.db2.gz PDNAPUKTWPLMII-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001568756704 1065103689 /nfs/dbraw/zinc/10/36/89/1065103689.db2.gz RHQNJNBJYTVXML-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001569466499 1065524315 /nfs/dbraw/zinc/52/43/15/1065524315.db2.gz BIJZKIFWPFXPQZ-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001496576867 1065571599 /nfs/dbraw/zinc/57/15/99/1065571599.db2.gz ZERFGBITNWKWKQ-KRWDZBQOSA-N 2 0 312.417 2.010 20 30 DEEDRP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001569724530 1065691035 /nfs/dbraw/zinc/69/10/35/1065691035.db2.gz YWZIESWGELQEHM-MOPGFXCFSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001569884338 1065791658 /nfs/dbraw/zinc/79/16/58/1065791658.db2.gz QUJRBWOSJSCBDA-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570015942 1065883906 /nfs/dbraw/zinc/88/39/06/1065883906.db2.gz SOQLPZLNANUZMV-HUUCEWRRSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570502883 1066097474 /nfs/dbraw/zinc/09/74/74/1066097474.db2.gz OJIXYYLHQDGLPU-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001498904464 1066949550 /nfs/dbraw/zinc/94/95/50/1066949550.db2.gz UPQBCNDVFLTUIP-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP N#Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC001580062419 1067486101 /nfs/dbraw/zinc/48/61/01/1067486101.db2.gz YLPLEAJMFFODOR-YXJHDRRASA-N 2 0 317.408 2.416 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001483562235 1078599327 /nfs/dbraw/zinc/59/93/27/1078599327.db2.gz BWTUOYDYGYNLAZ-GVDBMIGSSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001483565003 1078600517 /nfs/dbraw/zinc/60/05/17/1078600517.db2.gz ANHKYHFSJJEADQ-ROUUACIJSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001483584162 1078612225 /nfs/dbraw/zinc/61/22/25/1078612225.db2.gz VXSJBZZCJZUILQ-ROUUACIJSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=C)C ZINC001267169502 1078633893 /nfs/dbraw/zinc/63/38/93/1078633893.db2.gz QJNCFBUZIPTGHX-MSOLQXFVSA-N 2 0 317.477 2.021 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267177913 1078641891 /nfs/dbraw/zinc/64/18/91/1078641891.db2.gz ZJMMHOUSGOMGLE-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H](CCN(C)C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001570778965 1068115427 /nfs/dbraw/zinc/11/54/27/1068115427.db2.gz CSXRWJATCFWBAF-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)Cn2ccnc2C)CCCCC1 ZINC001409786166 1078666761 /nfs/dbraw/zinc/66/67/61/1078666761.db2.gz OTCMNXMAQAGXQV-UHFFFAOYSA-N 2 0 324.856 2.353 20 30 DEEDRP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001329229823 1148876462 /nfs/dbraw/zinc/87/64/62/1148876462.db2.gz ASWJYDWYZUOCLX-ABHNRTSZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001571492552 1068348498 /nfs/dbraw/zinc/34/84/98/1068348498.db2.gz FWDYFLCHIGUBGW-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001571508290 1068368285 /nfs/dbraw/zinc/36/82/85/1068368285.db2.gz CVMGKVBUHKDXEO-IXDOHACOSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001571526333 1068396047 /nfs/dbraw/zinc/39/60/47/1068396047.db2.gz FGMQYDVOZJZFDR-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001571558691 1068420290 /nfs/dbraw/zinc/42/02/90/1068420290.db2.gz OYOUMSFWTOFLNK-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001571639279 1068454390 /nfs/dbraw/zinc/45/43/90/1068454390.db2.gz KYBRZOHDSKVURE-IRXDYDNUSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCCCCC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571664532 1068468680 /nfs/dbraw/zinc/46/86/80/1068468680.db2.gz LTHCCMGRGJFJJI-UHFFFAOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001267328519 1078768611 /nfs/dbraw/zinc/76/86/11/1078768611.db2.gz YRXTYJZDHDXYMO-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483698692 1078819161 /nfs/dbraw/zinc/81/91/61/1078819161.db2.gz UNXWIDPFFRXESC-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267459764 1078868380 /nfs/dbraw/zinc/86/83/80/1078868380.db2.gz MPORELOMBTVAGA-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267460461 1078869739 /nfs/dbraw/zinc/86/97/39/1078869739.db2.gz VUMJCVACXNNPBI-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267556869 1078989631 /nfs/dbraw/zinc/98/96/31/1078989631.db2.gz VUBBAADFZWYORQ-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267590020 1079100746 /nfs/dbraw/zinc/10/07/46/1079100746.db2.gz ORVAXOUNLKSIFZ-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483803082 1079130690 /nfs/dbraw/zinc/13/06/90/1079130690.db2.gz ZEWKODPSDBYBHV-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483918420 1079184196 /nfs/dbraw/zinc/18/41/96/1079184196.db2.gz ZGIHJFRDYKHHMX-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001483976665 1079221834 /nfs/dbraw/zinc/22/18/34/1079221834.db2.gz MNMSOYBKJDJWMX-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001484125629 1079314664 /nfs/dbraw/zinc/31/46/64/1079314664.db2.gz PBTXJTQAUNAXQP-LJQANCHMSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001558769247 1075105036 /nfs/dbraw/zinc/10/50/36/1075105036.db2.gz RYLZMJATGSAPIU-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001565835647 1075193504 /nfs/dbraw/zinc/19/35/04/1075193504.db2.gz QSIXKMRENLCGDB-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001565921133 1075205707 /nfs/dbraw/zinc/20/57/07/1075205707.db2.gz AFPDRHKCHVEIBR-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001565921132 1075206053 /nfs/dbraw/zinc/20/60/53/1075206053.db2.gz AFPDRHKCHVEIBR-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001566020301 1075217083 /nfs/dbraw/zinc/21/70/83/1075217083.db2.gz HCBYKLSIPAHAOF-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001566123877 1075232903 /nfs/dbraw/zinc/23/29/03/1075232903.db2.gz ZFKPADKDGKFIKM-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001566590231 1075290936 /nfs/dbraw/zinc/29/09/36/1075290936.db2.gz LHNWGZWWTQZUQJ-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001566623005 1075298859 /nfs/dbraw/zinc/29/88/59/1075298859.db2.gz FMQLYIZYLOEFHK-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001566854938 1075363225 /nfs/dbraw/zinc/36/32/25/1075363225.db2.gz UAQPLBMYEGXMAR-YVSFHVDLSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567192102 1075458193 /nfs/dbraw/zinc/45/81/93/1075458193.db2.gz TXPPHPIWUFUIFH-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567193144 1075459996 /nfs/dbraw/zinc/45/99/96/1075459996.db2.gz OBEDLPXQCVVQSI-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001267729809 1079421464 /nfs/dbraw/zinc/42/14/64/1079421464.db2.gz GVHBFVQVZZJTIP-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001267758989 1079460973 /nfs/dbraw/zinc/46/09/73/1079460973.db2.gz UXJNDFAQKJKYQC-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001267764745 1079468770 /nfs/dbraw/zinc/46/87/70/1079468770.db2.gz YMDKGQXAZNYKSH-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484343165 1079552562 /nfs/dbraw/zinc/55/25/62/1079552562.db2.gz NAPPFRFIUWOFQP-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CCC)CCCC[C@@H]1C ZINC001267873799 1079560537 /nfs/dbraw/zinc/56/05/37/1079560537.db2.gz LTOHRASKNJOXHX-WMZOPIPTSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267898948 1079585444 /nfs/dbraw/zinc/58/54/44/1079585444.db2.gz YEQQXQXYCFXUAF-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H](C)C1 ZINC001671250911 1079639497 /nfs/dbraw/zinc/63/94/97/1079639497.db2.gz GBLHJKAUGKTUPQ-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001484616364 1079688284 /nfs/dbraw/zinc/68/82/84/1079688284.db2.gz NOQZTPQTXVGUTO-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001484618275 1079689173 /nfs/dbraw/zinc/68/91/73/1079689173.db2.gz NBJPYYYIEDBDFT-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001481340385 1079734690 /nfs/dbraw/zinc/73/46/90/1079734690.db2.gz QLVYUSWLUJPIDJ-NVXWUHKLSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001484728668 1079752383 /nfs/dbraw/zinc/75/23/83/1079752383.db2.gz SZPIZFGEVLPPGU-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819686 1079813386 /nfs/dbraw/zinc/81/33/86/1079813386.db2.gz TXCQNRZIZSJFLL-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001485029139 1079923103 /nfs/dbraw/zinc/92/31/03/1079923103.db2.gz IIQQCKSBBKIVNP-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001268045087 1079930228 /nfs/dbraw/zinc/93/02/28/1079930228.db2.gz QCTLAJMOAKBNPU-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001485067178 1079944887 /nfs/dbraw/zinc/94/48/87/1079944887.db2.gz IZMWMCCRRNOFST-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001656108942 1080044658 /nfs/dbraw/zinc/04/46/58/1080044658.db2.gz AOHYDLMOVLUHMI-DLBZAZTESA-N 2 0 309.498 2.441 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCCC)CC1 ZINC001485230201 1080077686 /nfs/dbraw/zinc/07/76/86/1080077686.db2.gz QWROFEXKTJNBFX-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001485230263 1080077852 /nfs/dbraw/zinc/07/78/52/1080077852.db2.gz RPLBJUCQQZGKHU-GJZGRUSLSA-N 2 0 303.450 2.421 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC001485311823 1080131918 /nfs/dbraw/zinc/13/19/18/1080131918.db2.gz BUQKQEAESPHIRC-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001657079477 1080153993 /nfs/dbraw/zinc/15/39/93/1080153993.db2.gz FWVRUSUGNJNYSL-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001268173976 1080164070 /nfs/dbraw/zinc/16/40/70/1080164070.db2.gz GOOVSDKAPGCNCF-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+](C)CCC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001268200785 1080187301 /nfs/dbraw/zinc/18/73/01/1080187301.db2.gz AMCJLACPCNQORI-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485570365 1080303420 /nfs/dbraw/zinc/30/34/20/1080303420.db2.gz BUMXYWRYAVDVAU-GJZGRUSLSA-N 2 0 313.461 2.069 20 30 DEEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268366613 1080377893 /nfs/dbraw/zinc/37/78/93/1080377893.db2.gz NZMTXSHTICKTPA-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481734104 1080405745 /nfs/dbraw/zinc/40/57/45/1080405745.db2.gz DDUFXEWVJSZKGY-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001660859373 1080409450 /nfs/dbraw/zinc/40/94/50/1080409450.db2.gz LQPLYFORLVNOFM-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753352 1080441079 /nfs/dbraw/zinc/44/10/79/1080441079.db2.gz SVYNURZWHOJDEC-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539144 1080464877 /nfs/dbraw/zinc/46/48/77/1080464877.db2.gz ZJIIKLWMTNWINW-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCNC(=O)[C@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272717502 1080496796 /nfs/dbraw/zinc/49/67/96/1080496796.db2.gz VJRPTKCATLAASD-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001661752629 1080518478 /nfs/dbraw/zinc/51/84/78/1080518478.db2.gz NGNGBNKZVUHVLN-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001481910688 1080598744 /nfs/dbraw/zinc/59/87/44/1080598744.db2.gz WHCCIMISIAQUSP-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001482027923 1080703279 /nfs/dbraw/zinc/70/32/79/1080703279.db2.gz UMKVLBKCKGKKNN-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)C[N@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001663399704 1080741942 /nfs/dbraw/zinc/74/19/42/1080741942.db2.gz FAVYQDMEAFNRMF-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001664578543 1080928033 /nfs/dbraw/zinc/92/80/33/1080928033.db2.gz PATAJWHIEWGWFN-KRWDZBQOSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001664667900 1080939675 /nfs/dbraw/zinc/93/96/75/1080939675.db2.gz SBTBZHOSRICQKT-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001664739650 1080952158 /nfs/dbraw/zinc/95/21/58/1080952158.db2.gz CBKINIWEDLQZJE-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001664755815 1080955771 /nfs/dbraw/zinc/95/57/71/1080955771.db2.gz YTNRNLWHXRIHII-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001664806674 1080963431 /nfs/dbraw/zinc/96/34/31/1080963431.db2.gz IZNAQOWFWNMIAY-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001269075207 1081106992 /nfs/dbraw/zinc/10/69/92/1081106992.db2.gz JOGMALUVUHZMHT-AWEZNQCLSA-N 2 0 307.463 2.094 20 30 DEEDRP C=CC[NH2+]C[C@@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001666026356 1081112492 /nfs/dbraw/zinc/11/24/92/1081112492.db2.gz MJZWURDUYFILAV-LJQANCHMSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001666135646 1081127270 /nfs/dbraw/zinc/12/72/70/1081127270.db2.gz YGUKLBFFCHKDDO-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001667262430 1081231645 /nfs/dbraw/zinc/23/16/45/1081231645.db2.gz KNEWBLZWRPMARP-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001269622344 1081311924 /nfs/dbraw/zinc/31/19/24/1081311924.db2.gz GWNOLHXLBFVVSQ-LJQANCHMSA-N 2 0 324.428 2.154 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269643925 1081319504 /nfs/dbraw/zinc/31/95/04/1081319504.db2.gz AEQTYZPZCSFZME-QAPCUYQASA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001668321107 1081341237 /nfs/dbraw/zinc/34/12/37/1081341237.db2.gz WRQUUJMURYLQHE-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001269839370 1081378805 /nfs/dbraw/zinc/37/88/05/1081378805.db2.gz PAYADHKJNUAHTI-JYJNAYRXSA-N 2 0 307.482 2.214 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001270018263 1081428550 /nfs/dbraw/zinc/42/85/50/1081428550.db2.gz USPKHNDKNWJUQX-BRWVUGGUSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001270050919 1081438538 /nfs/dbraw/zinc/43/85/38/1081438538.db2.gz RKBRWAUDYLLUGE-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001669208786 1081438967 /nfs/dbraw/zinc/43/89/67/1081438967.db2.gz VXCIHAGDATVQKW-XVWMLYKFSA-N 2 0 313.873 2.121 20 30 DEEDRP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001672944060 1081725275 /nfs/dbraw/zinc/72/52/75/1081725275.db2.gz VZMZOJSSZZGDHN-YJBOKZPZSA-N 2 0 315.461 2.317 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001270854291 1081745011 /nfs/dbraw/zinc/74/50/11/1081745011.db2.gz QRSDZSJUNVINBY-IBGZPJMESA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001673651719 1081789115 /nfs/dbraw/zinc/78/91/15/1081789115.db2.gz ZMDHRDCRIVXGNR-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001270880214 1081791234 /nfs/dbraw/zinc/79/12/34/1081791234.db2.gz WBHURYCKMWLWKW-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001280356300 1081877599 /nfs/dbraw/zinc/87/75/99/1081877599.db2.gz CDCYFPIETONWPN-YJBOKZPZSA-N 2 0 315.461 2.481 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482451250 1081889012 /nfs/dbraw/zinc/88/90/12/1081889012.db2.gz STHCWQJUKIXZIB-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001482453643 1081898193 /nfs/dbraw/zinc/89/81/93/1081898193.db2.gz CDAJTCIQMHFLAL-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001482469961 1081943860 /nfs/dbraw/zinc/94/38/60/1081943860.db2.gz FRYYZCVMTIMLNB-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266363158 1082000431 /nfs/dbraw/zinc/00/04/31/1082000431.db2.gz FMUQNFRVXZCLQS-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001280391662 1082020391 /nfs/dbraw/zinc/02/03/91/1082020391.db2.gz ACLSUGBBXDEMDZ-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001266469722 1082056959 /nfs/dbraw/zinc/05/69/59/1082056959.db2.gz QXGNSIOWLVDGHO-INIZCTEOSA-N 2 0 318.465 2.363 20 30 DEEDRP CC[C@H](CC#N)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397489910 1082076421 /nfs/dbraw/zinc/07/64/21/1082076421.db2.gz HKWXSUYNDRKGGG-QGZVFWFLSA-N 2 0 301.434 2.295 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001271673538 1082105197 /nfs/dbraw/zinc/10/51/97/1082105197.db2.gz IPZYBVAJMWBLFH-CVEARBPZSA-N 2 0 309.498 2.225 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001271673539 1082105369 /nfs/dbraw/zinc/10/53/69/1082105369.db2.gz IPZYBVAJMWBLFH-HOTGVXAUSA-N 2 0 309.498 2.225 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001271737271 1082139421 /nfs/dbraw/zinc/13/94/21/1082139421.db2.gz ZMSWPWQUYRNEBO-VBUUOAMHSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266819985 1082368999 /nfs/dbraw/zinc/36/89/99/1082368999.db2.gz HEKUSQZBGNAJDT-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001670842413 1082410342 /nfs/dbraw/zinc/41/03/42/1082410342.db2.gz DJCRYGCEKFWRPW-INIZCTEOSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266874437 1082422314 /nfs/dbraw/zinc/42/23/14/1082422314.db2.gz LOJDLTPWEYACGN-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482864264 1082535103 /nfs/dbraw/zinc/53/51/03/1082535103.db2.gz HZAJIOZKYULMAC-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495575 1083434654 /nfs/dbraw/zinc/43/46/54/1083434654.db2.gz RJCZYTZVRXHKJK-VQIMIIECSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522721 1083451251 /nfs/dbraw/zinc/45/12/51/1083451251.db2.gz PVMOVCYNFAAVKB-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276633784 1083525424 /nfs/dbraw/zinc/52/54/24/1083525424.db2.gz OOATVFZOIFKOMY-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001491059861 1084036873 /nfs/dbraw/zinc/03/68/73/1084036873.db2.gz CAOLPDPNJYHQKS-QXSJWSMHSA-N 2 0 304.438 2.426 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277779912 1084145069 /nfs/dbraw/zinc/14/50/69/1084145069.db2.gz WCJQMALIVJAKAR-SJLPKXTDSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001272888245 1084427739 /nfs/dbraw/zinc/42/77/39/1084427739.db2.gz SPGFDONLGAXCKI-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C12CCC2 ZINC001078657396 1084784807 /nfs/dbraw/zinc/78/48/07/1084784807.db2.gz WEFOSIYOVORZPW-HZPDHXFCSA-N 2 0 317.477 2.065 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001078757172 1084850591 /nfs/dbraw/zinc/85/05/91/1084850591.db2.gz QBSCGVGBSSHQCY-IAGOWNOFSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001486208434 1085111897 /nfs/dbraw/zinc/11/18/97/1085111897.db2.gz UYTDTVYQOFBTNH-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001486370081 1085241144 /nfs/dbraw/zinc/24/11/44/1085241144.db2.gz PWBUDZCECNHDPH-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001486423327 1085296111 /nfs/dbraw/zinc/29/61/11/1085296111.db2.gz FZGHLQQHAOZRDS-IRXDYDNUSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000964644292 1085334629 /nfs/dbraw/zinc/33/46/29/1085334629.db2.gz NIMICFJZRYBLBG-KZIPQDEESA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000965933264 1085701051 /nfs/dbraw/zinc/70/10/51/1085701051.db2.gz WFPYFGFOXOCYFA-YCTIJVIUSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC1CC[NH+](C)CC1 ZINC001273039768 1086065034 /nfs/dbraw/zinc/06/50/34/1086065034.db2.gz UZNPPUKQVJQHDC-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CN1CC[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101045 1086176103 /nfs/dbraw/zinc/17/61/03/1086176103.db2.gz MFQYMYXWDLGDPG-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357659 1086424004 /nfs/dbraw/zinc/42/40/04/1086424004.db2.gz KQTMVGUQGVLEQN-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357656 1086424177 /nfs/dbraw/zinc/42/41/77/1086424177.db2.gz KQTMVGUQGVLEQN-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957633748 1088480497 /nfs/dbraw/zinc/48/04/97/1088480497.db2.gz MXSVYVUTIPESFU-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080989575 1089281862 /nfs/dbraw/zinc/28/18/62/1089281862.db2.gz NZVKQKPKTGDODA-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001082698728 1090053936 /nfs/dbraw/zinc/05/39/36/1090053936.db2.gz YBRMCZDITHXANW-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010113 1090620730 /nfs/dbraw/zinc/62/07/30/1090620730.db2.gz MVMZKBJKXPWJQG-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001273426638 1091348562 /nfs/dbraw/zinc/34/85/62/1091348562.db2.gz CKDAAJSPQLYKOA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276043183 1091476376 /nfs/dbraw/zinc/47/63/76/1091476376.db2.gz WYXKUDYUVAKLJP-KDURUIRLSA-N 2 0 323.525 2.460 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001274965545 1091490767 /nfs/dbraw/zinc/49/07/67/1091490767.db2.gz NDZVNGMKGSPQGD-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP N#Cc1cncc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001275028206 1091516938 /nfs/dbraw/zinc/51/69/38/1091516938.db2.gz YFXDZMDMXHVKRB-UHFFFAOYSA-N 2 0 321.428 2.379 20 30 DEEDRP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cc[nH]c2)CC3)cc1C#N ZINC001276101956 1091552193 /nfs/dbraw/zinc/55/21/93/1091552193.db2.gz RZLCJAJXUWQEKN-UHFFFAOYSA-N 2 0 323.444 2.323 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001275185238 1091604472 /nfs/dbraw/zinc/60/44/72/1091604472.db2.gz WKGANIQRUGFMJA-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001275290559 1091653858 /nfs/dbraw/zinc/65/38/58/1091653858.db2.gz QYLGJDLWSQMXJC-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001490331882 1093318686 /nfs/dbraw/zinc/31/86/86/1093318686.db2.gz YQSORVJPDXFQSE-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001490362270 1093355818 /nfs/dbraw/zinc/35/58/18/1093355818.db2.gz SYYWRRKVCJEGPP-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691727596 1138215163 /nfs/dbraw/zinc/21/51/63/1138215163.db2.gz LIBFINLBWVBYBQ-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC(Oc2ccccc2C#N)C1 ZINC001237179865 1138517215 /nfs/dbraw/zinc/51/72/15/1138517215.db2.gz LYUUHELZJBYQDC-IUODEOHRSA-N 2 0 321.371 2.112 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001278071435 1138547437 /nfs/dbraw/zinc/54/74/37/1138547437.db2.gz KJXPQTMERDUGPE-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001491674361 1140277795 /nfs/dbraw/zinc/27/77/95/1140277795.db2.gz LEDKRXSIELYUNJ-AWEZNQCLSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001491674363 1140278004 /nfs/dbraw/zinc/27/80/04/1140278004.db2.gz LEDKRXSIELYUNJ-CQSZACIVSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001491761761 1140300393 /nfs/dbraw/zinc/30/03/93/1140300393.db2.gz PXAKDPRCDCPESO-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318851596 1140437095 /nfs/dbraw/zinc/43/70/95/1140437095.db2.gz TXMZJOHSUVBJTC-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+]CCC1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001318930816 1140469501 /nfs/dbraw/zinc/46/95/01/1140469501.db2.gz IANXIRKFSGXZBF-UHFFFAOYSA-N 2 0 324.856 2.162 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+][C@@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001246003010 1140845017 /nfs/dbraw/zinc/84/50/17/1140845017.db2.gz WPHMZYIYDMKTQW-MAUKXSAKSA-N 2 0 322.424 2.020 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])NC2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246302601 1140882870 /nfs/dbraw/zinc/88/28/70/1140882870.db2.gz BEVYROUDZSGNEQ-UHFFFAOYSA-N 2 0 315.417 2.101 20 30 DEEDRP CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3CC[NH2+]CC3)cc(C#N)c21 ZINC001246328055 1140884325 /nfs/dbraw/zinc/88/43/25/1140884325.db2.gz QEYNBWYOUNHUBC-ZDUSSCGKSA-N 2 0 324.428 2.446 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860226 1141894486 /nfs/dbraw/zinc/89/44/86/1141894486.db2.gz OXZSUNOXGCDLGR-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C[C@@](C)(O)C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001252552530 1142760728 /nfs/dbraw/zinc/76/07/28/1142760728.db2.gz XKFFASVYKZBENP-GOSISDBHSA-N 2 0 315.461 2.307 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001278673804 1142774597 /nfs/dbraw/zinc/77/45/97/1142774597.db2.gz VWIUQVXCRNOPFH-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001278911503 1143830058 /nfs/dbraw/zinc/83/00/58/1143830058.db2.gz BDFNUDQDWBXITC-QGZVFWFLSA-N 2 0 307.482 2.053 20 30 DEEDRP N#Cc1ccc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)s1 ZINC001256685815 1143862407 /nfs/dbraw/zinc/86/24/07/1143862407.db2.gz HPEMRESXIPIOPZ-UHFFFAOYSA-N 2 0 305.447 2.353 20 30 DEEDRP N#Cc1cc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)cs1 ZINC001256687046 1143862562 /nfs/dbraw/zinc/86/25/62/1143862562.db2.gz KXOMNXMKSPWDSL-UHFFFAOYSA-N 2 0 305.447 2.353 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001279026732 1143936665 /nfs/dbraw/zinc/93/66/65/1143936665.db2.gz XYINZWOGGSTOOH-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001264435369 1144539276 /nfs/dbraw/zinc/53/92/76/1144539276.db2.gz HICNWHNEFKCCTM-LUKYLMHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001265336424 1144695438 /nfs/dbraw/zinc/69/54/38/1144695438.db2.gz ZMUBZSADTLJTCX-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265399172 1144702338 /nfs/dbraw/zinc/70/23/38/1144702338.db2.gz QHVBBTXABODRMQ-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266067095 1144802194 /nfs/dbraw/zinc/80/21/94/1144802194.db2.gz IOZFQCLNDIAIJO-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001279564742 1144824736 /nfs/dbraw/zinc/82/47/36/1144824736.db2.gz IHMXTDYGGUMIIS-SFHVURJKSA-N 2 0 317.477 2.043 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001280865456 1144860300 /nfs/dbraw/zinc/86/03/00/1144860300.db2.gz JYMZZEFQGDEIGR-KRWDZBQOSA-N 2 0 307.482 2.053 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001281683055 1144907826 /nfs/dbraw/zinc/90/78/26/1144907826.db2.gz MIWPDTXBEBANDB-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001283340227 1145369162 /nfs/dbraw/zinc/36/91/62/1145369162.db2.gz FFGLGJQICMSLST-JKSUJKDBSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491878088 1146946593 /nfs/dbraw/zinc/94/65/93/1146946593.db2.gz RHOYLPROIPQFTH-JKSUJKDBSA-N 2 0 319.493 2.290 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491933454 1147005510 /nfs/dbraw/zinc/00/55/10/1147005510.db2.gz AUFNPOZKPZRXAE-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001491934473 1147006693 /nfs/dbraw/zinc/00/66/93/1147006693.db2.gz KMDBYGZAHFMQMD-QGZVFWFLSA-N 2 0 324.428 2.202 20 30 DEEDRP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491947872 1147013880 /nfs/dbraw/zinc/01/38/80/1147013880.db2.gz YMFLMAQZWPKEAC-IRXDYDNUSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCOc1cccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC001308300336 1147463622 /nfs/dbraw/zinc/46/36/22/1147463622.db2.gz LCUZQKZMUQIUQS-UHFFFAOYSA-N 2 0 317.477 2.367 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317037067 1147651355 /nfs/dbraw/zinc/65/13/55/1147651355.db2.gz LOZYVSMSBKLKDU-FGTMMUONSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317037296 1147651597 /nfs/dbraw/zinc/65/15/97/1147651597.db2.gz PTDREBMXYZXXIX-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317044341 1147652420 /nfs/dbraw/zinc/65/24/20/1147652420.db2.gz QOUGQWRATMOALI-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317379100 1147699722 /nfs/dbraw/zinc/69/97/22/1147699722.db2.gz KVBYQWIFVNYGKZ-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001317398967 1147701833 /nfs/dbraw/zinc/70/18/33/1147701833.db2.gz SPVXGEFATYTTGJ-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001317398963 1147701912 /nfs/dbraw/zinc/70/19/12/1147701912.db2.gz SPVXGEFATYTTGJ-CVEARBPZSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]2C1 ZINC001325766414 1147996931 /nfs/dbraw/zinc/99/69/31/1147996931.db2.gz MSHINYHOGSWBQM-CALCHBBNSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001326602183 1148157717 /nfs/dbraw/zinc/15/77/17/1148157717.db2.gz ACLSUGBBXDEMDZ-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(C#N)c1 ZINC000181697347 199339974 /nfs/dbraw/zinc/33/99/74/199339974.db2.gz UWMHJVFYPGRRCI-MRXNPFEDSA-N 2 0 314.477 2.482 20 30 DEEDRP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000083032485 355462378 /nfs/dbraw/zinc/46/23/78/355462378.db2.gz CDZFSVOUVJYTJQ-ZBFHGGJFSA-N 2 0 316.449 2.146 20 30 DEEDRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000314323763 356417137 /nfs/dbraw/zinc/41/71/37/356417137.db2.gz HZZHEHVJMMLPSP-OAHLLOKOSA-N 2 0 300.450 2.235 20 30 DEEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCC(C)(C#N)CC3)C2)CC1 ZINC000590645235 357572706 /nfs/dbraw/zinc/57/27/06/357572706.db2.gz DVFVSSNYKUWCDI-PQUAAJSLSA-N 2 0 304.482 2.217 20 30 DEEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392913 361589362 /nfs/dbraw/zinc/58/93/62/361589362.db2.gz VJSGAUDCPWAMPX-BEFAXECRSA-N 2 0 312.461 2.161 20 30 DEEDRP CC[NH+](CC)CCOc1ccc(CNC(NC2CC2)=[NH+]C)cc1 ZINC000103337924 402185382 /nfs/dbraw/zinc/18/53/82/402185382.db2.gz WVCYMYUAJHCFKK-UHFFFAOYSA-N 2 0 318.465 2.235 20 30 DEEDRP Cn1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1C#N ZINC000190785681 402622546 /nfs/dbraw/zinc/62/25/46/402622546.db2.gz RAVBOGNZMFEEPW-UHFFFAOYSA-N 2 0 312.417 2.127 20 30 DEEDRP C=C(C)C[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000175981710 402845979 /nfs/dbraw/zinc/84/59/79/402845979.db2.gz HAWPONVOWQHDEE-QGZVFWFLSA-N 2 0 303.450 2.304 20 30 DEEDRP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CN1CC[NH+](C)CC1 ZINC000271951121 402887284 /nfs/dbraw/zinc/88/72/84/402887284.db2.gz OVXNMWLVNWXACM-CABCVRRESA-N 2 0 318.440 2.231 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000270360946 403183707 /nfs/dbraw/zinc/18/37/07/403183707.db2.gz XOJUVQXANMMIJD-SJORKVTESA-N 2 0 307.482 2.191 20 30 DEEDRP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000343282781 403524707 /nfs/dbraw/zinc/52/47/07/403524707.db2.gz KAUSSQCTFHJAMZ-UHFFFAOYSA-N 2 0 306.479 2.127 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000295115389 403764018 /nfs/dbraw/zinc/76/40/18/403764018.db2.gz XVRJSFYLCXJWFC-HNNXBMFYSA-N 2 0 315.417 2.249 20 30 DEEDRP C=CCOCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000348047936 404022718 /nfs/dbraw/zinc/02/27/18/404022718.db2.gz LWQGGYRAOGDSSJ-IAGOWNOFSA-N 2 0 310.482 2.400 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)C(C)C ZINC000291990227 404616070 /nfs/dbraw/zinc/61/60/70/404616070.db2.gz BBONVRPXOUZUNJ-SJORKVTESA-N 2 0 307.482 2.333 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358794905 404775727 /nfs/dbraw/zinc/77/57/27/404775727.db2.gz IZTYEHGQGOBCMA-HZPDHXFCSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)C(C)C ZINC000417064460 405024663 /nfs/dbraw/zinc/02/46/63/405024663.db2.gz OQKYXVSSNJTZSA-YESZJQIVSA-N 2 0 322.497 2.077 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000423206020 405723660 /nfs/dbraw/zinc/72/36/60/405723660.db2.gz FOXNTEXQYYZCHK-GOSISDBHSA-N 2 0 312.461 2.112 20 30 DEEDRP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367101 405777762 /nfs/dbraw/zinc/77/77/62/405777762.db2.gz CXQWLDDJYHVGPU-BEFAXECRSA-N 2 0 312.461 2.253 20 30 DEEDRP CC#CC[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000641769183 406888595 /nfs/dbraw/zinc/88/85/95/406888595.db2.gz PFZDIRSOFJVNFZ-SFHVURJKSA-N 2 0 316.445 2.025 20 30 DEEDRP C=CC[C@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662674037 425708802 /nfs/dbraw/zinc/70/88/02/425708802.db2.gz XDXRUUJYDDECSZ-GOSISDBHSA-N 2 0 317.433 2.264 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662693350 425714867 /nfs/dbraw/zinc/71/48/67/425714867.db2.gz UGYHAFVGTAFXPH-BPQIPLTHSA-N 2 0 307.482 2.311 20 30 DEEDRP C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)CN1CC[NH+](C)CC1 ZINC000353430374 278285698 /nfs/dbraw/zinc/28/56/98/278285698.db2.gz WTGFOLATARNCBD-HNAYVOBHSA-N 2 0 312.461 2.019 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001329759430 1148988971 /nfs/dbraw/zinc/98/89/71/1148988971.db2.gz CAVGQOIEUSWDNC-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000561482076 332455107 /nfs/dbraw/zinc/45/51/07/332455107.db2.gz PDKKVYUEVROYCC-UHOSZYNNSA-N 2 0 312.461 2.257 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000176500830 340427844 /nfs/dbraw/zinc/42/78/44/340427844.db2.gz NCRHRWDKWCJOSM-QGZVFWFLSA-N 2 0 322.497 2.153 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329938234 1149019599 /nfs/dbraw/zinc/01/95/99/1149019599.db2.gz PNIYMEDBRZPDHD-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)C(C)C ZINC000417064458 500577473 /nfs/dbraw/zinc/57/74/73/500577473.db2.gz OQKYXVSSNJTZSA-IXDOHACOSA-N 2 0 322.497 2.077 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCC(C)CC2)N1 ZINC000262669701 533990785 /nfs/dbraw/zinc/99/07/85/533990785.db2.gz QKRKQXROUGMUOC-HNNXBMFYSA-N 2 0 300.450 2.356 20 30 DEEDRP CN/C(=[NH+]/C)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262011416 526344088 /nfs/dbraw/zinc/34/40/88/526344088.db2.gz WQSOWQUWOJFRSV-IAGOWNOFSA-N 2 0 300.450 2.178 20 30 DEEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N(C)Cc1ccon1 ZINC000261741811 526378599 /nfs/dbraw/zinc/37/85/99/526378599.db2.gz KSTOYYUDGNMFPO-YOEHRIQHSA-N 2 0 321.469 2.192 20 30 DEEDRP CC[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)NC(C)C ZINC000262607010 528804269 /nfs/dbraw/zinc/80/42/69/528804269.db2.gz ZZQVKZPZTIPLBR-UHFFFAOYSA-N 2 0 312.527 2.312 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261899603 529100424 /nfs/dbraw/zinc/10/04/24/529100424.db2.gz WJQPGYYNJKUZII-STQMWFEESA-N 2 0 302.413 2.201 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001327879233 1148666522 /nfs/dbraw/zinc/66/65/22/1148666522.db2.gz FCLQTNPNWJKMTF-SUMWQHHRSA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001379522021 1152636301 /nfs/dbraw/zinc/63/63/01/1152636301.db2.gz VHJBXKDKFVDAIB-NSHDSACASA-N 2 0 306.797 2.103 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023464099 625282493 /nfs/dbraw/zinc/28/24/93/625282493.db2.gz CGDHUJZEFVJNDP-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023468033 625283619 /nfs/dbraw/zinc/28/36/19/625283619.db2.gz HTAWNARXUFITQU-OAHLLOKOSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023650965 625373271 /nfs/dbraw/zinc/37/32/71/625373271.db2.gz HHLYYHRQXWNDBE-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468316 625462284 /nfs/dbraw/zinc/46/22/84/625462284.db2.gz INZYKDSQECHNBM-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000972701066 625469264 /nfs/dbraw/zinc/46/92/64/625469264.db2.gz SHKLFFROWAXICQ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484803 625476608 /nfs/dbraw/zinc/47/66/08/625476608.db2.gz JNYUMRDGSFHKLW-LSDHHAIUSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529121 623522610 /nfs/dbraw/zinc/52/26/10/623522610.db2.gz MIEPRTGFOSPDHJ-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021670226 623929448 /nfs/dbraw/zinc/92/94/48/623929448.db2.gz JMVLBASDNAWVAZ-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436719 624038052 /nfs/dbraw/zinc/03/80/52/624038052.db2.gz MBRFCZJAIXZVLD-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001022156124 624487176 /nfs/dbraw/zinc/48/71/76/624487176.db2.gz PBXJLLWKXPWHSW-OKILXGFUSA-N 2 0 307.463 2.236 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023411012 625257746 /nfs/dbraw/zinc/25/77/46/625257746.db2.gz YUUUYGWVYVLPAF-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448138 625772049 /nfs/dbraw/zinc/77/20/49/625772049.db2.gz DKPGWVUAZFCCCK-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468093 625795318 /nfs/dbraw/zinc/79/53/18/625795318.db2.gz IFPGOLUJEMSDPP-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024524253 625838089 /nfs/dbraw/zinc/83/80/89/625838089.db2.gz UNLKRZBCRDQYQL-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000999350879 634569796 /nfs/dbraw/zinc/56/97/96/634569796.db2.gz BYCJKUSOHZAPJS-WBVHZDCISA-N 2 0 305.466 2.160 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000921690730 634757474 /nfs/dbraw/zinc/75/74/74/634757474.db2.gz QFPOJXMCNSDTMJ-UHFFFAOYSA-N 2 0 314.477 2.292 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001000246491 634822932 /nfs/dbraw/zinc/82/29/32/634822932.db2.gz BNZKLZBXRWEHJB-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995906623 633134266 /nfs/dbraw/zinc/13/42/66/633134266.db2.gz SAKQGFXCEURTIX-HZPDHXFCSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)cnc3c2)C(C)(C)C1 ZINC000974581114 633162981 /nfs/dbraw/zinc/16/29/81/633162981.db2.gz FEFKAMLHUSUGPQ-INIZCTEOSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586846 633166013 /nfs/dbraw/zinc/16/60/13/633166013.db2.gz KQXWDVUGXIUEMJ-DLBZAZTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465164 633262260 /nfs/dbraw/zinc/26/22/60/633262260.db2.gz RSXWSEMYYVBJJD-OAHLLOKOSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996855097 633465040 /nfs/dbraw/zinc/46/50/40/633465040.db2.gz FJIVPJLURGUPSZ-QGZVFWFLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000997299146 633700358 /nfs/dbraw/zinc/70/03/58/633700358.db2.gz XMBTYKQSJSHWKT-HIFRSBDPSA-N 2 0 316.449 2.232 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027418228 633758369 /nfs/dbraw/zinc/75/83/69/633758369.db2.gz UVSNHZSBCSEQIT-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027448376 633800745 /nfs/dbraw/zinc/80/07/45/633800745.db2.gz IDPSMKFMTDLAPA-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027452511 633810373 /nfs/dbraw/zinc/81/03/73/633810373.db2.gz PUMOYAAYIHEHPY-GJZGRUSLSA-N 2 0 315.889 2.248 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977656482 634083902 /nfs/dbraw/zinc/08/39/02/634083902.db2.gz QLJXCGJMBMHYDD-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001000321370 635139791 /nfs/dbraw/zinc/13/97/91/635139791.db2.gz ZPEHIXUGHLNNKJ-UHFFFAOYSA-N 2 0 317.477 2.019 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001000467571 635195527 /nfs/dbraw/zinc/19/55/27/635195527.db2.gz RILXYVCWENIMCK-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000677139 635273449 /nfs/dbraw/zinc/27/34/49/635273449.db2.gz FIJFTPGJPYQCNU-KRWDZBQOSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000681977 635275676 /nfs/dbraw/zinc/27/56/76/635275676.db2.gz GJEYNIODTFUSEZ-QZTJIDSGSA-N 2 0 317.477 2.185 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000707577 635282568 /nfs/dbraw/zinc/28/25/68/635282568.db2.gz HKYPFKGYAJXSJF-GOSISDBHSA-N 2 0 317.477 2.043 20 30 DEEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981324655 635439511 /nfs/dbraw/zinc/43/95/11/635439511.db2.gz RFVVQZKGOYUONH-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981524794 635515086 /nfs/dbraw/zinc/51/50/86/635515086.db2.gz IECBXMDLLFPIOI-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(C)C)C2)CC1 ZINC000981540556 635522558 /nfs/dbraw/zinc/52/25/58/635522558.db2.gz DTZCLGUSKUAGKD-QZTJIDSGSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001922753 635577783 /nfs/dbraw/zinc/57/77/83/635577783.db2.gz AJQXGBVNHFKGKF-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943197 635580835 /nfs/dbraw/zinc/58/08/35/635580835.db2.gz PEJZIYKLKIPIKR-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000981961802 635772030 /nfs/dbraw/zinc/77/20/30/635772030.db2.gz AFOZSJVBUZRZKJ-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181645 635783080 /nfs/dbraw/zinc/78/30/80/635783080.db2.gz XGEXCWUPSQUHCQ-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC000982042283 635841200 /nfs/dbraw/zinc/84/12/00/635841200.db2.gz KRDGTCGAQODKBW-INIZCTEOSA-N 2 0 316.449 2.335 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001003223475 635925022 /nfs/dbraw/zinc/92/50/22/635925022.db2.gz XEBRIVWYSSTFQD-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375689 635945496 /nfs/dbraw/zinc/94/54/96/635945496.db2.gz UYWIMQJWNMLHLA-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003966345 636101185 /nfs/dbraw/zinc/10/11/85/636101185.db2.gz AKJCXEQUXULBIH-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP 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 636111741 /nfs/dbraw/zinc/11/17/41/636111741.db2.gz KARNRERFKPPBBN-PBWTXFEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028335095 636136115 /nfs/dbraw/zinc/13/61/15/636136115.db2.gz NQNLGRXBTGEGHL-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592248 636433366 /nfs/dbraw/zinc/43/33/66/636433366.db2.gz IYAFFUUQXYZEGX-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592245 636433408 /nfs/dbraw/zinc/43/34/08/636433408.db2.gz IYAFFUUQXYZEGX-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028755818 636703249 /nfs/dbraw/zinc/70/32/49/636703249.db2.gz VMSOTOFRLVUUDG-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845380 636784597 /nfs/dbraw/zinc/78/45/97/636784597.db2.gz JWGQBSLRBMGLID-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919361 636853533 /nfs/dbraw/zinc/85/35/33/636853533.db2.gz UOOHWMZEERBNAF-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C[C@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000895297486 637902280 /nfs/dbraw/zinc/90/22/80/637902280.db2.gz WXZZJHHKTORQHG-MRXNPFEDSA-N 2 0 314.477 2.452 20 30 DEEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895608206 638109131 /nfs/dbraw/zinc/10/91/31/638109131.db2.gz ZIKGFLOEPIXKQH-MRXNPFEDSA-N 2 0 300.450 2.468 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000303775994 639443088 /nfs/dbraw/zinc/44/30/88/639443088.db2.gz HIXYVCOKJTZIMF-QGZVFWFLSA-N 2 0 318.465 2.332 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000986566033 639935129 /nfs/dbraw/zinc/93/51/29/639935129.db2.gz KZYDMKXQXFOFMR-WFASDCNBSA-N 2 0 318.808 2.279 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000987553391 640219272 /nfs/dbraw/zinc/21/92/72/640219272.db2.gz UORVBRRPQMITOX-PBHICJAKSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000763974734 640591761 /nfs/dbraw/zinc/59/17/61/640591761.db2.gz YQNFRVCVNPQZRA-CQSZACIVSA-N 2 0 307.463 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606742 641167392 /nfs/dbraw/zinc/16/73/92/641167392.db2.gz UKCXEDHPRMFTHE-GJZGRUSLSA-N 2 0 313.873 2.050 20 30 DEEDRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902730423 643123303 /nfs/dbraw/zinc/12/33/03/643123303.db2.gz RAXPLGIEZXMBRE-SFHVURJKSA-N 2 0 300.450 2.236 20 30 DEEDRP C=CC[N@H+](CCc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725864 643440984 /nfs/dbraw/zinc/44/09/84/643440984.db2.gz INAATVUHDVCHIO-OALUTQOASA-N 2 0 300.446 2.486 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000908230549 644789074 /nfs/dbraw/zinc/78/90/74/644789074.db2.gz PCCKNMIOFWIHMD-AEFFLSMTSA-N 2 0 315.461 2.274 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908491099 644875136 /nfs/dbraw/zinc/87/51/36/644875136.db2.gz SJHFBWVLWWSCKJ-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1C#N ZINC000810170637 646334907 /nfs/dbraw/zinc/33/49/07/646334907.db2.gz QQVAARNRWIGTKZ-UHFFFAOYSA-N 2 0 319.474 2.484 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991857027 646670053 /nfs/dbraw/zinc/67/00/53/646670053.db2.gz CGSPJKCFLBCRIT-HKUYNNGSSA-N 2 0 322.412 2.084 20 30 DEEDRP 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 646860303 /nfs/dbraw/zinc/86/03/03/646860303.db2.gz DCHIGRZLRVUEBO-BMFAXAFESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC000992859046 647309002 /nfs/dbraw/zinc/30/90/02/647309002.db2.gz LXZXRRCUXWCEEW-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993325189 647606336 /nfs/dbraw/zinc/60/63/36/647606336.db2.gz HPPBKJPFIIBDLQ-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993487083 647685265 /nfs/dbraw/zinc/68/52/65/647685265.db2.gz FHQNCIILCWRWGH-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993534119 647692296 /nfs/dbraw/zinc/69/22/96/647692296.db2.gz SBHHCELQBKAZLK-RHSMWYFYSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993683284 647725622 /nfs/dbraw/zinc/72/56/22/647725622.db2.gz MJXUYUIIVFHJOI-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000820810406 647922954 /nfs/dbraw/zinc/92/29/54/647922954.db2.gz WIJGGORGLFYRNW-YQQQUEKLSA-N 3 0 321.509 2.258 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC)[C@H]2C)CC1 ZINC000994491912 647969724 /nfs/dbraw/zinc/96/97/24/647969724.db2.gz AMQALEATFFVNDS-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867515 648958144 /nfs/dbraw/zinc/95/81/44/648958144.db2.gz COGRXAURZQXDOO-QGZVFWFLSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940913703 648967366 /nfs/dbraw/zinc/96/73/66/648967366.db2.gz GBULGPUIYYMBGQ-DLBZAZTESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941031570 648989788 /nfs/dbraw/zinc/98/97/88/648989788.db2.gz ASHRQTKEWBGJOZ-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215922 649021890 /nfs/dbraw/zinc/02/18/90/649021890.db2.gz BKHDNDJTZWFYAI-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941237023 649027921 /nfs/dbraw/zinc/02/79/21/649027921.db2.gz GBWLYYFXANOLRD-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941236960 649028492 /nfs/dbraw/zinc/02/84/92/649028492.db2.gz DLFAPPQAFPOEQT-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942301541 649200688 /nfs/dbraw/zinc/20/06/88/649200688.db2.gz GWBWXSRUIGGCMP-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824640 649290799 /nfs/dbraw/zinc/29/07/99/649290799.db2.gz YGZZXEMIJROKGN-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943287175 649358662 /nfs/dbraw/zinc/35/86/62/649358662.db2.gz IVKKHPVSWVLRRJ-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000304763022 685260727 /nfs/dbraw/zinc/26/07/27/685260727.db2.gz WJCRIYLDXZKZRX-OAGGEKHMSA-N 2 0 324.513 2.216 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001394487498 1158579761 /nfs/dbraw/zinc/57/97/61/1158579761.db2.gz YUHRZNKIQRNDLD-CQSZACIVSA-N 2 0 315.889 2.440 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCCCSC ZINC000305841233 685303045 /nfs/dbraw/zinc/30/30/45/685303045.db2.gz ZGIULIWNBLULEO-AWEZNQCLSA-N 2 0 300.516 2.298 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054145003 693862083 /nfs/dbraw/zinc/86/20/83/693862083.db2.gz HIPHICCYRSNQEX-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054144968 693862411 /nfs/dbraw/zinc/86/24/11/693862411.db2.gz GBIDCERMYAKERU-HKUYNNGSSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148807 693862840 /nfs/dbraw/zinc/86/28/40/693862840.db2.gz WNMIUPIWHXHLOX-HKUYNNGSSA-N 2 0 321.509 2.463 20 30 DEEDRP CC(C)[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCC(C)CC1 ZINC000303908552 685239724 /nfs/dbraw/zinc/23/97/24/685239724.db2.gz XPHMOGFWMPRIIO-HNNXBMFYSA-N 2 0 312.527 2.106 20 30 DEEDRP CCOCCCNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303911605 685239899 /nfs/dbraw/zinc/23/98/99/685239899.db2.gz ZSZVXIYKSXUACJ-HZPDHXFCSA-N 2 0 312.502 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016932216 687737410 /nfs/dbraw/zinc/73/74/10/687737410.db2.gz DYCABGQEWXDKLL-INIZCTEOSA-N 2 0 317.477 2.019 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016985946 687749425 /nfs/dbraw/zinc/74/94/25/687749425.db2.gz NDQORFFLEMPQRX-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001375744585 1158859819 /nfs/dbraw/zinc/85/98/19/1158859819.db2.gz AICSZNGAINSULI-SOUVJXGZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001020207795 688485338 /nfs/dbraw/zinc/48/53/38/688485338.db2.gz PBXJLLWKXPWHSW-HDJSIYSDSA-N 2 0 307.463 2.236 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000366 688548241 /nfs/dbraw/zinc/54/82/41/688548241.db2.gz BZWXQNJFICBWGM-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)C(C)C ZINC000870864081 688670735 /nfs/dbraw/zinc/67/07/35/688670735.db2.gz TXXIZGVBQYIOTL-BRWVUGGUSA-N 2 0 307.482 2.319 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083318 689381099 /nfs/dbraw/zinc/38/10/99/689381099.db2.gz ZQPXHOGIFRIHOR-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083319 689381848 /nfs/dbraw/zinc/38/18/48/689381848.db2.gz ZQPXHOGIFRIHOR-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033147083 689405065 /nfs/dbraw/zinc/40/50/65/689405065.db2.gz SAIYRIAQFPWYAE-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033294640 689452022 /nfs/dbraw/zinc/45/20/22/689452022.db2.gz CFBGFMPPIWIJQE-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423461 689495518 /nfs/dbraw/zinc/49/55/18/689495518.db2.gz RMKUMDDTCYHUCH-GOSISDBHSA-N 2 0 315.461 2.123 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470633 689513257 /nfs/dbraw/zinc/51/32/57/689513257.db2.gz BRKLBMWWDWXZBZ-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033934983 689666162 /nfs/dbraw/zinc/66/61/62/689666162.db2.gz OQBIHTQCRQAOPE-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938358 689667838 /nfs/dbraw/zinc/66/78/38/689667838.db2.gz VWXOSMZLGKAZSN-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034008175 689691114 /nfs/dbraw/zinc/69/11/14/689691114.db2.gz SJUXRRGPGZTSFF-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251008 689782847 /nfs/dbraw/zinc/78/28/47/689782847.db2.gz USHLZYIWFWBMDC-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034284954 689795132 /nfs/dbraw/zinc/79/51/32/689795132.db2.gz AIVQUAQJPQYAMB-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034475900 689865081 /nfs/dbraw/zinc/86/50/81/689865081.db2.gz XWFGAXUCQQXTDW-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000876721057 689914830 /nfs/dbraw/zinc/91/48/30/689914830.db2.gz QHSPZFNKPUQZND-MRXNPFEDSA-N 2 0 321.852 2.369 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000876723782 689916168 /nfs/dbraw/zinc/91/61/68/689916168.db2.gz HIVPITZFZFYFGH-AWEZNQCLSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000876735231 689920843 /nfs/dbraw/zinc/92/08/43/689920843.db2.gz BZLIZZYKCAYZQX-BMFZPTHFSA-N 2 0 321.852 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000876742212 689923963 /nfs/dbraw/zinc/92/39/63/689923963.db2.gz ZVZLYJDSXWRDOK-BBRMVZONSA-N 2 0 321.852 2.019 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035226377 690066099 /nfs/dbraw/zinc/06/60/99/690066099.db2.gz HLRUJVAQAGWORN-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001375882714 1158911907 /nfs/dbraw/zinc/91/19/07/1158911907.db2.gz LDWQCAIEUKIYKC-HOCLYGCPSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001036222969 690295234 /nfs/dbraw/zinc/29/52/34/690295234.db2.gz CTMIAPBSFJGMPY-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793986 690476396 /nfs/dbraw/zinc/47/63/96/690476396.db2.gz NREZCJUGBRZRJC-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833443 690492429 /nfs/dbraw/zinc/49/24/29/690492429.db2.gz UFUQEUGKMTTZJU-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP COCC[N@@H+](Cc1cc(C#N)ccc1F)CC1CC[NH+](C)CC1 ZINC000879123626 690573120 /nfs/dbraw/zinc/57/31/20/690573120.db2.gz XXAHSIOQTXSMHY-UHFFFAOYSA-N 2 0 319.424 2.488 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001037863349 690626637 /nfs/dbraw/zinc/62/66/37/690626637.db2.gz XUHHGXADARLEHO-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040275 691000397 /nfs/dbraw/zinc/00/03/97/691000397.db2.gz QBKNDHHRHGTQJS-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C#Cc1ccc(NC(=O)CCN2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931517310 694418846 /nfs/dbraw/zinc/41/88/46/694418846.db2.gz WSXRHEKCEGZPJY-UHFFFAOYSA-N 2 0 320.396 2.032 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159726 691035455 /nfs/dbraw/zinc/03/54/55/691035455.db2.gz XBIKXAUNSILMME-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039239651 691064567 /nfs/dbraw/zinc/06/45/67/691064567.db2.gz UGUJNJGEXCJVCL-RDJZCZTQSA-N 2 0 316.449 2.231 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242785 691066611 /nfs/dbraw/zinc/06/66/11/691066611.db2.gz RDDQMVANGMUJOK-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001039307780 691078321 /nfs/dbraw/zinc/07/83/21/691078321.db2.gz ZBMSIMANCADYDK-CSNJMZFVSA-N 2 0 319.493 2.406 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401464 691098092 /nfs/dbraw/zinc/09/80/92/691098092.db2.gz DTDCCDRAEFONAX-SJORKVTESA-N 2 0 322.412 2.037 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040230805 691216882 /nfs/dbraw/zinc/21/68/82/691216882.db2.gz GBFYTXKXSUMWCE-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250548 691220291 /nfs/dbraw/zinc/22/02/91/691220291.db2.gz QVVVNNDOENQHAS-FUHWJXTLSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040542928 691263485 /nfs/dbraw/zinc/26/34/85/691263485.db2.gz GRAFEUBGJMFHBH-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040849085 691292794 /nfs/dbraw/zinc/29/27/94/691292794.db2.gz OQLHVMINYLCXLY-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785581 691429874 /nfs/dbraw/zinc/42/98/74/691429874.db2.gz ITEDIYYUPAUIAU-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000883189039 691453044 /nfs/dbraw/zinc/45/30/44/691453044.db2.gz XABYVWRMEYQYRR-WDSOQIARSA-N 2 0 321.509 2.258 20 30 DEEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CCCO1 ZINC000883207625 691456875 /nfs/dbraw/zinc/45/68/75/691456875.db2.gz PVSAYPOCRLIMRM-ZSYWTGECSA-N 2 0 322.493 2.468 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094175 691506553 /nfs/dbraw/zinc/50/65/53/691506553.db2.gz QFVBUIPRXOOALD-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133349 691517386 /nfs/dbraw/zinc/51/73/86/691517386.db2.gz JDTMHNAEVAVORS-QAPCUYQASA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288891 691559010 /nfs/dbraw/zinc/55/90/10/691559010.db2.gz WIZWOEZZGPJEKH-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042288890 691559298 /nfs/dbraw/zinc/55/92/98/691559298.db2.gz WIZWOEZZGPJEKH-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001044682386 691871859 /nfs/dbraw/zinc/87/18/59/691871859.db2.gz PTTIVLMOOMBHAN-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045963612 692063871 /nfs/dbraw/zinc/06/38/71/692063871.db2.gz LTMPZCGGGNRMOA-IEBWSBKVSA-N 2 0 321.509 2.463 20 30 DEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000887136481 692289232 /nfs/dbraw/zinc/28/92/32/692289232.db2.gz UZKDEVFBNYVBDB-WBVHZDCISA-N 2 0 314.433 2.037 20 30 DEEDRP 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 692640301 /nfs/dbraw/zinc/64/03/01/692640301.db2.gz YOEYUISYSMLILY-UYTYNIKBSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615453 692940476 /nfs/dbraw/zinc/94/04/76/692940476.db2.gz KCSJPADCBROVDI-KURKYZTESA-N 2 0 317.477 2.112 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049920597 693048071 /nfs/dbraw/zinc/04/80/71/693048071.db2.gz SOLDRGAYBIHKDW-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063496 693097567 /nfs/dbraw/zinc/09/75/67/693097567.db2.gz LXBQIKBTSUSJSF-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050086092 693104831 /nfs/dbraw/zinc/10/48/31/693104831.db2.gz UGULDUPRBLFTOG-FUHWJXTLSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050139754 693118605 /nfs/dbraw/zinc/11/86/05/693118605.db2.gz GCROMPRKNSPWJP-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050545377 693204563 /nfs/dbraw/zinc/20/45/63/693204563.db2.gz CSXKNAIOOPZNJI-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001050546173 693204774 /nfs/dbraw/zinc/20/47/74/693204774.db2.gz WYGSBLUYUXQDBS-KRWDZBQOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663009 693226966 /nfs/dbraw/zinc/22/69/66/693226966.db2.gz PQILNELBFWFSAQ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001050731167 693239730 /nfs/dbraw/zinc/23/97/30/693239730.db2.gz WAXJHXQSKLPEOD-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052375980 693518430 /nfs/dbraw/zinc/51/84/30/693518430.db2.gz ARHRMBCBJAVUIZ-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651726 693588631 /nfs/dbraw/zinc/58/86/31/693588631.db2.gz MNTIHXKTJKGDDH-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651857 693589121 /nfs/dbraw/zinc/58/91/21/693589121.db2.gz NVIFSNOHCRUWQY-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107166 782192910 /nfs/dbraw/zinc/19/29/10/782192910.db2.gz WKHOVNAWANTUSX-HOTGVXAUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001402329190 1162325902 /nfs/dbraw/zinc/32/59/02/1162325902.db2.gz MKUMURLLTNWBSH-AWEZNQCLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001402616868 1162411408 /nfs/dbraw/zinc/41/14/08/1162411408.db2.gz HGTLLWRLXSQNFF-CQSZACIVSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001381986113 1153305893 /nfs/dbraw/zinc/30/58/93/1153305893.db2.gz SZNWEXKAEIGIFS-UHFFFAOYSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001382020936 1153320345 /nfs/dbraw/zinc/32/03/45/1153320345.db2.gz XLTWITRZKNSXTE-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001392074105 1156862489 /nfs/dbraw/zinc/86/24/89/1156862489.db2.gz JBOUEZUVHWRZQN-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001571613981 1159871557 /nfs/dbraw/zinc/87/15/57/1159871557.db2.gz QADAYTZIHRPABE-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001401954264 1162195132 /nfs/dbraw/zinc/19/51/32/1162195132.db2.gz SPJZLGUDLREVLK-AWEZNQCLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001417962204 1167330737 /nfs/dbraw/zinc/33/07/37/1167330737.db2.gz YVSQXHUAUWJYRU-CQSZACIVSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001418257818 1167524107 /nfs/dbraw/zinc/52/41/07/1167524107.db2.gz RBUKYOKWFTZWLM-CYBMUJFWSA-N 2 0 318.808 2.333 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001419613721 1168678145 /nfs/dbraw/zinc/67/81/45/1168678145.db2.gz XWRWEAXXLZMHFO-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001424840176 1173978887 /nfs/dbraw/zinc/97/88/87/1173978887.db2.gz KGFFNYOTJMXLCP-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001436669385 1179176651 /nfs/dbraw/zinc/17/66/51/1179176651.db2.gz OIEKNEXXEIGOKT-LSDHHAIUSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001438715146 1180784047 /nfs/dbraw/zinc/78/40/47/1180784047.db2.gz PLAGGQIWVHNSCW-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438771282 1180808583 /nfs/dbraw/zinc/80/85/83/1180808583.db2.gz PJJDFDWRATYUMZ-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001441850212 1182214688 /nfs/dbraw/zinc/21/46/88/1182214688.db2.gz AHHXETNOROANMB-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001072907739 790298553 /nfs/dbraw/zinc/29/85/53/790298553.db2.gz WFBOSXYORUAZOG-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271949 782600512 /nfs/dbraw/zinc/60/05/12/782600512.db2.gz PZXHJKWFJGUYCL-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357105 782796995 /nfs/dbraw/zinc/79/69/95/782796995.db2.gz RRLFKSPNESQVNP-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106730552 782896029 /nfs/dbraw/zinc/89/60/29/782896029.db2.gz DVJJHKGIYWTZQZ-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536256 783189835 /nfs/dbraw/zinc/18/98/35/783189835.db2.gz ANHFELMVAHAGSL-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCCC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001209429207 776712200 /nfs/dbraw/zinc/71/22/00/776712200.db2.gz WLKSWOFGNCSVCE-UHFFFAOYSA-N 2 0 307.482 2.395 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167223835 776780018 /nfs/dbraw/zinc/78/00/18/776780018.db2.gz BCGXQLRDXQWTEL-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104376372 777175197 /nfs/dbraw/zinc/17/51/97/777175197.db2.gz BQDZIMBCQJYJKZ-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681233 777709010 /nfs/dbraw/zinc/70/90/10/777709010.db2.gz CFSHMUPUACIEIG-UHFFFAOYSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318433 777783077 /nfs/dbraw/zinc/78/30/77/777783077.db2.gz XSZRMDHDVBGTAO-NXHRZFHOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105067384 778322980 /nfs/dbraw/zinc/32/29/80/778322980.db2.gz YJCYSBUUDVXJGF-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454387 790665726 /nfs/dbraw/zinc/66/57/26/790665726.db2.gz LMBOESUBOCKEGU-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460676 790669066 /nfs/dbraw/zinc/66/90/66/790669066.db2.gz IGJBIMLJTLADOE-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075784793 779232763 /nfs/dbraw/zinc/23/27/63/779232763.db2.gz HWDUNKVCUUPABZ-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640635 779393155 /nfs/dbraw/zinc/39/31/55/779393155.db2.gz ODLXBOURPUWGQQ-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001088329947 779968008 /nfs/dbraw/zinc/96/80/08/779968008.db2.gz LENMOZNSLZBKNW-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075906555 780532941 /nfs/dbraw/zinc/53/29/41/780532941.db2.gz QBLAMRDYHDWXRI-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291485 780809741 /nfs/dbraw/zinc/80/97/41/780809741.db2.gz YXOXZNFHJXHCIB-IYBDPMFKSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768915 780969286 /nfs/dbraw/zinc/96/92/86/780969286.db2.gz JVPTZEBMFXXXCG-HYVNUMGLSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088791846 780992186 /nfs/dbraw/zinc/99/21/86/780992186.db2.gz GNXAUOKRFUPZFY-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)[C@@H]2C1 ZINC001076303152 781203252 /nfs/dbraw/zinc/20/32/52/781203252.db2.gz LMDRELWQAIHWET-IXDOHACOSA-N 2 0 316.449 2.333 20 30 DEEDRP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616526 783283186 /nfs/dbraw/zinc/28/31/86/783283186.db2.gz JHZSJWDVAVTKHV-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732139 783396695 /nfs/dbraw/zinc/39/66/95/783396695.db2.gz NLKIHLGDEAUZCW-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001085331698 783642202 /nfs/dbraw/zinc/64/22/02/783642202.db2.gz WSFCZGPSDSJJPK-RRFJBIMHSA-N 2 0 313.873 2.240 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090406 783881288 /nfs/dbraw/zinc/88/12/88/783881288.db2.gz TYSJRWMITIOIJU-KSSFIOAISA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264158 783914823 /nfs/dbraw/zinc/91/48/23/783914823.db2.gz HHKDFWWRNKQRRI-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985346 784287503 /nfs/dbraw/zinc/28/75/03/784287503.db2.gz ZTMNNXRWXYAISQ-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968954499 784669665 /nfs/dbraw/zinc/66/96/65/784669665.db2.gz DVMFVIBMFKOGQI-KRWDZBQOSA-N 2 0 324.428 2.332 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001203330324 784770708 /nfs/dbraw/zinc/77/07/08/784770708.db2.gz GMGANSMEAQCYPL-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007724412 784983201 /nfs/dbraw/zinc/98/32/01/784983201.db2.gz VKAOLDASOJVOJV-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169119340 785042655 /nfs/dbraw/zinc/04/26/55/785042655.db2.gz ROZMMTWEFCRQFW-OSYLJGHBSA-N 2 0 321.465 2.236 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749975 785524257 /nfs/dbraw/zinc/52/42/57/785524257.db2.gz RCRFGBIODVONMD-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001091376462 791128370 /nfs/dbraw/zinc/12/83/70/791128370.db2.gz ZIUNELBPIWCVKS-UHFFFAOYSA-N 2 0 315.461 2.422 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccccc2OCC#N)CC1 ZINC001212599483 786245536 /nfs/dbraw/zinc/24/55/36/786245536.db2.gz WNDFINAVNQKDJW-UHFFFAOYSA-N 2 0 323.400 2.479 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001113346252 786538904 /nfs/dbraw/zinc/53/89/04/786538904.db2.gz SWWAYYFTOUWXID-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097063627 787962694 /nfs/dbraw/zinc/96/26/94/787962694.db2.gz OOZWIGBSXYQNLY-WCXIOVBPSA-N 2 0 305.466 2.157 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519029 788107322 /nfs/dbraw/zinc/10/73/22/788107322.db2.gz RNYOREUJFBIEJL-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524093 788113033 /nfs/dbraw/zinc/11/30/33/788113033.db2.gz CZOIMPBUVHZMCK-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132894062 788221033 /nfs/dbraw/zinc/22/10/33/788221033.db2.gz WMXXPJJOOZXYMT-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132949994 788236676 /nfs/dbraw/zinc/23/66/76/788236676.db2.gz IVERFUASMASNGB-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973358 788240032 /nfs/dbraw/zinc/24/00/32/788240032.db2.gz KMNNPKBVCCDEAZ-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953223 788241041 /nfs/dbraw/zinc/24/10/41/788241041.db2.gz CRYBAXPEWMWAMP-ZBFHGGJFSA-N 2 0 312.417 2.208 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132956141 788243096 /nfs/dbraw/zinc/24/30/96/788243096.db2.gz YUHKQIAVVZGLHR-WBVHZDCISA-N 2 0 324.428 2.045 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133121291 788287805 /nfs/dbraw/zinc/28/78/05/788287805.db2.gz GBHOMZNMPVSPTR-SJORKVTESA-N 2 0 321.509 2.062 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133123044 788287984 /nfs/dbraw/zinc/28/79/84/788287984.db2.gz XYZDCMADVARUMQ-IAGOWNOFSA-N 2 0 321.509 2.062 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133212915 788320223 /nfs/dbraw/zinc/32/02/23/788320223.db2.gz GWTDPCSBZINETJ-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369909 788900460 /nfs/dbraw/zinc/90/04/60/788900460.db2.gz USLJCTUUHJXSNB-JKSUJKDBSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134819672 789106981 /nfs/dbraw/zinc/10/69/81/789106981.db2.gz CFXIPQVURAANEK-ZIAGYGMSSA-N 2 0 312.417 2.153 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858535 789116814 /nfs/dbraw/zinc/11/68/14/789116814.db2.gz VMFFYIKEUHBBKX-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481805 789358422 /nfs/dbraw/zinc/35/84/22/789358422.db2.gz XSFQQQQJBOVRHH-SJORKVTESA-N 2 0 317.477 2.220 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135961235 789580564 /nfs/dbraw/zinc/58/05/64/789580564.db2.gz NOVPUPRCIYIIRV-KBPBESRZSA-N 2 0 303.878 2.344 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071599825 789803612 /nfs/dbraw/zinc/80/36/12/789803612.db2.gz AXHXOCPFVGXJTP-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600045 789804011 /nfs/dbraw/zinc/80/40/11/789804011.db2.gz FERLHGRTXHXIID-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071651458 789842011 /nfs/dbraw/zinc/84/20/11/789842011.db2.gz IWBPXWJZUPLNQF-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001072813374 790256752 /nfs/dbraw/zinc/25/67/52/790256752.db2.gz PEXDKKCGIZDWNK-KRWDZBQOSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146582406 791316750 /nfs/dbraw/zinc/31/67/50/791316750.db2.gz HCMXWVOZFJWWMP-HUUCEWRRSA-N 2 0 303.450 2.421 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C)CC1 ZINC001146610391 791322776 /nfs/dbraw/zinc/32/27/76/791322776.db2.gz JAJUMIWEHRMCJR-DLBZAZTESA-N 2 0 321.509 2.251 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001146613965 791324403 /nfs/dbraw/zinc/32/44/03/791324403.db2.gz WBBNOZYZYHLIGV-IAGOWNOFSA-N 2 0 319.493 2.171 20 30 DEEDRP 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 791636213 /nfs/dbraw/zinc/63/62/13/791636213.db2.gz AMNHPTAMPVPQLD-LMMKCTJWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226527 791715383 /nfs/dbraw/zinc/71/53/83/791715383.db2.gz IOBAJHUNFPUVMJ-MRXNPFEDSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148657519 791789749 /nfs/dbraw/zinc/78/97/49/791789749.db2.gz VNGZVYRKBGWREQ-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086883038 791836322 /nfs/dbraw/zinc/83/63/22/791836322.db2.gz FOYCXVRNQNVKIH-DOTOQJQBSA-N 2 0 315.461 2.422 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943344 791857645 /nfs/dbraw/zinc/85/76/45/791857645.db2.gz RKWIXVFCUGLVDS-SJORKVTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952749 791863048 /nfs/dbraw/zinc/86/30/48/791863048.db2.gz PHPODHTVYUGRHY-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956551 791863824 /nfs/dbraw/zinc/86/38/24/791863824.db2.gz PWQCXDAMTZQHAH-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835052 791957544 /nfs/dbraw/zinc/95/75/44/791957544.db2.gz IPPPUQAYZGDVFO-LNLFQRSKSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875208 791971701 /nfs/dbraw/zinc/97/17/01/791971701.db2.gz ONMNZRGTRKAECD-LNLFQRSKSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010822 792032970 /nfs/dbraw/zinc/03/29/70/792032970.db2.gz OSMQCMUTOKDBBL-HKUYNNGSSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110908 792100537 /nfs/dbraw/zinc/10/05/37/792100537.db2.gz LTNKYUJRQOIWQI-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310149 792166629 /nfs/dbraw/zinc/16/66/29/792166629.db2.gz ILSXFOZANWRAJL-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP 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 792231154 /nfs/dbraw/zinc/23/11/54/792231154.db2.gz SRIFHSXJSVPXLO-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP 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 792239321 /nfs/dbraw/zinc/23/93/21/792239321.db2.gz BPOBKWUYRODDBM-MLHJIOFPSA-N 2 0 319.493 2.072 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100410639 792635353 /nfs/dbraw/zinc/63/53/53/792635353.db2.gz GKIDYPCKFKXRLR-FHERZECASA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765944 792833436 /nfs/dbraw/zinc/83/34/36/792833436.db2.gz IUCGTOUSPVBTSB-OFLPRAFFSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419004 792909556 /nfs/dbraw/zinc/90/95/56/792909556.db2.gz KQKXGEQXWKLPJP-YWTNHNAXSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100981016 792953786 /nfs/dbraw/zinc/95/37/86/792953786.db2.gz QYTHEJAIYWKNDU-CGZBRXJRSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364081 793133989 /nfs/dbraw/zinc/13/39/89/793133989.db2.gz MOODZVICQNNRKV-SCTDSRPQSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646063 793158383 /nfs/dbraw/zinc/15/83/83/793158383.db2.gz IBGNMGAXUXRMQP-MSOLQXFVSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001101522215 793204817 /nfs/dbraw/zinc/20/48/17/793204817.db2.gz QDIRHHQNPSHFPB-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171918717 793251363 /nfs/dbraw/zinc/25/13/63/793251363.db2.gz SCBMTZYYPWOOAO-DOTOQJQBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189121 793525211 /nfs/dbraw/zinc/52/52/11/793525211.db2.gz XFXKOVFOWHOMLV-KBAYOESNSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524720 793640417 /nfs/dbraw/zinc/64/04/17/793640417.db2.gz SORQKYQQOSQLLJ-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780952 793752571 /nfs/dbraw/zinc/75/25/71/793752571.db2.gz WHBXXOMTBTZITC-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103193925 793978347 /nfs/dbraw/zinc/97/83/47/793978347.db2.gz QTSRYEYZTPDZEC-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268282 794011213 /nfs/dbraw/zinc/01/12/13/794011213.db2.gz VKLUPEDVOJLGRJ-KBAYOESNSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103614923 794159505 /nfs/dbraw/zinc/15/95/05/794159505.db2.gz WKMVSLNWDXDCDU-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648142 794176788 /nfs/dbraw/zinc/17/67/88/794176788.db2.gz WEDRPWURLOHOFV-HUUCEWRRSA-N 2 0 316.449 2.021 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728635 794482334 /nfs/dbraw/zinc/48/23/34/794482334.db2.gz NBAJTMOGMIGQJZ-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001176925787 794529708 /nfs/dbraw/zinc/52/97/08/794529708.db2.gz BRKVIJDJKHLYFG-KRWDZBQOSA-N 2 0 321.509 2.110 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176992467 794551955 /nfs/dbraw/zinc/55/19/55/794551955.db2.gz QBOUODBLPFGKGL-OAHLLOKOSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115305595 794729332 /nfs/dbraw/zinc/72/93/32/794729332.db2.gz ADEYVRKGTSQIOH-MLHJIOFPSA-N 2 0 319.493 2.119 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768574 794913902 /nfs/dbraw/zinc/91/39/02/794913902.db2.gz CMSWEEUEKZQOHY-DLBZAZTESA-N 2 0 317.477 2.045 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178472509 794931863 /nfs/dbraw/zinc/93/18/63/794931863.db2.gz XDTFQSOBHMWZQI-QGZVFWFLSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178484365 794935961 /nfs/dbraw/zinc/93/59/61/794935961.db2.gz UCNQWHUSXGVUHC-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179476150 795121579 /nfs/dbraw/zinc/12/15/79/795121579.db2.gz NIFZZFAJLOFQAO-VYDXJSESSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179587371 795138543 /nfs/dbraw/zinc/13/85/43/795138543.db2.gz ZWTONARKHCMFRM-HIFRSBDPSA-N 2 0 315.889 2.203 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)[C@H]1C ZINC001179907975 795208508 /nfs/dbraw/zinc/20/85/08/795208508.db2.gz JOIUWIVKBVLFPP-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065355 795234546 /nfs/dbraw/zinc/23/45/46/795234546.db2.gz OMEOIURUTQAELN-ROUUACIJSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190543 795419356 /nfs/dbraw/zinc/41/93/56/795419356.db2.gz UYNXDVSBMGLALM-IRXDYDNUSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430150 795458996 /nfs/dbraw/zinc/45/89/96/795458996.db2.gz IPACKNQCANATDL-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439484 795459348 /nfs/dbraw/zinc/45/93/48/795459348.db2.gz HBBISEIFFLMBHV-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440482 795461382 /nfs/dbraw/zinc/46/13/82/795461382.db2.gz NQPNALDTCRJFKS-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121246441 795608054 /nfs/dbraw/zinc/60/80/54/795608054.db2.gz PYEQUSNQECVTIN-UHFFFAOYSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182409848 795665970 /nfs/dbraw/zinc/66/59/70/795665970.db2.gz DFLGXSGBJJROLJ-CZUORRHYSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001182485425 795698240 /nfs/dbraw/zinc/69/82/40/795698240.db2.gz ASGVQYQEDYBIFS-VQIMIIECSA-N 2 0 321.509 2.369 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182684555 795733418 /nfs/dbraw/zinc/73/34/18/795733418.db2.gz QXKYCADZCGPTLU-BRWVUGGUSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001122336291 795748550 /nfs/dbraw/zinc/74/85/50/795748550.db2.gz UZANXMPXZDDROA-GDBMZVCRSA-N 2 0 301.434 2.224 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240680 795836168 /nfs/dbraw/zinc/83/61/68/795836168.db2.gz PGRWARJAZMETIH-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576996 795895561 /nfs/dbraw/zinc/89/55/61/795895561.db2.gz UEAWLIJDBXPZCK-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001137552889 796113049 /nfs/dbraw/zinc/11/30/49/796113049.db2.gz HPPFKCGDEHKBOM-IAGOWNOFSA-N 2 0 315.461 2.226 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184726163 796116396 /nfs/dbraw/zinc/11/63/96/796116396.db2.gz VEMKLJGEXDLLOK-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184736793 796118314 /nfs/dbraw/zinc/11/83/14/796118314.db2.gz WYULBFUFFOKAFR-ZBFHGGJFSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185029881 796174760 /nfs/dbraw/zinc/17/47/60/796174760.db2.gz JCFRWQPOHPZAFQ-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185167185 796200158 /nfs/dbraw/zinc/20/01/58/796200158.db2.gz CXDHBPMOASZHFW-DLBZAZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185359976 796238721 /nfs/dbraw/zinc/23/87/21/796238721.db2.gz MTETYYXCFIZBQU-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385562 796246501 /nfs/dbraw/zinc/24/65/01/796246501.db2.gz RSJGXKUEUJFRQW-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001185729955 796309970 /nfs/dbraw/zinc/30/99/70/796309970.db2.gz KEECAICVKHDWLK-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161205904 796451613 /nfs/dbraw/zinc/45/16/13/796451613.db2.gz HRXPYYDOXULABE-INIZCTEOSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161205907 796474713 /nfs/dbraw/zinc/47/47/13/796474713.db2.gz HRXPYYDOXULABE-MRXNPFEDSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203027106 796512781 /nfs/dbraw/zinc/51/27/81/796512781.db2.gz CMYPBGVGHGJGCP-JKSUJKDBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018447 796757391 /nfs/dbraw/zinc/75/73/91/796757391.db2.gz QHIVSMXPDDQLQH-RYQLBKOJSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055193 796760913 /nfs/dbraw/zinc/76/09/13/796760913.db2.gz OSTBGKXRAYVXRS-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389234 796816759 /nfs/dbraw/zinc/81/67/59/796816759.db2.gz IWYUDRCEBVSOAA-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084461 796935528 /nfs/dbraw/zinc/93/55/28/796935528.db2.gz NSMKORKPADPTCE-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191080604 797133873 /nfs/dbraw/zinc/13/38/73/797133873.db2.gz JQHHDHZFJUIQGN-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153677420 797374944 /nfs/dbraw/zinc/37/49/44/797374944.db2.gz CPWMFWHPBOBZGE-CABCVRRESA-N 2 0 301.450 2.069 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382802 797556149 /nfs/dbraw/zinc/55/61/49/797556149.db2.gz MUTMAOHHWWZQHJ-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203792314 797708432 /nfs/dbraw/zinc/70/84/32/797708432.db2.gz OSSASHFPWMLTIL-HOTGVXAUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156342063 797979121 /nfs/dbraw/zinc/97/91/21/797979121.db2.gz TYJULGNIKFAVQX-APWZRJJASA-N 2 0 317.477 2.476 20 30 DEEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158111 798156810 /nfs/dbraw/zinc/15/68/10/798156810.db2.gz HLYMJQVYNJTZDQ-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001198221681 798295649 /nfs/dbraw/zinc/29/56/49/798295649.db2.gz MWWZKCCEMMFPMU-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157951178 798312352 /nfs/dbraw/zinc/31/23/52/798312352.db2.gz RQIWGUTXDLAIPR-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159155381 798530219 /nfs/dbraw/zinc/53/02/19/798530219.db2.gz NXVREXJTLFUTCI-HUUCEWRRSA-N 2 0 301.450 2.117 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159900936 798623998 /nfs/dbraw/zinc/62/39/98/798623998.db2.gz DTOPFILKZJUATG-AWEZNQCLSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001200577660 798651830 /nfs/dbraw/zinc/65/18/30/798651830.db2.gz CQPUEKYSIFLEET-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001201268022 798732213 /nfs/dbraw/zinc/73/22/13/798732213.db2.gz VDMOPSPMPHUNGT-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C[NH+]1CCN(c2cc(Nc3ccc(O)c(C#N)c3)cc[nH+]2)CC1 ZINC001201667027 798780730 /nfs/dbraw/zinc/78/07/30/798780730.db2.gz KQJHLBPHHGXTNB-UHFFFAOYSA-N 2 0 309.373 2.154 20 30 DEEDRP Cc1nsc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1C#N ZINC001201649250 798784686 /nfs/dbraw/zinc/78/46/86/798784686.db2.gz QJTWGXBCYVJYDS-UHFFFAOYSA-N 2 0 314.418 2.214 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201839957 798803161 /nfs/dbraw/zinc/80/31/61/798803161.db2.gz MDNNQFMWMJCSJQ-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553934 798883617 /nfs/dbraw/zinc/88/36/17/798883617.db2.gz JRYDPVVNIYWVJG-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161869816 798953211 /nfs/dbraw/zinc/95/32/11/798953211.db2.gz LWVWIRKYLPLIMF-QGZVFWFLSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463521 799128845 /nfs/dbraw/zinc/12/88/45/799128845.db2.gz IWUMUQUNWVOMKG-TWMKSMIVSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481787 799522001 /nfs/dbraw/zinc/52/20/01/799522001.db2.gz UWUHNAQPELEDLA-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668582 799688155 /nfs/dbraw/zinc/68/81/55/799688155.db2.gz RXAFAEMPABWMLR-OWSLCNJRSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165314190 799702841 /nfs/dbraw/zinc/70/28/41/799702841.db2.gz INXOOPOHZNOHBY-OAHLLOKOSA-N 2 0 313.461 2.119 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728404 799766645 /nfs/dbraw/zinc/76/66/45/799766645.db2.gz QWRSKSWPEXHHGN-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165992844 799809821 /nfs/dbraw/zinc/80/98/21/799809821.db2.gz LAMVGYAANFKMJI-UHFFFAOYSA-N 2 0 312.417 2.400 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203780182 800121538 /nfs/dbraw/zinc/12/15/38/800121538.db2.gz DVWLVUXDBQSBNW-HOTGVXAUSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001203902531 800143291 /nfs/dbraw/zinc/14/32/91/800143291.db2.gz DZRFAPVLACBVKP-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205335371 800344643 /nfs/dbraw/zinc/34/46/43/800344643.db2.gz YMINSJDNVMYZOG-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205621120 800388903 /nfs/dbraw/zinc/38/89/03/800388903.db2.gz RZTPNCHSVRGXHW-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206876203 800613232 /nfs/dbraw/zinc/61/32/32/800613232.db2.gz RUSSBSNOCFPMJZ-UHFFFAOYSA-N 2 0 316.449 2.166 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208113880 800915441 /nfs/dbraw/zinc/91/54/41/800915441.db2.gz JSXOPSGWJJBFHN-KBAYOESNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001208596620 801023759 /nfs/dbraw/zinc/02/37/59/801023759.db2.gz VUPOBOWSDCCCSF-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208604759 801026323 /nfs/dbraw/zinc/02/63/23/801026323.db2.gz TYCQUXFBVKUUJO-MRXNPFEDSA-N 2 0 309.454 2.095 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918958 801093482 /nfs/dbraw/zinc/09/34/82/801093482.db2.gz NLFOXJCVEQAAAU-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCC[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001209201150 801149585 /nfs/dbraw/zinc/14/95/85/801149585.db2.gz VUABOXQUVIZNSS-UHFFFAOYSA-N 2 0 317.477 2.167 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cnc1C ZINC001229933088 801338329 /nfs/dbraw/zinc/33/83/29/801338329.db2.gz FVCWJKJJDGOEIX-HUUCEWRRSA-N 2 0 304.438 2.244 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592304 801431097 /nfs/dbraw/zinc/43/10/97/801431097.db2.gz YANSDLIXRAAEME-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210633816 801436237 /nfs/dbraw/zinc/43/62/37/801436237.db2.gz HPKBNGZPKGSDJF-GOSISDBHSA-N 2 0 321.509 2.493 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261843 801539473 /nfs/dbraw/zinc/53/94/73/801539473.db2.gz DULSPLYNIDTZLR-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153287 801812699 /nfs/dbraw/zinc/81/26/99/801812699.db2.gz LCBSYJQNGYGUHE-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216845058 802031970 /nfs/dbraw/zinc/03/19/70/802031970.db2.gz VRNOVNCWPMXFNW-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001219270469 802303793 /nfs/dbraw/zinc/30/37/93/802303793.db2.gz KKEFRTSCGXATJB-INIZCTEOSA-N 2 0 308.385 2.230 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234344750 802358499 /nfs/dbraw/zinc/35/84/99/802358499.db2.gz CRKWVSHSTSPBKC-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332901 802557129 /nfs/dbraw/zinc/55/71/29/802557129.db2.gz OAMSNVFWIQCORP-ROUUACIJSA-N 2 0 315.461 2.362 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631526 802599199 /nfs/dbraw/zinc/59/91/99/802599199.db2.gz VEANENBFWWFQQO-ZACQAIPSSA-N 2 0 307.482 2.072 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221878069 802624082 /nfs/dbraw/zinc/62/40/82/802624082.db2.gz ZPNCGIJTPDUSTD-BRWVUGGUSA-N 2 0 307.482 2.072 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013742 802633307 /nfs/dbraw/zinc/63/33/07/802633307.db2.gz JOSBXOXYVHKRRD-KZNAEPCWSA-N 2 0 321.509 2.441 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226170996 803064903 /nfs/dbraw/zinc/06/49/03/803064903.db2.gz USQMZNTUBPGVMP-BRWVUGGUSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001226615734 803131235 /nfs/dbraw/zinc/13/12/35/803131235.db2.gz YRAXLELEFKXUGS-ZACQAIPSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228435153 803360278 /nfs/dbraw/zinc/36/02/78/803360278.db2.gz MDVRNTVRRZRZDQ-RBSFLKMASA-N 2 0 315.889 2.342 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228623617 803382396 /nfs/dbraw/zinc/38/23/96/803382396.db2.gz GASMAVKFDSRUPU-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501067986 1059255642 /nfs/dbraw/zinc/25/56/42/1059255642.db2.gz VUDZVFNXLULIOU-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001501670098 1059624905 /nfs/dbraw/zinc/62/49/05/1059624905.db2.gz HIUVTKXUICPXFP-SFHVURJKSA-N 2 0 315.461 2.262 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001502245984 1060047270 /nfs/dbraw/zinc/04/72/70/1060047270.db2.gz LTFYJMJANHANHT-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C=C(C)[C@H](CO)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001473807161 1060731812 /nfs/dbraw/zinc/73/18/12/1060731812.db2.gz KETRZTZKZSBPRI-QYZOEREBSA-N 2 0 300.446 2.377 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001505775484 1060955218 /nfs/dbraw/zinc/95/52/18/1060955218.db2.gz YHMLJDZZZQEPDL-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001479321388 1061391181 /nfs/dbraw/zinc/39/11/81/1061391181.db2.gz LTEFLFSRYHRFBW-OKILXGFUSA-N 2 0 315.889 2.201 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001479624873 1061532065 /nfs/dbraw/zinc/53/20/65/1061532065.db2.gz TUXOJHPPMGOOLH-QZTJIDSGSA-N 2 0 315.461 2.098 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001479830878 1061860163 /nfs/dbraw/zinc/86/01/63/1061860163.db2.gz RJNJUMHMVFCUOA-SJORKVTESA-N 2 0 321.509 2.347 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001479830859 1061860729 /nfs/dbraw/zinc/86/07/29/1061860729.db2.gz RJNJUMHMVFCUOA-DLBZAZTESA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479852016 1061912693 /nfs/dbraw/zinc/91/26/93/1061912693.db2.gz UCAGCNPLEMPMEG-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001479870647 1061960219 /nfs/dbraw/zinc/96/02/19/1061960219.db2.gz KLVHTYKJZKJVKO-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001506894998 1062483802 /nfs/dbraw/zinc/48/38/02/1062483802.db2.gz YTLOJBUVULSPGC-QAETUUGQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480299591 1062606205 /nfs/dbraw/zinc/60/62/05/1062606205.db2.gz FANSWKQITOVJSQ-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001507286036 1063033397 /nfs/dbraw/zinc/03/33/97/1063033397.db2.gz NHOLISLLCAVYAL-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001507399590 1063229984 /nfs/dbraw/zinc/22/99/84/1063229984.db2.gz AYYKIQKRSOVGDT-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001507408503 1063243238 /nfs/dbraw/zinc/24/32/38/1063243238.db2.gz GQVGSKVOWOZAGX-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480724648 1063247685 /nfs/dbraw/zinc/24/76/85/1063247685.db2.gz KVNZTGVNNVTHCC-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001480741602 1063282734 /nfs/dbraw/zinc/28/27/34/1063282734.db2.gz VUNRBRUWDAMSPD-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508060234 1063527401 /nfs/dbraw/zinc/52/74/01/1063527401.db2.gz ZOZYXSUYAFJVRC-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001493832699 1063981643 /nfs/dbraw/zinc/98/16/43/1063981643.db2.gz YRQUDHKYIQQHAB-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494178398 1064159982 /nfs/dbraw/zinc/15/99/82/1064159982.db2.gz IYFVQPOYDXJICZ-IAGOWNOFSA-N 2 0 307.482 2.073 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567419233 1064192013 /nfs/dbraw/zinc/19/20/13/1064192013.db2.gz KKOKSWDPAPYZLX-SJORKVTESA-N 2 0 309.498 2.347 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001567634825 1064295522 /nfs/dbraw/zinc/29/55/22/1064295522.db2.gz RNKFTTHFVYUOFZ-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]C[C@](C)(NC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001568024543 1064602248 /nfs/dbraw/zinc/60/22/48/1064602248.db2.gz DPOLGHDRWPAABI-IBGZPJMESA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001568067771 1064630290 /nfs/dbraw/zinc/63/02/90/1064630290.db2.gz INFSLAPOVWLQQR-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001568176009 1064684548 /nfs/dbraw/zinc/68/45/48/1064684548.db2.gz PIYXUSQJMLVWOJ-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001568274387 1064745958 /nfs/dbraw/zinc/74/59/58/1064745958.db2.gz UYJUPEMYWOGXHJ-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001495268555 1064797680 /nfs/dbraw/zinc/79/76/80/1064797680.db2.gz UDMPRDUBQVYOES-WMZOPIPTSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568385489 1064827117 /nfs/dbraw/zinc/82/71/17/1064827117.db2.gz GQMFVVITNKNILP-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001568412277 1064850059 /nfs/dbraw/zinc/85/00/59/1064850059.db2.gz QFKXBEPGMVCPCZ-DLBZAZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001495415733 1064892216 /nfs/dbraw/zinc/89/22/16/1064892216.db2.gz OJOBLFSFROPUKK-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001495559825 1064981551 /nfs/dbraw/zinc/98/15/51/1064981551.db2.gz GKOXSWPFJATMER-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001568756703 1065103770 /nfs/dbraw/zinc/10/37/70/1065103770.db2.gz RHQNJNBJYTVXML-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001496313146 1065401850 /nfs/dbraw/zinc/40/18/50/1065401850.db2.gz VYQCCRPSZXZEPU-ZWKOTPCHSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001496338107 1065414796 /nfs/dbraw/zinc/41/47/96/1065414796.db2.gz AWJLRHVWXSQTOH-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386857 1065484971 /nfs/dbraw/zinc/48/49/71/1065484971.db2.gz WZDXBBSGTCDAPE-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001496465598 1065488155 /nfs/dbraw/zinc/48/81/55/1065488155.db2.gz YOVNFKSIXXVUKL-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001569707179 1065681771 /nfs/dbraw/zinc/68/17/71/1065681771.db2.gz OBVBUCYJZADFTB-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001569813835 1065734964 /nfs/dbraw/zinc/73/49/64/1065734964.db2.gz NAYYJPPXBJFTKD-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001569813456 1065735092 /nfs/dbraw/zinc/73/50/92/1065735092.db2.gz HVGMZGPNBPTHOW-JKSUJKDBSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001569859646 1065771141 /nfs/dbraw/zinc/77/11/41/1065771141.db2.gz CULUKQGQHYLLMS-BJWYYQGGSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 1065774136 /nfs/dbraw/zinc/77/41/36/1065774136.db2.gz ICBCZSAJYATVLS-ZJPYXAASSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001569865481 1065777825 /nfs/dbraw/zinc/77/78/25/1065777825.db2.gz ZZUJHVUVJSTWNF-KZNAEPCWSA-N 2 0 321.509 2.108 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001569920551 1065823334 /nfs/dbraw/zinc/82/33/34/1065823334.db2.gz TXERBROJKQRIDF-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001569921680 1065826042 /nfs/dbraw/zinc/82/60/42/1065826042.db2.gz QIQQFKMZUSJNCU-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001570013571 1065881208 /nfs/dbraw/zinc/88/12/08/1065881208.db2.gz NFNJJEUHABUVNE-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001570109198 1065928551 /nfs/dbraw/zinc/92/85/51/1065928551.db2.gz IOEVFILPMADVHJ-UHFFFAOYSA-N 2 0 312.417 2.461 20 30 DEEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570259384 1065993954 /nfs/dbraw/zinc/99/39/54/1065993954.db2.gz SIRXXJQREQIBJE-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001497396292 1066071631 /nfs/dbraw/zinc/07/16/31/1066071631.db2.gz CMSPSKKBNXVDHR-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001570504203 1066098494 /nfs/dbraw/zinc/09/84/94/1066098494.db2.gz DARACVAMCQMHAZ-UHFFFAOYSA-N 2 0 321.509 2.302 20 30 DEEDRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001577524153 1066867195 /nfs/dbraw/zinc/86/71/95/1066867195.db2.gz XDDMNEZBGXHMFL-MRXNPFEDSA-N 2 0 308.470 2.122 20 30 DEEDRP C=CCCCCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001499771310 1067329713 /nfs/dbraw/zinc/32/97/13/1067329713.db2.gz RVCFHNRNXRIOTO-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001499843838 1067357409 /nfs/dbraw/zinc/35/74/09/1067357409.db2.gz JUKCWDDQLFLTMQ-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001496129186 1078520312 /nfs/dbraw/zinc/52/03/12/1078520312.db2.gz PFGZJFOPAFBSDK-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001580049460 1067482242 /nfs/dbraw/zinc/48/22/42/1067482242.db2.gz RQUBIYJXOVLVSC-MRXNPFEDSA-N 2 0 320.481 2.170 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1F ZINC001580075964 1067490578 /nfs/dbraw/zinc/49/05/78/1067490578.db2.gz LZYJJAYWFCOQRM-IRXDYDNUSA-N 2 0 317.408 2.416 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001483618573 1078634268 /nfs/dbraw/zinc/63/42/68/1078634268.db2.gz OYBJFUUEDZMGCP-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001571017373 1068174328 /nfs/dbraw/zinc/17/43/28/1068174328.db2.gz ZBKZLZQLPWPGPS-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001571390575 1068270700 /nfs/dbraw/zinc/27/07/00/1068270700.db2.gz JIUCKHSHGGODHR-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001571397958 1068273501 /nfs/dbraw/zinc/27/35/01/1068273501.db2.gz LBGIAQUKIFFEHY-OAHLLOKOSA-N 2 0 303.450 2.027 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001571526334 1068394402 /nfs/dbraw/zinc/39/44/02/1068394402.db2.gz FGMQYDVOZJZFDR-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001571534895 1068403120 /nfs/dbraw/zinc/40/31/20/1068403120.db2.gz USPYMALPHFPTOM-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001571558071 1068418912 /nfs/dbraw/zinc/41/89/12/1068418912.db2.gz AXPFCRXPDUIPAF-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267273208 1078718988 /nfs/dbraw/zinc/71/89/88/1078718988.db2.gz CLMHTOMOFQPOLC-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571683580 1068478645 /nfs/dbraw/zinc/47/86/45/1068478645.db2.gz KDQRWCYGFSIRBW-DOTOQJQBSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267302959 1078749344 /nfs/dbraw/zinc/74/93/44/1078749344.db2.gz JCRBAVQFPINYKS-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325097 1078765944 /nfs/dbraw/zinc/76/59/44/1078765944.db2.gz CEVFDIMRKWTHSJ-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267328194 1078767769 /nfs/dbraw/zinc/76/77/69/1078767769.db2.gz NEPLWDWWDSPTCB-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001670095602 1081496311 /nfs/dbraw/zinc/49/63/11/1081496311.db2.gz QBSUMRCOMDFFRF-UHFFFAOYSA-N 2 0 315.889 2.442 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](C[NH3+])C2CCCCCC2)CC1 ZINC001574582905 1069240362 /nfs/dbraw/zinc/24/03/62/1069240362.db2.gz BTKZRSDSRRUOTO-GOSISDBHSA-N 2 0 319.493 2.136 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001267470270 1078890460 /nfs/dbraw/zinc/89/04/60/1078890460.db2.gz IPUCIXSMXBBVBE-UHFFFAOYSA-N 2 0 301.862 2.053 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267493325 1078917732 /nfs/dbraw/zinc/91/77/32/1078917732.db2.gz FXLMMAGOGDQNIA-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001267520546 1078951206 /nfs/dbraw/zinc/95/12/06/1078951206.db2.gz MFUFJRFXGCAXGO-MSOLQXFVSA-N 2 0 315.461 2.494 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267550815 1078982782 /nfs/dbraw/zinc/98/27/82/1078982782.db2.gz ZWDCAKQTCSRJIT-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106274720 1078989790 /nfs/dbraw/zinc/98/97/90/1078989790.db2.gz RFDUNTLSIZNTLK-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832222 1079142663 /nfs/dbraw/zinc/14/26/63/1079142663.db2.gz FHPUQTNQMCRMIJ-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001483932845 1079193661 /nfs/dbraw/zinc/19/36/61/1079193661.db2.gz RTPIUCAVFFIJEF-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001329356076 1148887583 /nfs/dbraw/zinc/88/75/83/1148887583.db2.gz HEJVCNITEIYDSB-IRXDYDNUSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484163438 1079337712 /nfs/dbraw/zinc/33/77/12/1079337712.db2.gz JZZHEAVKZOULMA-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001566601056 1075293935 /nfs/dbraw/zinc/29/39/35/1075293935.db2.gz VIFSBCXYYOFHFJ-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267700945 1079388521 /nfs/dbraw/zinc/38/85/21/1079388521.db2.gz KQEIDQBHPWVEHM-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566799206 1075347939 /nfs/dbraw/zinc/34/79/39/1075347939.db2.gz GGQRZUXXFYAKLG-BZUAXINKSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001566927421 1075389500 /nfs/dbraw/zinc/38/95/00/1075389500.db2.gz QJUSVXPRFIIANS-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566966332 1075403056 /nfs/dbraw/zinc/40/30/56/1075403056.db2.gz UFNQJXCYUDWBIB-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001484568287 1079665422 /nfs/dbraw/zinc/66/54/22/1079665422.db2.gz HMOUEZPFQOZQFP-KZNAEPCWSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001481358562 1079753752 /nfs/dbraw/zinc/75/37/52/1079753752.db2.gz VHQYSHGEMMEPHH-QGZVFWFLSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001481487530 1079944789 /nfs/dbraw/zinc/94/47/89/1079944789.db2.gz DQQQLEUQGGGOJE-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496025 1079953666 /nfs/dbraw/zinc/95/36/66/1079953666.db2.gz QWWMCMDVSDZXBF-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001485085787 1079965164 /nfs/dbraw/zinc/96/51/64/1079965164.db2.gz XEHUWTHJSQIBKO-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP 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 1080039479 /nfs/dbraw/zinc/03/94/79/1080039479.db2.gz FVNSMNBMIZZDFQ-PBHICJAKSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001656210129 1080065721 /nfs/dbraw/zinc/06/57/21/1080065721.db2.gz LBTXXIXYAGCPKE-ULQDDVLXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268107250 1080077772 /nfs/dbraw/zinc/07/77/72/1080077772.db2.gz ZUZQXIUVRKJRDA-IRXDYDNUSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001268201396 1080188280 /nfs/dbraw/zinc/18/82/80/1080188280.db2.gz LPBQVAWHBIQLPI-QGZVFWFLSA-N 2 0 309.498 2.319 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485743487 1080403498 /nfs/dbraw/zinc/40/34/98/1080403498.db2.gz FEDGUASIGJAPDP-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485810146 1080450350 /nfs/dbraw/zinc/45/03/50/1080450350.db2.gz CIXJRTMTXZKTGM-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268450670 1080479931 /nfs/dbraw/zinc/47/99/31/1080479931.db2.gz PISBCOZJQKZYPB-UHFFFAOYSA-N 2 0 315.889 2.442 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001661782945 1080523052 /nfs/dbraw/zinc/52/30/52/1080523052.db2.gz KCMBAFLNJBFCIN-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001661793192 1080523944 /nfs/dbraw/zinc/52/39/44/1080523944.db2.gz NZDYDSMBVFGDQH-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001662219146 1080585788 /nfs/dbraw/zinc/58/57/88/1080585788.db2.gz CADUXNOVERIFPI-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001482027922 1080703086 /nfs/dbraw/zinc/70/30/86/1080703086.db2.gz UMKVLBKCKGKKNN-BZSNNMDCSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001664462340 1080912405 /nfs/dbraw/zinc/91/24/05/1080912405.db2.gz FXHBMCZOTCKBIQ-DOTOQJQBSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001664467143 1080913574 /nfs/dbraw/zinc/91/35/74/1080913574.db2.gz FUCLLZWURDFWRG-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001664597671 1080930706 /nfs/dbraw/zinc/93/07/06/1080930706.db2.gz BZCIAWKTJNCHQP-QZTJIDSGSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001664726156 1080949528 /nfs/dbraw/zinc/94/95/28/1080949528.db2.gz FQVIMLADAKZJGK-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001664807008 1080963623 /nfs/dbraw/zinc/96/36/23/1080963623.db2.gz PKEKPOLHHFNCBO-SJLPKXTDSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001664825153 1080967580 /nfs/dbraw/zinc/96/75/80/1080967580.db2.gz VXAKNVGDCLHAAD-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001665871363 1081091704 /nfs/dbraw/zinc/09/17/04/1081091704.db2.gz HHCDZCKMTZUHSN-ROUUACIJSA-N 2 0 315.461 2.187 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001666219101 1081134076 /nfs/dbraw/zinc/13/40/76/1081134076.db2.gz MEPZCDNPVKSTRV-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001666256062 1081137169 /nfs/dbraw/zinc/13/71/69/1081137169.db2.gz AJCHQDMGUACZNT-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001666374646 1081148724 /nfs/dbraw/zinc/14/87/24/1081148724.db2.gz HQFWBEOSLCBGBZ-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001667472490 1081255223 /nfs/dbraw/zinc/25/52/23/1081255223.db2.gz ARJBLZSBEWPUGN-DLBZAZTESA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001269552853 1081286636 /nfs/dbraw/zinc/28/66/36/1081286636.db2.gz JLCLGWJGXMQVLX-KRWDZBQOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001269558109 1081290732 /nfs/dbraw/zinc/29/07/32/1081290732.db2.gz WOUPMFNMWKWWHD-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001284553238 1081294482 /nfs/dbraw/zinc/29/44/82/1081294482.db2.gz GFHYQMPUACBCCN-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001284600053 1081340043 /nfs/dbraw/zinc/34/00/43/1081340043.db2.gz YJFYSJRBERPMSK-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001269737806 1081351020 /nfs/dbraw/zinc/35/10/20/1081351020.db2.gz UUCVJZWBMIOJFW-IEBWSBKVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)C ZINC001668652975 1081376994 /nfs/dbraw/zinc/37/69/94/1081376994.db2.gz YFAMIXDIEXGVDS-QGZVFWFLSA-N 2 0 303.450 2.304 20 30 DEEDRP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883877 1081406819 /nfs/dbraw/zinc/40/68/19/1081406819.db2.gz VARPHMZPJHRGNS-NGHLMZTLSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001270087667 1081447424 /nfs/dbraw/zinc/44/74/24/1081447424.db2.gz CZDPKCXQRNKMEN-HZPDHXFCSA-N 2 0 315.461 2.451 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000951379701 1081510241 /nfs/dbraw/zinc/51/02/41/1081510241.db2.gz CFQMBJRNYVGINS-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001671842849 1081542713 /nfs/dbraw/zinc/54/27/13/1081542713.db2.gz PNXHOBJHCIAZCR-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001671842177 1081542910 /nfs/dbraw/zinc/54/29/10/1081542910.db2.gz FQOZPGLGLDOFRU-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001672568093 1081612645 /nfs/dbraw/zinc/61/26/45/1081612645.db2.gz WGWJQTOJJHFQMH-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP CCNC(NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)=[NH+]CC ZINC000718001544 1081862926 /nfs/dbraw/zinc/86/29/26/1081862926.db2.gz QNGOBENOLQRSLV-KRWDZBQOSA-N 2 0 302.466 2.472 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674499219 1081884048 /nfs/dbraw/zinc/88/40/48/1081884048.db2.gz FOICPXIKRUGCHC-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001674542591 1081888323 /nfs/dbraw/zinc/88/83/23/1081888323.db2.gz XKKXKKYXFVUCNU-JCYILVPMSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001482462753 1081925036 /nfs/dbraw/zinc/92/50/36/1081925036.db2.gz OTLKJAPNSJKIJM-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001271318863 1082011531 /nfs/dbraw/zinc/01/15/31/1082011531.db2.gz XXDFCNAQNOWQDW-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH+]1CCC(N(CCC)C(=O)CC[N@H+](C)CCC)CC1 ZINC001266393410 1082015897 /nfs/dbraw/zinc/01/58/97/1082015897.db2.gz VYXODASNQIZGOA-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC/C=C\CC ZINC001266468384 1082056213 /nfs/dbraw/zinc/05/62/13/1082056213.db2.gz PDTSCSMJSZLBBO-WIJVFFIESA-N 2 0 317.477 2.021 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001670526943 1082166564 /nfs/dbraw/zinc/16/65/64/1082166564.db2.gz AHUSWJVJTATATK-KRWDZBQOSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482680485 1082471429 /nfs/dbraw/zinc/47/14/29/1082471429.db2.gz AGZUSRADZBCLNS-YJBOKZPZSA-N 2 0 324.428 2.154 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482680981 1082473275 /nfs/dbraw/zinc/47/32/75/1082473275.db2.gz GGDCHZMBMXGARP-YOEHRIQHSA-N 2 0 312.417 2.317 20 30 DEEDRP C=CCCCC[NH+]1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276885328 1083663866 /nfs/dbraw/zinc/66/38/66/1083663866.db2.gz HUODSPDBTLBMFK-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCCC[NH2+]C12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001276887792 1083664896 /nfs/dbraw/zinc/66/48/96/1083664896.db2.gz OMCBMKADLNNHLN-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001276886415 1083666233 /nfs/dbraw/zinc/66/62/33/1083666233.db2.gz IMMMRCRTWNNYFC-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001277383006 1083935155 /nfs/dbraw/zinc/93/51/55/1083935155.db2.gz WBXVYOHUQXZMDM-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001491030799 1084019646 /nfs/dbraw/zinc/01/96/46/1084019646.db2.gz ADLROCNQLOKGLQ-GASCZTMLSA-N 2 0 312.417 2.459 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001491068821 1084046305 /nfs/dbraw/zinc/04/63/05/1084046305.db2.gz BWQFBQVEEPOMQQ-WCXIOVBPSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001491192098 1084139649 /nfs/dbraw/zinc/13/96/49/1084139649.db2.gz ZFBFSSSBZUISQY-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001491296699 1084216863 /nfs/dbraw/zinc/21/68/63/1084216863.db2.gz OOGQGMHTYUWCHR-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235511803 1084451861 /nfs/dbraw/zinc/45/18/61/1084451861.db2.gz HABIOQMGSMSZOJ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235631528 1084481083 /nfs/dbraw/zinc/48/10/83/1084481083.db2.gz AGROFNTXAXWEKS-SJORKVTESA-N 2 0 316.449 2.026 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001486160009 1085099192 /nfs/dbraw/zinc/09/91/92/1085099192.db2.gz FDXRXFLRGMWKNT-YESZJQIVSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000965933070 1085700915 /nfs/dbraw/zinc/70/09/15/1085700915.db2.gz LMIAWDSWCQPADF-RSOWUBFDSA-N 2 0 305.466 2.062 20 30 DEEDRP C=CC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001493211122 1085894683 /nfs/dbraw/zinc/89/46/83/1085894683.db2.gz GMENGSQKIJJASL-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273101168 1086175918 /nfs/dbraw/zinc/17/59/18/1086175918.db2.gz OIHYJGRPJRAOJV-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001273105581 1086200287 /nfs/dbraw/zinc/20/02/87/1086200287.db2.gz DEZOPFYEEMTEMF-CVEARBPZSA-N 2 0 305.466 2.208 20 30 DEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001273146436 1086998625 /nfs/dbraw/zinc/99/86/25/1086998625.db2.gz MBEUKOJTVZGJCE-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568280 1088417810 /nfs/dbraw/zinc/41/78/10/1088417810.db2.gz GSWKMTFQXMREGU-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957606040 1088453267 /nfs/dbraw/zinc/45/32/67/1088453267.db2.gz WWFOGRABQJFSJZ-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001080754543 1089173010 /nfs/dbraw/zinc/17/30/10/1089173010.db2.gz PBPCDOFGLVAPLD-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701502 1090402326 /nfs/dbraw/zinc/40/23/26/1090402326.db2.gz GXRXJHOTTVJKBP-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085075320 1090630401 /nfs/dbraw/zinc/63/04/01/1090630401.db2.gz ZXZGVNSHVJAYIQ-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001274228071 1091132176 /nfs/dbraw/zinc/13/21/76/1091132176.db2.gz FGLIGMZCDKNOLL-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001275183582 1091604768 /nfs/dbraw/zinc/60/47/68/1091604768.db2.gz GTSJKYCLQDRNPU-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001671075731 1091731441 /nfs/dbraw/zinc/73/14/41/1091731441.db2.gz WXCQDALDPJKFAQ-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001276261443 1091752637 /nfs/dbraw/zinc/75/26/37/1091752637.db2.gz GYKJZEQQYURNNF-YESZJQIVSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948716801 1091898470 /nfs/dbraw/zinc/89/84/70/1091898470.db2.gz FRJGSVNYHUOFGX-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948769764 1091925887 /nfs/dbraw/zinc/92/58/87/1091925887.db2.gz DMZWHDCADJQHGJ-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001275888151 1092273777 /nfs/dbraw/zinc/27/37/77/1092273777.db2.gz VBNFMMWWMREQEU-MRXNPFEDSA-N 2 0 317.477 2.417 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C(C)C ZINC001691736310 1138252758 /nfs/dbraw/zinc/25/27/58/1138252758.db2.gz PIXWTMCZKJBQQG-UHFFFAOYSA-N 2 0 321.509 2.489 20 30 DEEDRP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277997150 1138393424 /nfs/dbraw/zinc/39/34/24/1138393424.db2.gz ISCBXUJPSKMHRJ-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001278004973 1138405830 /nfs/dbraw/zinc/40/58/30/1138405830.db2.gz ICUVVTHZDUJOPC-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001278250157 1138857517 /nfs/dbraw/zinc/85/75/17/1138857517.db2.gz IPOFDFXDYKCVAT-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001278276896 1138872329 /nfs/dbraw/zinc/87/23/29/1138872329.db2.gz ZCJBWZQUIQPPFL-WMZOPIPTSA-N 2 0 319.493 2.149 20 30 DEEDRP CCCCCCCCCCNC(=S)N(CC[NH3+])CC[NH3+] ZINC001239439782 1139046722 /nfs/dbraw/zinc/04/67/22/1139046722.db2.gz XPFJZSZCGSGFIB-UHFFFAOYSA-N 2 0 302.532 2.221 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001318655624 1140381049 /nfs/dbraw/zinc/38/10/49/1140381049.db2.gz HCEWRGRKXOHLNY-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001318782881 1140415314 /nfs/dbraw/zinc/41/53/14/1140415314.db2.gz ZHNXSWIJHZSIKA-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001319375283 1140558481 /nfs/dbraw/zinc/55/84/81/1140558481.db2.gz USMKSGXLWZKYAS-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001319378884 1140559982 /nfs/dbraw/zinc/55/99/82/1140559982.db2.gz IHYHODDIXCYPGT-IAGOWNOFSA-N 2 0 317.477 2.045 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001319620389 1140627002 /nfs/dbraw/zinc/62/70/02/1140627002.db2.gz QEZHMUUOIOWBQS-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001319658798 1140645664 /nfs/dbraw/zinc/64/56/64/1140645664.db2.gz BADWTOJVUFVLLP-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319860962 1140772556 /nfs/dbraw/zinc/77/25/56/1140772556.db2.gz KBRSUGVAWYERHL-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245978146 1140840737 /nfs/dbraw/zinc/84/07/37/1140840737.db2.gz JDZMXYAKFIFWOZ-XWTMOSNGSA-N 2 0 312.498 2.455 20 30 DEEDRP C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245981425 1140841502 /nfs/dbraw/zinc/84/15/02/1140841502.db2.gz BFEKOLIDXPPJLU-QZTJIDSGSA-N 2 0 323.525 2.338 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001278461217 1141031314 /nfs/dbraw/zinc/03/13/14/1141031314.db2.gz VJTPDGCGUXHCIR-BQFCYCMXSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246730680 1141045469 /nfs/dbraw/zinc/04/54/69/1141045469.db2.gz AEHLSSKYPSUMFG-BQFCYCMXSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001278496205 1141650665 /nfs/dbraw/zinc/65/06/65/1141650665.db2.gz YNFIHHUURUMKGU-YESZJQIVSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323637670 1141872789 /nfs/dbraw/zinc/87/27/89/1141872789.db2.gz MGQPDAUNRWXKLY-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640251 1141873153 /nfs/dbraw/zinc/87/31/53/1141873153.db2.gz CQITWIQAXYCBBR-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001323858750 1141893481 /nfs/dbraw/zinc/89/34/81/1141893481.db2.gz QZVSNHUZVUXFGZ-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001324420052 1142074660 /nfs/dbraw/zinc/07/46/60/1142074660.db2.gz JVWFQDIRAHGWSM-UHFFFAOYSA-N 2 0 321.509 2.301 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001324470898 1142083361 /nfs/dbraw/zinc/08/33/61/1142083361.db2.gz TXWAOXADEZVQBL-QZTJIDSGSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001278639864 1142567132 /nfs/dbraw/zinc/56/71/32/1142567132.db2.gz MYTYNQWBVQXOLB-CVEARBPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278667876 1142725537 /nfs/dbraw/zinc/72/55/37/1142725537.db2.gz JRWUGROFCBADTP-GOSISDBHSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[C@H](O)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001252589566 1142773399 /nfs/dbraw/zinc/77/33/99/1142773399.db2.gz NHBPDHWTWJERDA-SFHVURJKSA-N 2 0 310.482 2.138 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]CC12CCCC2)C(C)C ZINC001339768243 1143095866 /nfs/dbraw/zinc/09/58/66/1143095866.db2.gz NXUUHOQTOYOPNQ-SJORKVTESA-N 2 0 319.493 2.333 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC001341664713 1143655051 /nfs/dbraw/zinc/65/50/51/1143655051.db2.gz DMCPEWOWMCFTSR-CVEARBPZSA-N 2 0 321.852 2.497 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257684544 1143949603 /nfs/dbraw/zinc/94/96/03/1143949603.db2.gz UZRXBEVBELFXKQ-KRWDZBQOSA-N 2 0 309.523 2.174 20 30 DEEDRP C=C1C[C@@H]2CC([NH2+]C[C@H]3O[C@H](C(C)C)O[C@@H]3C[NH3+])C[C@H](C1)C2 ZINC001257888139 1143957979 /nfs/dbraw/zinc/95/79/79/1143957979.db2.gz YOCMUNWGOKSUDO-CYLNWZRHSA-N 2 0 308.466 2.436 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001263936659 1144426693 /nfs/dbraw/zinc/42/66/93/1144426693.db2.gz JAVBSJPEQNFEFM-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001264408552 1144531357 /nfs/dbraw/zinc/53/13/57/1144531357.db2.gz LNKUVSGCRQBEAX-NXOAAHMSSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001265091936 1144641530 /nfs/dbraw/zinc/64/15/30/1144641530.db2.gz MBXBDMIHBZLIAX-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265394997 1144701792 /nfs/dbraw/zinc/70/17/92/1144701792.db2.gz MWBCSRXENUWOKA-DLBZAZTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265395223 1144701871 /nfs/dbraw/zinc/70/18/71/1144701871.db2.gz RIJCMWOYDDYNCY-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523913 1144708784 /nfs/dbraw/zinc/70/87/84/1144708784.db2.gz QVRUGVJZAYKHGJ-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001265697169 1144729981 /nfs/dbraw/zinc/72/99/81/1144729981.db2.gz PCXOSJLRGMCJGI-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265982596 1144776524 /nfs/dbraw/zinc/77/65/24/1144776524.db2.gz IAHXRMHAILNFNI-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)C2 ZINC001279236734 1144819670 /nfs/dbraw/zinc/81/96/70/1144819670.db2.gz LUTFYQWUSCPCEX-BJWYYQGGSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001279589767 1144825156 /nfs/dbraw/zinc/82/51/56/1144825156.db2.gz ZMLOBEWOKXXUMK-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001280761696 1144853898 /nfs/dbraw/zinc/85/38/98/1144853898.db2.gz ZNQUQILJJVCSDU-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001282065919 1144946163 /nfs/dbraw/zinc/94/61/63/1144946163.db2.gz RQASYOISQPSJAX-KLAILNCOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001282161065 1145002984 /nfs/dbraw/zinc/00/29/84/1145002984.db2.gz ODFFHIKEPGZTJA-STQMWFEESA-N 2 0 300.406 2.315 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001282742073 1145157248 /nfs/dbraw/zinc/15/72/48/1145157248.db2.gz SMBWVKYBPMVZJM-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001283442596 1145424372 /nfs/dbraw/zinc/42/43/72/1145424372.db2.gz XNWZWUIARJCJIT-SJORKVTESA-N 2 0 307.482 2.003 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001284058070 1145778521 /nfs/dbraw/zinc/77/85/21/1145778521.db2.gz PDJQKCGFMZIZMA-XYJFISCASA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001284057612 1145779075 /nfs/dbraw/zinc/77/90/75/1145779075.db2.gz NHBZKSZNLOTZIQ-SJLPKXTDSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001284098029 1145797275 /nfs/dbraw/zinc/79/72/75/1145797275.db2.gz WMTGSMNZJOMXIH-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001284104935 1145799981 /nfs/dbraw/zinc/79/99/81/1145799981.db2.gz ZXIRSEKEZLFZOL-GVDBMIGSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001284604535 1145877949 /nfs/dbraw/zinc/87/79/49/1145877949.db2.gz QNRJHMYKMRTOGP-HOTGVXAUSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365924970 1146913112 /nfs/dbraw/zinc/91/31/12/1146913112.db2.gz MZRVYCBSMRXDQE-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316880393 1147620098 /nfs/dbraw/zinc/62/00/98/1147620098.db2.gz OWATYMLBFJPSQL-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001316925506 1147632904 /nfs/dbraw/zinc/63/29/04/1147632904.db2.gz RPJGIEBGAIIOSP-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316999204 1147646795 /nfs/dbraw/zinc/64/67/95/1147646795.db2.gz SZMSZZCSWRTVDX-HNNXBMFYSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317037293 1147651269 /nfs/dbraw/zinc/65/12/69/1147651269.db2.gz PTDREBMXYZXXIX-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317149494 1147666947 /nfs/dbraw/zinc/66/69/47/1147666947.db2.gz IYOUIPVOUKUZJU-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001317172381 1147670402 /nfs/dbraw/zinc/67/04/02/1147670402.db2.gz IUSBPAYOYGZEAS-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317342102 1147693423 /nfs/dbraw/zinc/69/34/23/1147693423.db2.gz FNXDNSGRYVBVDC-SJLPKXTDSA-N 2 0 315.461 2.304 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317373927 1147698009 /nfs/dbraw/zinc/69/80/09/1147698009.db2.gz AQLSNBQMZXAAJY-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317721016 1147747181 /nfs/dbraw/zinc/74/71/81/1147747181.db2.gz QTGDFYUUHUWOQC-ROUUACIJSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001325576078 1147953723 /nfs/dbraw/zinc/95/37/23/1147953723.db2.gz NYPMRKMGZXKJME-YJBOKZPZSA-N 2 0 315.461 2.232 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001325771948 1147997670 /nfs/dbraw/zinc/99/76/70/1147997670.db2.gz GJYYKXHAGQXCGQ-CALCHBBNSA-N 2 0 307.482 2.075 20 30 DEEDRP C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C1=CC[N@H+](C)CC1 ZINC001325880729 1148013003 /nfs/dbraw/zinc/01/30/03/1148013003.db2.gz SYXWKFTUTVPWBJ-AWEZNQCLSA-N 2 0 312.417 2.127 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001326526101 1148131271 /nfs/dbraw/zinc/13/12/71/1148131271.db2.gz ZXIMROKUOBUACX-XSLAGTTESA-N 2 0 319.493 2.454 20 30 DEEDRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278639329 214295728 /nfs/dbraw/zinc/29/57/28/214295728.db2.gz HKHHXJIJMQKKKR-YJBOKZPZSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000181467662 199301437 /nfs/dbraw/zinc/30/14/37/199301437.db2.gz YHJBMTWAYSGLMT-OAHLLOKOSA-N 2 0 300.450 2.235 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237913144 539750821 /nfs/dbraw/zinc/75/08/21/539750821.db2.gz OZWSIYDYUGOLRV-QGZVFWFLSA-N 2 0 301.434 2.233 20 30 DEEDRP C[N@@H+]1CCC[C@@H]1CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592997360 357982990 /nfs/dbraw/zinc/98/29/90/357982990.db2.gz MCDUPNYKNXSYIS-LJQANCHMSA-N 2 0 312.461 2.160 20 30 DEEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323579 358054631 /nfs/dbraw/zinc/05/46/31/358054631.db2.gz QHIUJTQYVHAEOK-LSDHHAIUSA-N 2 0 300.450 2.238 20 30 DEEDRP C[C@H]1C[C@H](C[NH+]2CCN(c3ccsc3C#N)CC2)CC[NH2+]1 ZINC000594735713 358328756 /nfs/dbraw/zinc/32/87/56/358328756.db2.gz NKNHOODBZYYPMF-UONOGXRCSA-N 2 0 304.463 2.130 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000262436149 203293571 /nfs/dbraw/zinc/29/35/71/203293571.db2.gz SHABTJIPSAPBFI-ULQDDVLXSA-N 2 0 307.482 2.189 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000458318312 248260640 /nfs/dbraw/zinc/26/06/40/248260640.db2.gz JFQRJYSDBPDVSM-INIZCTEOSA-N 2 0 322.497 2.153 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458327999 248262319 /nfs/dbraw/zinc/26/23/19/248262319.db2.gz WTPOPZWHDBWNMA-UHFFFAOYSA-N 2 0 324.513 2.447 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000289507050 285250830 /nfs/dbraw/zinc/25/08/30/285250830.db2.gz UGBABXRPWIDXST-OAHLLOKOSA-N 2 0 320.506 2.468 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000376557615 133300652 /nfs/dbraw/zinc/30/06/52/133300652.db2.gz KJJKRJAPHURTIN-QZTJIDSGSA-N 2 0 309.369 2.140 20 30 DEEDRP CN(C)C(=[NH+]CC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000104180825 402199638 /nfs/dbraw/zinc/19/96/38/402199638.db2.gz LYQLBCFTIOPMDD-UHFFFAOYSA-N 2 0 308.495 2.439 20 30 DEEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000176864335 402344320 /nfs/dbraw/zinc/34/43/20/402344320.db2.gz RPMGQIONBVICRB-CQSZACIVSA-N 2 0 319.424 2.222 20 30 DEEDRP C[NH+](C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160591783 402353213 /nfs/dbraw/zinc/35/32/13/402353213.db2.gz MBGATRTZZCHILW-UHFFFAOYSA-N 2 0 304.316 2.264 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC1CC[NH2+]CC1)C(C)C ZINC000236679007 402373263 /nfs/dbraw/zinc/37/32/63/402373263.db2.gz NASMTGBTUKTDOF-QGZVFWFLSA-N 2 0 307.482 2.191 20 30 DEEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922697 402719606 /nfs/dbraw/zinc/71/96/06/402719606.db2.gz PLJYPSFRHACORN-INIZCTEOSA-N 2 0 314.433 2.160 20 30 DEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269420873 403137988 /nfs/dbraw/zinc/13/79/88/403137988.db2.gz LXSWUJICYMWDLR-OAHLLOKOSA-N 2 0 318.440 2.061 20 30 DEEDRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282421530 403152310 /nfs/dbraw/zinc/15/23/10/403152310.db2.gz SQJZPGJMAZOUEW-OAHLLOKOSA-N 2 0 300.450 2.235 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CSC)cc1 ZINC000285171497 403278861 /nfs/dbraw/zinc/27/88/61/403278861.db2.gz TZTBJDPIADINTG-INIZCTEOSA-N 2 0 320.506 2.438 20 30 DEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000348300745 404058444 /nfs/dbraw/zinc/05/84/44/404058444.db2.gz CKAOIURXYSTLGF-DLBZAZTESA-N 2 0 322.497 2.239 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358794907 404775876 /nfs/dbraw/zinc/77/58/76/404775876.db2.gz IZTYEHGQGOBCMA-JKSUJKDBSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358798293 404775932 /nfs/dbraw/zinc/77/59/32/404775932.db2.gz ZTKGTUUCCSFHFD-MRXNPFEDSA-N 2 0 322.497 2.201 20 30 DEEDRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360881688 404843809 /nfs/dbraw/zinc/84/38/09/404843809.db2.gz AEPSYHYGNARTFA-GOSISDBHSA-N 2 0 301.434 2.494 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000417059882 405023042 /nfs/dbraw/zinc/02/30/42/405023042.db2.gz IXWMQLVAMBWAQW-IXDOHACOSA-N 2 0 322.497 2.064 20 30 DEEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262557900 225277254 /nfs/dbraw/zinc/27/72/54/225277254.db2.gz VLDWCEYJDHYOSD-HOCLYGCPSA-N 2 0 316.449 2.146 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001328265898 1148759418 /nfs/dbraw/zinc/75/94/18/1148759418.db2.gz FGELPTQUAYEKCY-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[C@@]1(C(=O)NCc2cccc(C[NH+](C)C)c2)CCC[NH2+]1 ZINC000662674295 425709218 /nfs/dbraw/zinc/70/92/18/425709218.db2.gz ZTNMMWGHIZKNAL-SFHVURJKSA-N 2 0 301.434 2.063 20 30 DEEDRP C=CC[C@]1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662680850 425710696 /nfs/dbraw/zinc/71/06/96/425710696.db2.gz MFOXLTUHICKJGP-GOSISDBHSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[C@@]1(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CCC[NH2+]1 ZINC000662691953 425714855 /nfs/dbraw/zinc/71/48/55/425714855.db2.gz BIPFNVBTCCSYBY-IBGZPJMESA-N 2 0 315.461 2.453 20 30 DEEDRP C#Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377621126 275387204 /nfs/dbraw/zinc/38/72/04/275387204.db2.gz AWLGKHTVHPJKMR-FQEVSTJZSA-N 2 0 311.473 2.268 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088951914 782072204 /nfs/dbraw/zinc/07/22/04/782072204.db2.gz OAVQGESKJCCXNY-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000583360689 332352956 /nfs/dbraw/zinc/35/29/56/332352956.db2.gz DKMMMIKSVONKTM-MNEFBYGVSA-N 2 0 313.445 2.425 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000177872791 337160941 /nfs/dbraw/zinc/16/09/41/337160941.db2.gz YBMYOPIPJPBRQN-INIZCTEOSA-N 2 0 322.497 2.010 20 30 DEEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423156307 337702049 /nfs/dbraw/zinc/70/20/49/337702049.db2.gz RZQIPECNKIBPRZ-CBZIJGRNSA-N 2 0 300.402 2.175 20 30 DEEDRP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001329765322 1148990626 /nfs/dbraw/zinc/99/06/26/1148990626.db2.gz NIMSPWQKYDEDEL-MSOLQXFVSA-N 2 0 321.509 2.203 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001378512846 1152357347 /nfs/dbraw/zinc/35/73/47/1152357347.db2.gz QNLIWGXXQBBAIP-CQSZACIVSA-N 2 0 313.873 2.194 20 30 DEEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955175 1149023686 /nfs/dbraw/zinc/02/36/86/1149023686.db2.gz ZGKCHODTACIKPP-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089059527 782141915 /nfs/dbraw/zinc/14/19/15/782141915.db2.gz PNXISPOTMUKELM-QLFBSQMISA-N 2 0 313.873 2.192 20 30 DEEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330245867 1149080087 /nfs/dbraw/zinc/08/00/87/1149080087.db2.gz YKIGQRIKKSGJCA-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCS[C@H](C(C)C)C1 ZINC000261703271 526360762 /nfs/dbraw/zinc/36/07/62/526360762.db2.gz GLCHWBKXJRQUHV-ZDUSSCGKSA-N 2 0 300.516 2.023 20 30 DEEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N(C)Cc1cccn1C ZINC000262000706 526375118 /nfs/dbraw/zinc/37/51/18/526375118.db2.gz UIPUEFVASMKJPG-CVEARBPZSA-N 2 0 319.497 2.295 20 30 DEEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N1CC[C@@H](COC)C1 ZINC000262463243 526378906 /nfs/dbraw/zinc/37/89/06/526378906.db2.gz NCCVESZJFANYGO-JZXOWHBKSA-N 2 0 324.513 2.041 20 30 DEEDRP C[NH+]=C(NCc1cnc(C)s1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262425602 526388845 /nfs/dbraw/zinc/38/88/45/526388845.db2.gz CJMNNANLUVZERW-AWEZNQCLSA-N 2 0 321.494 2.087 20 30 DEEDRP C[NH+]=C(NCc1sccc1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261947047 526393836 /nfs/dbraw/zinc/39/38/36/526393836.db2.gz GFNROBDVXVZFHH-OCCSQVGLSA-N 2 0 306.479 2.204 20 30 DEEDRP CC(C)CNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000170910613 527955431 /nfs/dbraw/zinc/95/54/31/527955431.db2.gz DBOKUOGHELPJOJ-UHFFFAOYSA-N 2 0 302.466 2.459 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000349078971 535595486 /nfs/dbraw/zinc/59/54/86/535595486.db2.gz ROGFGIJDAYQAKB-INIZCTEOSA-N 2 0 320.506 2.468 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489414 625293470 /nfs/dbraw/zinc/29/34/70/625293470.db2.gz BPAAWLXHZHQKEF-HNNXBMFYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525724 625501642 /nfs/dbraw/zinc/50/16/42/625501642.db2.gz RLOZHOMZTPLFCS-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648415 622864150 /nfs/dbraw/zinc/86/41/50/622864150.db2.gz JNEGXPMHUMRZTF-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833089 622942196 /nfs/dbraw/zinc/94/21/96/622942196.db2.gz LPNGSHFCIHHWDU-CRAIPNDOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970025906 623066496 /nfs/dbraw/zinc/06/64/96/623066496.db2.gz ALNHCBUOAMLDTR-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719259 623639993 /nfs/dbraw/zinc/63/99/93/623639993.db2.gz PGTXXMUDXQKVBJ-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])NC(C)C ZINC000104165889 624782637 /nfs/dbraw/zinc/78/26/37/624782637.db2.gz YRTULFYWYWBZAX-UHFFFAOYSA-N 2 0 306.454 2.220 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001024479227 625804910 /nfs/dbraw/zinc/80/49/10/625804910.db2.gz CPQCXLKZMQZMAQ-CVEARBPZSA-N 2 0 316.449 2.307 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001024513903 625830593 /nfs/dbraw/zinc/83/05/93/625830593.db2.gz ULMXRHZWULUEIO-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024613955 625931185 /nfs/dbraw/zinc/93/11/85/625931185.db2.gz DVBXVRFCADQDSP-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001024647144 625948873 /nfs/dbraw/zinc/94/88/73/625948873.db2.gz JQMJFYLZHOVQTB-CABCVRRESA-N 2 0 316.449 2.376 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999169875 634505725 /nfs/dbraw/zinc/50/57/25/634505725.db2.gz WKMWLSOZGNDFJT-UHFFFAOYSA-N 2 0 315.461 2.169 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001000150518 634770445 /nfs/dbraw/zinc/77/04/45/634770445.db2.gz RFHVJJJKVSPSCQ-QGZVFWFLSA-N 2 0 319.493 2.406 20 30 DEEDRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000925845830 635929219 /nfs/dbraw/zinc/92/92/19/635929219.db2.gz RMFWVZGCKLLYAX-INIZCTEOSA-N 2 0 300.450 2.284 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045651 633396736 /nfs/dbraw/zinc/39/67/36/633396736.db2.gz BNQGYHFZURQXMY-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997119458 633601389 /nfs/dbraw/zinc/60/13/89/633601389.db2.gz JVICNZDOFFRHHE-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027408963 633748208 /nfs/dbraw/zinc/74/82/08/633748208.db2.gz APZNHJZEIDPWPK-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997596840 633892448 /nfs/dbraw/zinc/89/24/48/633892448.db2.gz PESCRCRBGLXEOP-ZMSDIMECSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997659552 633914543 /nfs/dbraw/zinc/91/45/43/633914543.db2.gz NWIXECUSIWEQGE-AWEZNQCLSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998110699 634142882 /nfs/dbraw/zinc/14/28/82/634142882.db2.gz OCXZWCPPTKVIRW-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577060 634180919 /nfs/dbraw/zinc/18/09/19/634180919.db2.gz CLYHSVHPZLJNFV-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980189468 634885537 /nfs/dbraw/zinc/88/55/37/634885537.db2.gz WVSLRGGTQBJKCL-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244782 634909700 /nfs/dbraw/zinc/90/97/00/634909700.db2.gz YXRBJMDHFWPJDC-BZSNNMDCSA-N 2 0 319.493 2.265 20 30 DEEDRP CSc1ccc(C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)cc1C#N ZINC000925771971 634957469 /nfs/dbraw/zinc/95/74/69/634957469.db2.gz FTYMOALMJWHBKD-IUGPZWINSA-N 2 0 317.458 2.122 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027929286 634991475 /nfs/dbraw/zinc/99/14/75/634991475.db2.gz DCOXINGHTQFHJA-JKSUJKDBSA-N 2 0 316.449 2.307 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001000467567 635195608 /nfs/dbraw/zinc/19/56/08/635195608.db2.gz RILXYVCWENIMCK-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001070731 635397562 /nfs/dbraw/zinc/39/75/62/635397562.db2.gz TYTSLPKTHLYYRB-GOSISDBHSA-N 2 0 319.493 2.433 20 30 DEEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001230698 635432560 /nfs/dbraw/zinc/43/25/60/635432560.db2.gz WGYNSAHLFSJPLY-SFHVURJKSA-N 2 0 317.477 2.021 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000981438051 635483317 /nfs/dbraw/zinc/48/33/17/635483317.db2.gz JELNZJSOWYGHIK-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000981461106 635490849 /nfs/dbraw/zinc/49/08/49/635490849.db2.gz ANKGAAZFRBDHML-HUUCEWRRSA-N 2 0 316.449 2.354 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001002157600 635629135 /nfs/dbraw/zinc/62/91/35/635629135.db2.gz KOVSGEYEEHCBLA-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981806300 635663835 /nfs/dbraw/zinc/66/38/35/635663835.db2.gz PJTQJFHZRJMVQN-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181643 635783098 /nfs/dbraw/zinc/78/30/98/635783098.db2.gz XGEXCWUPSQUHCQ-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116068 635874926 /nfs/dbraw/zinc/87/49/26/635874926.db2.gz FHRGCOPTJDLWSJ-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001003137329 635916097 /nfs/dbraw/zinc/91/60/97/635916097.db2.gz ZYHQGBNCKDWMPF-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235391 635936799 /nfs/dbraw/zinc/93/67/99/635936799.db2.gz WLWMTHKJAGIUNW-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296119 635953449 /nfs/dbraw/zinc/95/34/49/635953449.db2.gz JXSWVWFAXYFHCP-YTQUADARSA-N 2 0 319.493 2.073 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028253774 635964541 /nfs/dbraw/zinc/96/45/41/635964541.db2.gz GQELXILDLQMQRW-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000922273680 636055530 /nfs/dbraw/zinc/05/55/30/636055530.db2.gz IUQYMENIWWSOLI-UHFFFAOYSA-N 2 0 302.466 2.148 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003966337 636101054 /nfs/dbraw/zinc/10/10/54/636101054.db2.gz AKJCXEQUXULBIH-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028331748 636132624 /nfs/dbraw/zinc/13/26/24/636132624.db2.gz KJYMXHVTAOMMBS-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001004498439 636470648 /nfs/dbraw/zinc/47/06/48/636470648.db2.gz HLCMVGLSIBFUMG-KRWDZBQOSA-N 2 0 316.449 2.162 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845379 636784203 /nfs/dbraw/zinc/78/42/03/636784203.db2.gz JWGQBSLRBMGLID-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028918333 636849765 /nfs/dbraw/zinc/84/97/65/636849765.db2.gz FGITZAQVBQJNRD-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP CN(C)CC[N@@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000894451637 637045669 /nfs/dbraw/zinc/04/56/69/637045669.db2.gz QPLGSFFRVCBBJY-UHFFFAOYSA-N 2 0 314.477 2.264 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923385774 637154289 /nfs/dbraw/zinc/15/42/89/637154289.db2.gz IAGVCFMSQINIRS-MOPGFXCFSA-N 2 0 313.445 2.303 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000985432722 639399779 /nfs/dbraw/zinc/39/97/79/639399779.db2.gz GZZVCNKVXUTKOR-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000985700709 639590623 /nfs/dbraw/zinc/59/06/23/639590623.db2.gz DXLXDVGVCNFAMH-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000986483151 639908316 /nfs/dbraw/zinc/90/83/16/639908316.db2.gz SVVCPALBWFBRNE-DOMZBBRYSA-N 2 0 318.808 2.279 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989564157 641146738 /nfs/dbraw/zinc/14/67/38/641146738.db2.gz ZLRUDTAVDUDIKD-WMLDXEAASA-N 2 0 301.434 2.127 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000989743385 641217667 /nfs/dbraw/zinc/21/76/67/641217667.db2.gz NPCQYOSIAAMUJJ-QGZVFWFLSA-N 2 0 301.434 2.010 20 30 DEEDRP C#Cc1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000809629899 646252712 /nfs/dbraw/zinc/25/27/12/646252712.db2.gz GDRJXXFGHAFDAP-UHFFFAOYSA-N 2 0 306.413 2.427 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991624472 646549981 /nfs/dbraw/zinc/54/99/81/646549981.db2.gz MVWDMMJIDRYLPD-MJGOQNOKSA-N 2 0 322.412 2.084 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992435467 647000646 /nfs/dbraw/zinc/00/06/46/647000646.db2.gz UWEWBRRWLBJQOM-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CCCC1 ZINC000819228345 647611897 /nfs/dbraw/zinc/61/18/97/647611897.db2.gz SZZQPUYMCHTEEI-QGZVFWFLSA-N 2 0 301.434 2.303 20 30 DEEDRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000819230820 647612878 /nfs/dbraw/zinc/61/28/78/647612878.db2.gz LUMUURCQYPEREC-MAUKXSAKSA-N 2 0 301.434 2.446 20 30 DEEDRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000819230822 647613317 /nfs/dbraw/zinc/61/33/17/647613317.db2.gz LUMUURCQYPEREC-YJBOKZPZSA-N 2 0 301.434 2.446 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993501615 647681225 /nfs/dbraw/zinc/68/12/25/647681225.db2.gz LVTWBRMXALJMLR-QAPCUYQASA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993922564 647766995 /nfs/dbraw/zinc/76/69/95/647766995.db2.gz BWQOOIBWXDEBGW-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994162363 647797681 /nfs/dbraw/zinc/79/76/81/647797681.db2.gz ACJRUILHMYKPTF-YJBOKZPZSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027310 648988359 /nfs/dbraw/zinc/98/83/59/648988359.db2.gz VFKUNFJZYAWHGB-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942052286 649143139 /nfs/dbraw/zinc/14/31/39/649143139.db2.gz DVUNPHUYXSRTSV-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942054566 649145775 /nfs/dbraw/zinc/14/57/75/649145775.db2.gz XLVZUMUUJQXHJT-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256098 649191408 /nfs/dbraw/zinc/19/14/08/649191408.db2.gz CVTBQBBVEPOSEU-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942287599 649200642 /nfs/dbraw/zinc/20/06/42/649200642.db2.gz LPSDFCWXRMAKLE-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000304760523 685260152 /nfs/dbraw/zinc/26/01/52/685260152.db2.gz SNBWHXHBZCUOGM-LALPHHSUSA-N 2 0 322.403 2.209 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(C)cc(C)c1 ZINC000304762958 685260848 /nfs/dbraw/zinc/26/08/48/685260848.db2.gz WGXXTPFEIHDGAZ-KRWDZBQOSA-N 2 0 302.466 2.235 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134991 693858717 /nfs/dbraw/zinc/85/87/17/693858717.db2.gz RXDHFRSPTCBTHB-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054197907 693879556 /nfs/dbraw/zinc/87/95/56/693879556.db2.gz LNUKSHSIIQTEKC-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP CCC(CC)[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+](C)C ZINC000303787158 685235599 /nfs/dbraw/zinc/23/55/99/685235599.db2.gz SEUXISRSDRRQJV-KRWDZBQOSA-N 2 0 304.482 2.500 20 30 DEEDRP C=C(C)CNC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000303872627 685236293 /nfs/dbraw/zinc/23/62/93/685236293.db2.gz CCYWCCVVACYSHR-KRWDZBQOSA-N 2 0 302.466 2.420 20 30 DEEDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000303871010 685236674 /nfs/dbraw/zinc/23/66/74/685236674.db2.gz FOYYYELWTLEJSP-IRXDYDNUSA-N 3 0 323.529 2.030 20 30 DEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)C1 ZINC000303896705 685238605 /nfs/dbraw/zinc/23/86/05/685238605.db2.gz USWMZJHZPAYRGA-CYBMUJFWSA-N 2 0 320.437 2.162 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCc2ccccc21 ZINC000303909303 685239547 /nfs/dbraw/zinc/23/95/47/685239547.db2.gz YCBJOHZHLWKVNX-DLBZAZTESA-N 2 0 314.477 2.495 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001054905468 694069274 /nfs/dbraw/zinc/06/92/74/694069274.db2.gz FTTKURJVJBLFLB-XHDPSFHLSA-N 2 0 318.808 2.137 20 30 DEEDRP C[NH+](C)C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1C[NH+](C)C ZINC000866013007 687408615 /nfs/dbraw/zinc/40/86/15/687408615.db2.gz ZLJQIRZMCJQLBB-HUUCEWRRSA-N 2 0 320.868 2.387 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001019383825 688342908 /nfs/dbraw/zinc/34/29/08/688342908.db2.gz OXABTPCOOHCGBP-SFHVURJKSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845558 688545372 /nfs/dbraw/zinc/54/53/72/688545372.db2.gz MLWJBYZXWGQRSP-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001201 688549301 /nfs/dbraw/zinc/54/93/01/688549301.db2.gz RIMYNCDASGDFII-MRXNPFEDSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806775 689000710 /nfs/dbraw/zinc/00/07/10/689000710.db2.gz OLCAPOWIUXMOJP-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033835113 689630680 /nfs/dbraw/zinc/63/06/80/689630680.db2.gz MWMLSWYWLDJULF-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003727 689689637 /nfs/dbraw/zinc/68/96/37/689689637.db2.gz HJKYPECBDACKEP-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204252 689761324 /nfs/dbraw/zinc/76/13/24/689761324.db2.gz LDKQVRNCSYVIHQ-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214395 689765593 /nfs/dbraw/zinc/76/55/93/689765593.db2.gz LLJHXROZOVTEOP-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000876724704 689916338 /nfs/dbraw/zinc/91/63/38/689916338.db2.gz GKGDLYFYULXAKU-KGLIPLIRSA-N 2 0 301.862 2.227 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876724858 689917121 /nfs/dbraw/zinc/91/71/21/689917121.db2.gz ARBIPFFIXPZVEI-GUTXKFCHSA-N 2 0 315.889 2.331 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736361 689921399 /nfs/dbraw/zinc/92/13/99/689921399.db2.gz KAPFDNRKGBLYPS-MBNYWOFBSA-N 2 0 315.889 2.329 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001034684384 689926225 /nfs/dbraw/zinc/92/62/25/689926225.db2.gz KKDCQRJIAYYAJJ-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001034711880 689931491 /nfs/dbraw/zinc/93/14/91/689931491.db2.gz KAMCRKAFIDXBJT-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001034711879 689931546 /nfs/dbraw/zinc/93/15/46/689931546.db2.gz KAMCRKAFIDXBJT-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccc(CC)cc1 ZINC000876838312 689950856 /nfs/dbraw/zinc/95/08/56/689950856.db2.gz JFTXMMRMHSJNPO-JKSUJKDBSA-N 2 0 321.852 2.192 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000877200375 690043953 /nfs/dbraw/zinc/04/39/53/690043953.db2.gz KSHQIAKEHZLDPY-CQSZACIVSA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035857384 690195008 /nfs/dbraw/zinc/19/50/08/690195008.db2.gz BEVLBXCYKACZCA-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001036050111 690247019 /nfs/dbraw/zinc/24/70/19/690247019.db2.gz VIFYYCNKMDZNBM-DZGCQCFKSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001036094527 690258448 /nfs/dbraw/zinc/25/84/48/690258448.db2.gz QCHXIUKHMRZWMV-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036202012 690289376 /nfs/dbraw/zinc/28/93/76/690289376.db2.gz FRISZMOBKCKDMG-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001036256187 690303015 /nfs/dbraw/zinc/30/30/15/690303015.db2.gz GEROSXFJJAXGQS-HOCLYGCPSA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001036314702 690318839 /nfs/dbraw/zinc/31/88/39/690318839.db2.gz ZXQKUZJXZOWABU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737778 690454331 /nfs/dbraw/zinc/45/43/31/690454331.db2.gz WDURUJOKEMOULB-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001037870759 690628625 /nfs/dbraw/zinc/62/86/25/690628625.db2.gz XBAUTZMZXRWLMK-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C[NH+]1CCN(C2CC[NH+](CCCCC(C)(C)C#N)CC2)CC1 ZINC000879595864 690683630 /nfs/dbraw/zinc/68/36/30/690683630.db2.gz GWJMYYOGBYFUCX-UHFFFAOYSA-N 2 0 306.498 2.418 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133109 691030209 /nfs/dbraw/zinc/03/02/09/691030209.db2.gz FLKRNCFBZKLJKR-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039302195 691077537 /nfs/dbraw/zinc/07/75/37/691077537.db2.gz ZVXLYXVFTNSJCR-AYHJJNSGSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001039304720 691077575 /nfs/dbraw/zinc/07/75/75/691077575.db2.gz UKCLPHBAVWNSOY-AYHJJNSGSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040465053 691252440 /nfs/dbraw/zinc/25/24/40/691252440.db2.gz UOOSBDLCMBIOBJ-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040701302 691280285 /nfs/dbraw/zinc/28/02/85/691280285.db2.gz XRBJJVZYSQEYSY-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848981 691292884 /nfs/dbraw/zinc/29/28/84/691292884.db2.gz MZPGJRQGVUNUQM-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948300 691300155 /nfs/dbraw/zinc/30/01/55/691300155.db2.gz OCSRBCCPWBWYRW-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357413 691367249 /nfs/dbraw/zinc/36/72/49/691367249.db2.gz HFDWKKIHFVWQBV-HKUYNNGSSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845659 691444177 /nfs/dbraw/zinc/44/41/77/691444177.db2.gz MLFLDGZEEBGNCU-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133350 691517457 /nfs/dbraw/zinc/51/74/57/691517457.db2.gz JDTMHNAEVAVORS-YJBOKZPZSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042369418 691584256 /nfs/dbraw/zinc/58/42/56/691584256.db2.gz XTXSTBWXEPANFS-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045438735 691981196 /nfs/dbraw/zinc/98/11/96/691981196.db2.gz WFGMRYZTITUXCL-MRXNPFEDSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531480 691993411 /nfs/dbraw/zinc/99/34/11/691993411.db2.gz KCCAUXYHOCFSGT-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531104 691993554 /nfs/dbraw/zinc/99/35/54/691993554.db2.gz DJTMTUNHOZWXER-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045619376 692006619 /nfs/dbraw/zinc/00/66/19/692006619.db2.gz FJFDGWLNIHOKPB-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000886209820 692024530 /nfs/dbraw/zinc/02/45/30/692024530.db2.gz VWFHAHYBMQQTCC-SFHVURJKSA-N 2 0 303.494 2.471 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046315238 692149594 /nfs/dbraw/zinc/14/95/94/692149594.db2.gz IJIOZXWHHJNBDN-SJLPKXTDSA-N 2 0 307.482 2.406 20 30 DEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000887132720 692287134 /nfs/dbraw/zinc/28/71/34/692287134.db2.gz LRORCSDIJAAYKI-BEFAXECRSA-N 2 0 322.412 2.197 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172458 692779734 /nfs/dbraw/zinc/77/97/34/692779734.db2.gz WWIQKTJILDNDTL-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514813 692906884 /nfs/dbraw/zinc/90/68/84/692906884.db2.gz JHCVNUGXQWGHHR-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049549766 692918660 /nfs/dbraw/zinc/91/86/60/692918660.db2.gz ISXYBHLZRXFOFG-IXDOHACOSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671617 692961218 /nfs/dbraw/zinc/96/12/18/692961218.db2.gz LXZGAURQICEJIV-FJIDUMEYSA-N 2 0 319.493 2.358 20 30 DEEDRP COCC[N@@H+](Cc1csc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000895692599 692998072 /nfs/dbraw/zinc/99/80/72/692998072.db2.gz UPLUCCPDSGBLAN-UHFFFAOYSA-N 2 0 307.463 2.410 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846202 693020320 /nfs/dbraw/zinc/02/03/20/693020320.db2.gz GIYSGOOUNINOGJ-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)CC1 ZINC001050392850 693171133 /nfs/dbraw/zinc/17/11/33/693171133.db2.gz JMIGUWMANXWRSS-SAABIXHNSA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446861 693537113 /nfs/dbraw/zinc/53/71/13/693537113.db2.gz RURMDJNFXIUANZ-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513870 693554270 /nfs/dbraw/zinc/55/42/70/693554270.db2.gz JXJVNCUJMKTURM-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515293 693555294 /nfs/dbraw/zinc/55/52/94/693555294.db2.gz CRGPGAFDAOLIPQ-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663510 693591944 /nfs/dbraw/zinc/59/19/44/693591944.db2.gz SYPXFKGQXNNRRT-OAHLLOKOSA-N 2 0 305.422 2.112 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764439 693614653 /nfs/dbraw/zinc/61/46/53/693614653.db2.gz PIBCIUZOUPKMHI-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820341 693625419 /nfs/dbraw/zinc/62/54/19/693625419.db2.gz OBXHWWCJSSSWBS-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838011 693629694 /nfs/dbraw/zinc/62/96/94/693629694.db2.gz YKBVQLMWAPNIPQ-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928004110 693698857 /nfs/dbraw/zinc/69/88/57/693698857.db2.gz CDPALYIMXKVCEK-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001332143605 1149825399 /nfs/dbraw/zinc/82/53/99/1149825399.db2.gz BOGXPGOBWNLGNY-GVDBMIGSSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CNc1cccc(C)n1 ZINC001333101328 1149998669 /nfs/dbraw/zinc/99/86/69/1149998669.db2.gz SGPLLIYWJLTRRC-MRXNPFEDSA-N 2 0 316.449 2.301 20 30 DEEDRP C#CC[NH+]1CCC(OC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001344373070 1150818923 /nfs/dbraw/zinc/81/89/23/1150818923.db2.gz IPRSGTOHGARNPA-QGZVFWFLSA-N 2 0 306.450 2.138 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403408166 1162874799 /nfs/dbraw/zinc/87/47/99/1162874799.db2.gz LIVASVOSGARCJX-CYBMUJFWSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376294028 1159321515 /nfs/dbraw/zinc/32/15/15/1159321515.db2.gz XJELZLIHDYBMDP-OAHLLOKOSA-N 2 0 313.873 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001376621884 1159607886 /nfs/dbraw/zinc/60/78/86/1159607886.db2.gz VUGGVPHWMKNDIN-AWEZNQCLSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376967673 1159859237 /nfs/dbraw/zinc/85/92/37/1159859237.db2.gz HYCRMQBRCHCCHB-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001401269810 1161910545 /nfs/dbraw/zinc/91/05/45/1161910545.db2.gz CRDUVNPYNLSBQG-OAHLLOKOSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)CN1CCC[C@H](NC(=O)CCCn2ccnc2C)C1 ZINC001404710715 1163794086 /nfs/dbraw/zinc/79/40/86/1163794086.db2.gz OMWRWQGCBDYPDE-HNNXBMFYSA-N 2 0 324.856 2.305 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408303153 1165574601 /nfs/dbraw/zinc/57/46/01/1165574601.db2.gz ZJJSSVYXKAHMMY-HIFRSBDPSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001441212618 1181896800 /nfs/dbraw/zinc/89/68/00/1181896800.db2.gz UEHBSBBSULVLAD-GJZGRUSLSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001448725607 1185384661 /nfs/dbraw/zinc/38/46/61/1185384661.db2.gz MQQIPMOXJODZBQ-ZDUSSCGKSA-N 2 0 303.878 2.153 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001331926961 1149779268 /nfs/dbraw/zinc/77/92/68/1149779268.db2.gz RBNYKFILPZRDSK-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106112029 782259760 /nfs/dbraw/zinc/25/97/60/782259760.db2.gz VTXXOAWZCYIAIR-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001332321210 1149848882 /nfs/dbraw/zinc/84/88/82/1149848882.db2.gz HXYNNWFJGXDXNL-WMZOPIPTSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106472101 782730803 /nfs/dbraw/zinc/73/08/03/782730803.db2.gz PRSFWLUANBADQR-KBAYOESNSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334930 782771604 /nfs/dbraw/zinc/77/16/04/782771604.db2.gz LOGOVOSNKZHMDX-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356554 782794585 /nfs/dbraw/zinc/79/45/85/782794585.db2.gz HBAMVCSHTUPBRB-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401072 783068804 /nfs/dbraw/zinc/06/88/04/783068804.db2.gz OMYCEZMAIOSDMV-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089560238 783208541 /nfs/dbraw/zinc/20/85/41/783208541.db2.gz XFJIGDKXAZXHRM-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167051425 776546149 /nfs/dbraw/zinc/54/61/49/776546149.db2.gz LHMQREYVFKFSBT-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125969 790472946 /nfs/dbraw/zinc/47/29/46/790472946.db2.gz QTLUXXRHDUNMEK-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206966924 776835987 /nfs/dbraw/zinc/83/59/87/776835987.db2.gz BLMANZYFYLYVPS-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104348795 777095968 /nfs/dbraw/zinc/09/59/68/777095968.db2.gz VIKWOCKDLPNICW-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518706 777651898 /nfs/dbraw/zinc/65/18/98/777651898.db2.gz YIHGBCADDNYJJP-LPHOPBHVSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529804 778608524 /nfs/dbraw/zinc/60/85/24/778608524.db2.gz PZMAKWRDAMWTIM-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001112531862 778656483 /nfs/dbraw/zinc/65/64/83/778656483.db2.gz UPMAWBUOMMBART-BQFCYCMXSA-N 2 0 307.482 2.121 20 30 DEEDRP N#CCc1ccc(C(F)(F)F)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167882445 778746260 /nfs/dbraw/zinc/74/62/60/778746260.db2.gz SAMKNRMUZGBOIF-UHFFFAOYSA-N 2 0 313.327 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642051 779390699 /nfs/dbraw/zinc/39/06/99/779390699.db2.gz RGBQEZKKSQIYHX-DLBZAZTESA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087797043 779454934 /nfs/dbraw/zinc/45/49/34/779454934.db2.gz VWDMGGHCXWPNOC-QLFBSQMISA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150536 779730066 /nfs/dbraw/zinc/73/00/66/779730066.db2.gz JHUVDRNLKFPAKV-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088381245 780050052 /nfs/dbraw/zinc/05/00/52/780050052.db2.gz AIWNVOFMUISSMU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037769 780960672 /nfs/dbraw/zinc/96/06/72/780960672.db2.gz WKVQDGXXGATUBB-OFLPRAFFSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)[C@@H]2C1 ZINC001076303153 781203117 /nfs/dbraw/zinc/20/31/17/781203117.db2.gz LMDRELWQAIHWET-YESZJQIVSA-N 2 0 316.449 2.333 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947937042 783273097 /nfs/dbraw/zinc/27/30/97/783273097.db2.gz ZWYSFDOZGJWQEC-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111275232 783488573 /nfs/dbraw/zinc/48/85/73/783488573.db2.gz ROXDZDUELCVGCL-HZMVEIRTSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519269 783544249 /nfs/dbraw/zinc/54/42/49/783544249.db2.gz GZKBPIOFEGQMLK-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686139 783964483 /nfs/dbraw/zinc/96/44/83/783964483.db2.gz KLLKLONGEKOWQT-INIZCTEOSA-N 2 0 312.417 2.365 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695629 783972488 /nfs/dbraw/zinc/97/24/88/783972488.db2.gz ODAJXNJKUNSBAK-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901514 784192758 /nfs/dbraw/zinc/19/27/58/784192758.db2.gz HDSQEJDXMGEQEY-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917396 784209244 /nfs/dbraw/zinc/20/92/44/784209244.db2.gz YQTSSNXANXIFBU-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985031 784287549 /nfs/dbraw/zinc/28/75/49/784287549.db2.gz REBNDGMWVADKQZ-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000968676443 784533829 /nfs/dbraw/zinc/53/38/29/784533829.db2.gz KIVNUOSHDOANAT-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086277978 784539970 /nfs/dbraw/zinc/53/99/70/784539970.db2.gz BXKCPUYGVGSTGI-QLFBSQMISA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086364745 784626023 /nfs/dbraw/zinc/62/60/23/784626023.db2.gz PMUZJRBHZPVJQY-KKUMJFAQSA-N 2 0 313.873 2.096 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002104 784687391 /nfs/dbraw/zinc/68/73/91/784687391.db2.gz KSINSHCBDKKZSA-BZSNNMDCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014262 784690175 /nfs/dbraw/zinc/69/01/75/784690175.db2.gz VWAKECJQGGGELS-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007368334 784901225 /nfs/dbraw/zinc/90/12/25/784901225.db2.gz FXZRLAVBTUADNW-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007746846 784989535 /nfs/dbraw/zinc/98/95/35/784989535.db2.gz OQMPPULBQOLVTH-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001091280075 791075022 /nfs/dbraw/zinc/07/50/22/791075022.db2.gz ABHULLVLHSJBRX-UHFFFAOYSA-N 2 0 315.461 2.422 20 30 DEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122593 785044690 /nfs/dbraw/zinc/04/46/90/785044690.db2.gz AVBCNVSYHLYNQW-NNZMDNLPSA-N 3 0 300.450 2.279 20 30 DEEDRP 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 785997180 /nfs/dbraw/zinc/99/71/80/785997180.db2.gz CPOAPSQTYYPASB-PMPSAXMXSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109865429 786089311 /nfs/dbraw/zinc/08/93/11/786089311.db2.gz PEUWXLJDIJICPB-YVSFHVDLSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109932934 786102588 /nfs/dbraw/zinc/10/25/88/786102588.db2.gz ZOQNGUCFLIUIAS-YVSFHVDLSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401998 786568413 /nfs/dbraw/zinc/56/84/13/786568413.db2.gz ZXPVWQVHDKGHAG-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP CCCCCCC[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113536248 786666722 /nfs/dbraw/zinc/66/67/22/786666722.db2.gz KCIOFAZKSLDTCY-QGZVFWFLSA-N 2 0 309.498 2.443 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015377573 787022947 /nfs/dbraw/zinc/02/29/47/787022947.db2.gz QLZVDZKLLRBYNB-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015597941 787130264 /nfs/dbraw/zinc/13/02/64/787130264.db2.gz CPGSHGUILFNFLD-WBVHZDCISA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001096611131 787760508 /nfs/dbraw/zinc/76/05/08/787760508.db2.gz JGBKWNXGDBLIEH-LTIDMASMSA-N 2 0 305.466 2.158 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212271 787967878 /nfs/dbraw/zinc/96/78/78/787967878.db2.gz VWGHEVVZGRFEFV-IAGOWNOFSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132264878 787995684 /nfs/dbraw/zinc/99/56/84/787995684.db2.gz DDKKJEZAQWBPFV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524510 788114170 /nfs/dbraw/zinc/11/41/70/788114170.db2.gz IEPJJABKMHEOQV-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097694955 788183605 /nfs/dbraw/zinc/18/36/05/788183605.db2.gz LYNCBRPKEBTZNB-TVFCKZIOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133262108 788338237 /nfs/dbraw/zinc/33/82/37/788338237.db2.gz GRDSAGVPRDLLJT-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086715446 788699869 /nfs/dbraw/zinc/69/98/69/788699869.db2.gz GOTHJQUQIXZLQC-RCCFBDPRSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134493683 788956045 /nfs/dbraw/zinc/95/60/45/788956045.db2.gz NBUFGHVPAAAFPK-CHWSQXEVSA-N 2 0 309.479 2.482 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134518095 788960943 /nfs/dbraw/zinc/96/09/43/788960943.db2.gz BBFJYQDXWZTCQH-UONOGXRCSA-N 2 0 321.490 2.320 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902319 789553529 /nfs/dbraw/zinc/55/35/29/789553529.db2.gz QCNLPHXZILKFBB-JKSUJKDBSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935971 789566015 /nfs/dbraw/zinc/56/60/15/789566015.db2.gz YRUMUIMDRSXGDX-CHWSQXEVSA-N 2 0 324.856 2.387 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944593 789569264 /nfs/dbraw/zinc/56/92/64/789569264.db2.gz MSVLOEKEWTZNGY-ZIAGYGMSSA-N 2 0 304.438 2.210 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135974656 789586100 /nfs/dbraw/zinc/58/61/00/789586100.db2.gz SNAVTDOIVOYWFW-KGLIPLIRSA-N 2 0 303.878 2.344 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071599826 789804112 /nfs/dbraw/zinc/80/41/12/789804112.db2.gz AXHXOCPFVGXJTP-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071645465 789837697 /nfs/dbraw/zinc/83/76/97/789837697.db2.gz JPZPAJPNWBSJDG-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682173 789863409 /nfs/dbraw/zinc/86/34/09/789863409.db2.gz IDCWUONHLYEZCE-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735530 789897223 /nfs/dbraw/zinc/89/72/23/789897223.db2.gz NMVHREUMOFFNDJ-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCC)C2)CC1 ZINC001072096009 790050908 /nfs/dbraw/zinc/05/09/08/790050908.db2.gz RYTLJSOFQCUFKP-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146583525 791315619 /nfs/dbraw/zinc/31/56/19/791315619.db2.gz MHMDOBPDARCLCJ-JKSUJKDBSA-N 2 0 315.461 2.258 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001146610940 791323175 /nfs/dbraw/zinc/32/31/75/791323175.db2.gz LBXFCNJDYFSERX-CVEARBPZSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541852 791565062 /nfs/dbraw/zinc/56/50/62/791565062.db2.gz ZLLFPXCCRHSMPP-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP 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 791592456 /nfs/dbraw/zinc/59/24/56/791592456.db2.gz QJYZXWGBQPKARF-HZMVEIRTSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017653 791665405 /nfs/dbraw/zinc/66/54/05/791665405.db2.gz XKVHZAQCNSHYEM-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148277659 791728100 /nfs/dbraw/zinc/72/81/00/791728100.db2.gz JZNINVPRXFCDBH-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777149 791797158 /nfs/dbraw/zinc/79/71/58/791797158.db2.gz CBYTWHVOQNEJLK-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148838932 791809407 /nfs/dbraw/zinc/80/94/07/791809407.db2.gz IPOJRUGWCSTJMN-INIZCTEOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092022091 791924065 /nfs/dbraw/zinc/92/40/65/791924065.db2.gz MZPKRTFXCIAMFV-RYRKJORJSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071451 791928428 /nfs/dbraw/zinc/92/84/28/791928428.db2.gz WKWJMNXTBSPYRX-AOIWGVFYSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001099027707 792045146 /nfs/dbraw/zinc/04/51/46/792045146.db2.gz QLILXJZWABOIOT-RYRKJORJSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099236206 792148161 /nfs/dbraw/zinc/14/81/61/792148161.db2.gz WZIYPRDBWPTTJN-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001092906858 792169643 /nfs/dbraw/zinc/16/96/43/792169643.db2.gz KDMPOLHVULAJOH-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100476360 792675209 /nfs/dbraw/zinc/67/52/09/792675209.db2.gz LBTXXIXYAGCPKE-GTPINHCMSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100681004 792786096 /nfs/dbraw/zinc/78/60/96/792786096.db2.gz QGPFKTHTQHXIAZ-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094577282 792990731 /nfs/dbraw/zinc/99/07/31/792990731.db2.gz FECJPSXLVXOJSN-YQVWRLOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@]2(C)C1 ZINC001101394808 793142760 /nfs/dbraw/zinc/14/27/60/793142760.db2.gz DZCZHJJUDGPFBF-MJGOQNOKSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171634700 793171225 /nfs/dbraw/zinc/17/12/25/793171225.db2.gz WXHDTUATPWPDFB-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171690437 793190520 /nfs/dbraw/zinc/19/05/20/793190520.db2.gz CWUKLZIYZRKHPU-OAHLLOKOSA-N 2 0 312.417 2.236 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101982775 793468393 /nfs/dbraw/zinc/46/83/93/793468393.db2.gz JCRWAGSPDBKACQ-ZJPYXAASSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047752 793486979 /nfs/dbraw/zinc/48/69/79/793486979.db2.gz RVUFSTODNBLQIX-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579608 793663912 /nfs/dbraw/zinc/66/39/12/793663912.db2.gz GTQRQINNZREZBF-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCOC1CCC([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173316293 793689228 /nfs/dbraw/zinc/68/92/28/793689228.db2.gz DZLQLHGINTZPFX-PUSDAICGSA-N 2 0 308.466 2.471 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001103359205 794057412 /nfs/dbraw/zinc/05/74/12/794057412.db2.gz OSRYPBIYCRGUCY-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001174882989 794082379 /nfs/dbraw/zinc/08/23/79/794082379.db2.gz ZYRSNVOTIOIRMJ-MSOLQXFVSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188555 794262270 /nfs/dbraw/zinc/26/22/70/794262270.db2.gz GMCICIOOBYOKBT-IKGGRYGDSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760438 794498854 /nfs/dbraw/zinc/49/88/54/794498854.db2.gz WOPYXHUQJHLLSD-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540429 794814688 /nfs/dbraw/zinc/81/46/88/794814688.db2.gz KGXKAUKEKKSKOT-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001115696043 794883551 /nfs/dbraw/zinc/88/35/51/794883551.db2.gz CXBGEVMBYAVSRL-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178527884 794941215 /nfs/dbraw/zinc/94/12/15/794941215.db2.gz PTLOSXKBLCYTBV-DLBZAZTESA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060624 795233676 /nfs/dbraw/zinc/23/36/76/795233676.db2.gz JTYPAVFVRMXARD-OAHLLOKOSA-N 2 0 315.889 2.347 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180365716 795291974 /nfs/dbraw/zinc/29/19/74/795291974.db2.gz DLKNTYYUKJMUME-UHFFFAOYSA-N 2 0 307.482 2.152 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180372940 795292780 /nfs/dbraw/zinc/29/27/80/795292780.db2.gz OTBGOPCMDQJIPB-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421864 795456202 /nfs/dbraw/zinc/45/62/02/795456202.db2.gz FPDZZZIGEWWYQP-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120470998 795467090 /nfs/dbraw/zinc/46/70/90/795467090.db2.gz VEPGDOZPGAOTPK-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121254798 795607577 /nfs/dbraw/zinc/60/75/77/795607577.db2.gz BPZKRKCBLKUXMC-HVEGKCCWSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121260887 795608951 /nfs/dbraw/zinc/60/89/51/795608951.db2.gz KZFYLQYCTFYZPE-RFSHTEQGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001121761729 795683557 /nfs/dbraw/zinc/68/35/57/795683557.db2.gz NOCQFVHBULZOFE-HVEGKCCWSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121773105 795686009 /nfs/dbraw/zinc/68/60/09/795686009.db2.gz OBSAGWVXGZIZLJ-NYXDSXFPSA-N 2 0 319.493 2.167 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001122242981 795739630 /nfs/dbraw/zinc/73/96/30/795739630.db2.gz UCMSMTQQYNKGKA-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC1(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCCC1 ZINC001182746707 795747826 /nfs/dbraw/zinc/74/78/26/795747826.db2.gz WSNIWNNYSJOLBL-UHFFFAOYSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001183027954 795792780 /nfs/dbraw/zinc/79/27/80/795792780.db2.gz XVXUBFGNGRBKFE-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576545 795925156 /nfs/dbraw/zinc/92/51/56/795925156.db2.gz FXIQACKLGOWPDD-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184822400 796133509 /nfs/dbraw/zinc/13/35/09/796133509.db2.gz RDZCJVUELDWTQS-JKSUJKDBSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185445149 796258365 /nfs/dbraw/zinc/25/83/65/796258365.db2.gz FCDRTALXIGBFRQ-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185503927 796273751 /nfs/dbraw/zinc/27/37/51/796273751.db2.gz UCJATLWYUSNDST-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185680962 796308605 /nfs/dbraw/zinc/30/86/05/796308605.db2.gz HYFNNGKRXDEVGR-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106926 796482996 /nfs/dbraw/zinc/48/29/96/796482996.db2.gz QVBAYOXPFPAPGN-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190656943 797049807 /nfs/dbraw/zinc/04/98/07/797049807.db2.gz YEKUHEQUXMENRV-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001153266835 797313134 /nfs/dbraw/zinc/31/31/34/797313134.db2.gz WDEAOUKGDAUMHJ-UHFFFAOYSA-N 2 0 313.829 2.193 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001192293294 797355665 /nfs/dbraw/zinc/35/56/65/797355665.db2.gz HMHOGTQXOUWBBZ-GJZGRUSLSA-N 2 0 316.449 2.329 20 30 DEEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001193381948 797556114 /nfs/dbraw/zinc/55/61/14/797556114.db2.gz CLWINHGAMMNSHG-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196216092 798022341 /nfs/dbraw/zinc/02/23/41/798022341.db2.gz ZTOPACNRJFZUAT-SJORKVTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196366862 798052679 /nfs/dbraw/zinc/05/26/79/798052679.db2.gz POBVRYCMYYQQKL-UHFFFAOYSA-N 2 0 316.449 2.018 20 30 DEEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198098487 798280159 /nfs/dbraw/zinc/28/01/59/798280159.db2.gz XPTCWQXAKHOTTQ-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082651 798339112 /nfs/dbraw/zinc/33/91/12/798339112.db2.gz HSRIPRZEOWYHEG-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385415 798398432 /nfs/dbraw/zinc/39/84/32/798398432.db2.gz HEVKULZKRGNDAT-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909137 798488502 /nfs/dbraw/zinc/48/85/02/798488502.db2.gz JPRDHRQLUYDFSP-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158914957 798488955 /nfs/dbraw/zinc/48/89/55/798488955.db2.gz WXQQPSJAWKDOEW-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001200894920 798688419 /nfs/dbraw/zinc/68/84/19/798688419.db2.gz YYFQXNPKTQYPIS-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089024 798794582 /nfs/dbraw/zinc/79/45/82/798794582.db2.gz GILULYMZUZRPLH-INIZCTEOSA-N 2 0 307.482 2.431 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925266 798970013 /nfs/dbraw/zinc/97/00/13/798970013.db2.gz ZBZLLIDLCJLPQG-IYBDPMFKSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906032 799199919 /nfs/dbraw/zinc/19/99/19/799199919.db2.gz DBBMIGLKXAMXQS-UHFFFAOYSA-N 2 0 317.477 2.175 20 30 DEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C)c(C#N)cc1Cl ZINC001163129557 799253935 /nfs/dbraw/zinc/25/39/35/799253935.db2.gz NUTHAARVMCJWHW-UHFFFAOYSA-N 2 0 308.817 2.193 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095684585 799694170 /nfs/dbraw/zinc/69/41/70/799694170.db2.gz MPRMUQOCSDENLZ-IKGGRYGDSA-N 2 0 317.477 2.303 20 30 DEEDRP 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 799784783 /nfs/dbraw/zinc/78/47/83/799784783.db2.gz UCFRIQIHWNNONE-AVEIZBFRSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979048 799806602 /nfs/dbraw/zinc/80/66/02/799806602.db2.gz OREICERMTKIVHY-HPBDAGMYSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018050 799832939 /nfs/dbraw/zinc/83/29/39/799832939.db2.gz HQTFDBBZRIVWED-VQHPVUNQSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203514889 800066747 /nfs/dbraw/zinc/06/67/47/800066747.db2.gz PHLTXYGIDYAYIY-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203649319 800099874 /nfs/dbraw/zinc/09/98/74/800099874.db2.gz AJRCLHOOMXRZRH-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001203763995 800120192 /nfs/dbraw/zinc/12/01/92/800120192.db2.gz RZFVRQHOAKQOJV-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CCCC[NH3+])CC2 ZINC001204848760 800266659 /nfs/dbraw/zinc/26/66/59/800266659.db2.gz SXGFVVAKKYJPKM-UHFFFAOYSA-N 2 0 309.454 2.226 20 30 DEEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435033 800751282 /nfs/dbraw/zinc/75/12/82/800751282.db2.gz DRWNPNFITZXXAR-MSOLQXFVSA-N 2 0 308.466 2.060 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073430 800905694 /nfs/dbraw/zinc/90/56/94/800905694.db2.gz JPPOQODRLHWDCM-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281753 800944766 /nfs/dbraw/zinc/94/47/66/800944766.db2.gz YXXNGWVGZMNIKK-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491513 800995357 /nfs/dbraw/zinc/99/53/57/800995357.db2.gz KJZMNANIIWOLHM-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001208596619 801023983 /nfs/dbraw/zinc/02/39/83/801023983.db2.gz VUPOBOWSDCCCSF-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304873 801168011 /nfs/dbraw/zinc/16/80/11/801168011.db2.gz VGKQRJUSDKBPKT-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230046940 801355756 /nfs/dbraw/zinc/35/57/56/801355756.db2.gz NETCEGXPWRCVRX-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP N#CCc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccc1F ZINC001210270779 801366054 /nfs/dbraw/zinc/36/60/54/801366054.db2.gz LGPPXEJELALRFP-UHFFFAOYSA-N 2 0 311.364 2.440 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230434885 801402449 /nfs/dbraw/zinc/40/24/49/801402449.db2.gz YNHFJSLIHFXVTD-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215981434 801924181 /nfs/dbraw/zinc/92/41/81/801924181.db2.gz DWWDEICPWNZGSI-ZACQAIPSSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217932712 802120830 /nfs/dbraw/zinc/12/08/30/802120830.db2.gz BPECPLWDTDKEMH-GVDBMIGSSA-N 2 0 308.466 2.249 20 30 DEEDRP C=CCOc1ccccc1[C@H](C)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220663512 802483902 /nfs/dbraw/zinc/48/39/02/802483902.db2.gz GZUCVEWTHNNHQP-GJZGRUSLSA-N 2 0 319.449 2.275 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221794173 802615936 /nfs/dbraw/zinc/61/59/36/802615936.db2.gz VEANENBFWWFQQO-BRWVUGGUSA-N 2 0 307.482 2.072 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877807 802623775 /nfs/dbraw/zinc/62/37/75/802623775.db2.gz KHFIUXAPOBSNAW-KURKYZTESA-N 2 0 321.509 2.462 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968585 802630533 /nfs/dbraw/zinc/63/05/33/802630533.db2.gz SULUQUCACKAIKG-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001222050726 802636256 /nfs/dbraw/zinc/63/62/56/802636256.db2.gz DNLPFAOOSVMODT-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223471957 802793171 /nfs/dbraw/zinc/79/31/71/802793171.db2.gz HWXJYWMKCPLVFK-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223494772 802795335 /nfs/dbraw/zinc/79/53/35/802795335.db2.gz ADJWWJPJJKUJKX-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227093092 803199058 /nfs/dbraw/zinc/19/90/58/803199058.db2.gz ZZAAKWZQOCDLDD-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101988 1148721958 /nfs/dbraw/zinc/72/19/58/1148721958.db2.gz JUKYAGOLHWWNKR-INIZCTEOSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001499936463 1058388038 /nfs/dbraw/zinc/38/80/38/1058388038.db2.gz ZZKNIEWEBOTGBZ-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135519 1059982119 /nfs/dbraw/zinc/98/21/19/1059982119.db2.gz MBHCQDNYXLVYEZ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001502401695 1060109674 /nfs/dbraw/zinc/10/96/74/1060109674.db2.gz QOBPDJFSAVCVCH-SFHVURJKSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001502809755 1060315321 /nfs/dbraw/zinc/31/53/21/1060315321.db2.gz MUZXBGIEDUBDRS-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001502953288 1060409725 /nfs/dbraw/zinc/40/97/25/1060409725.db2.gz VLYDHACQSGWOIW-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001505442578 1060605057 /nfs/dbraw/zinc/60/50/57/1060605057.db2.gz ZCSOYQPWZNKKRW-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001505447768 1060612247 /nfs/dbraw/zinc/61/22/47/1060612247.db2.gz COFDLZBLBFHBQN-HZPDHXFCSA-N 2 0 304.438 2.333 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001505619014 1060786088 /nfs/dbraw/zinc/78/60/88/1060786088.db2.gz SUFPZOJUWXLBBU-CHWSQXEVSA-N 2 0 309.479 2.482 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001479690294 1061603230 /nfs/dbraw/zinc/60/32/30/1061603230.db2.gz ZWLKVGBOOUKCKI-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480102112 1062330694 /nfs/dbraw/zinc/33/06/94/1062330694.db2.gz PGUTUQLGCGFHML-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480144782 1062382675 /nfs/dbraw/zinc/38/26/75/1062382675.db2.gz NTKMWJISUDRWNE-WKILWMFISA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506928137 1062537916 /nfs/dbraw/zinc/53/79/16/1062537916.db2.gz LZAJKRZIJPEZOD-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001507014187 1062676050 /nfs/dbraw/zinc/67/60/50/1062676050.db2.gz BCVCLMPNDBITOU-SFHVURJKSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480695634 1063201203 /nfs/dbraw/zinc/20/12/03/1063201203.db2.gz DAJGFXVHSAXNCT-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480725490 1063251692 /nfs/dbraw/zinc/25/16/92/1063251692.db2.gz SNVJLJCEJOYPPG-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329140942 1148868421 /nfs/dbraw/zinc/86/84/21/1148868421.db2.gz ICQJFHYVZDIOHK-HNNXBMFYSA-N 2 0 314.433 2.208 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001507991550 1063491922 /nfs/dbraw/zinc/49/19/22/1063491922.db2.gz OSAYGQSTSODUOC-HNNXBMFYSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCC)C(C)(C)C)CC1 ZINC001508034327 1063510673 /nfs/dbraw/zinc/51/06/73/1063510673.db2.gz DRXZNOWNPLFEAO-KRWDZBQOSA-N 2 0 321.509 2.252 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001493859108 1063999154 /nfs/dbraw/zinc/99/91/54/1063999154.db2.gz MYEXQWXPHDVVEH-UHFFFAOYSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001493972047 1064052130 /nfs/dbraw/zinc/05/21/30/1064052130.db2.gz SGXMVPVMUQZQLV-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001567561544 1064254672 /nfs/dbraw/zinc/25/46/72/1064254672.db2.gz SUGQFYWSGJAVSX-UHFFFAOYSA-N 2 0 323.868 2.205 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567660102 1064325613 /nfs/dbraw/zinc/32/56/13/1064325613.db2.gz SYXORBPJIYUMGD-DLBZAZTESA-N 2 0 301.434 2.104 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001567662692 1064329626 /nfs/dbraw/zinc/32/96/26/1064329626.db2.gz IWWXSQMNSAPHOX-QZTJIDSGSA-N 2 0 315.461 2.043 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567942162 1064545251 /nfs/dbraw/zinc/54/52/51/1064545251.db2.gz LFMZYVXYXAZWGQ-IRXDYDNUSA-N 2 0 307.482 2.053 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001568240768 1064725000 /nfs/dbraw/zinc/72/50/00/1064725000.db2.gz RUFYQDJVRUNCQH-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001495264204 1064793662 /nfs/dbraw/zinc/79/36/62/1064793662.db2.gz BJHFINWWCBYRPT-WMZOPIPTSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001495319560 1064828864 /nfs/dbraw/zinc/82/88/64/1064828864.db2.gz HJCYCANFALJWPQ-CJNGLKHVSA-N 2 0 315.889 2.345 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001568493368 1064907990 /nfs/dbraw/zinc/90/79/90/1064907990.db2.gz QYFUKKTZEDFBJP-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP CCN1CC[NH+](CCCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001620718834 1078167989 /nfs/dbraw/zinc/16/79/89/1078167989.db2.gz UMVOSAYDPSOFAV-UHFFFAOYSA-N 2 0 306.498 2.466 20 30 DEEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001569135706 1065312717 /nfs/dbraw/zinc/31/27/17/1065312717.db2.gz ZUGVHNVLKUCEDJ-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001496350404 1065421855 /nfs/dbraw/zinc/42/18/55/1065421855.db2.gz HRWJCIRTCHLPOG-KDOFPFPSSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001496364620 1065427861 /nfs/dbraw/zinc/42/78/61/1065427861.db2.gz TXEVUHZDVCMYMB-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001569323977 1065429644 /nfs/dbraw/zinc/42/96/44/1065429644.db2.gz NBVQDCMTOGGBCS-SFHVURJKSA-N 2 0 315.461 2.422 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1CC ZINC001569343666 1065443033 /nfs/dbraw/zinc/44/30/33/1065443033.db2.gz XOIWGDCHFQLVHK-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](CC)CC1 ZINC001569598032 1065614306 /nfs/dbraw/zinc/61/43/06/1065614306.db2.gz URDUPFBYPROZRX-UHFFFAOYSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569811563 1065733695 /nfs/dbraw/zinc/73/36/95/1065733695.db2.gz SEBVISLWCSRMHG-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001496903819 1065790703 /nfs/dbraw/zinc/79/07/03/1065790703.db2.gz JJALYZRVAWJZED-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001570045864 1065902083 /nfs/dbraw/zinc/90/20/83/1065902083.db2.gz UMMHMXTUEYPORB-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001570348357 1066024607 /nfs/dbraw/zinc/02/46/07/1066024607.db2.gz DEDCAJGXYXHMRU-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570465234 1066083873 /nfs/dbraw/zinc/08/38/73/1066083873.db2.gz NXCJAZHHQVASDS-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001628586152 1078299910 /nfs/dbraw/zinc/29/99/10/1078299910.db2.gz VOYOKLFJINWJOF-GDBMZVCRSA-N 2 0 321.490 2.365 20 30 DEEDRP C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001576253750 1066536661 /nfs/dbraw/zinc/53/66/61/1066536661.db2.gz ZBTLYOYNBPOKFZ-RHSMWYFYSA-N 2 0 323.444 2.436 20 30 DEEDRP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC001576809233 1066694434 /nfs/dbraw/zinc/69/44/34/1066694434.db2.gz QOGGAFSNTQJCFT-YOEHRIQHSA-N 2 0 323.444 2.375 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001499120904 1067107599 /nfs/dbraw/zinc/10/75/99/1067107599.db2.gz XRTXHPBXGJVWPA-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001483366989 1078484779 /nfs/dbraw/zinc/48/47/79/1078484779.db2.gz AHUYBSPSVYONEM-MRXNPFEDSA-N 2 0 317.477 2.417 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001570582852 1068021199 /nfs/dbraw/zinc/02/11/99/1068021199.db2.gz YWJJMSIIXDKKQT-JCYILVPMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001267185294 1078649225 /nfs/dbraw/zinc/64/92/25/1078649225.db2.gz MKLHWAAGRCQSMU-GOEBONIOSA-N 2 0 313.461 2.069 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267200504 1078660516 /nfs/dbraw/zinc/66/05/16/1078660516.db2.gz CSAOXTRZSYYHCD-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001570822878 1068129235 /nfs/dbraw/zinc/12/92/35/1068129235.db2.gz NBCUZQGURPXLJI-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001571518471 1068381724 /nfs/dbraw/zinc/38/17/24/1068381724.db2.gz FVUZYVQCDNMMSD-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001571566676 1068423717 /nfs/dbraw/zinc/42/37/17/1068423717.db2.gz XRNWWZLSJXGVSM-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001267295257 1078742078 /nfs/dbraw/zinc/74/20/78/1078742078.db2.gz SILUXYVGXSXXGM-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001483698845 1078819349 /nfs/dbraw/zinc/81/93/49/1078819349.db2.gz XHOBGCOEERKJPA-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCC1 ZINC001574897755 1069290092 /nfs/dbraw/zinc/29/00/92/1069290092.db2.gz VLNHSCIZHXOUTO-UHFFFAOYSA-N 2 0 300.406 2.176 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267537413 1078966731 /nfs/dbraw/zinc/96/67/31/1078966731.db2.gz IPTAWRVWVOKESN-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267568718 1079004303 /nfs/dbraw/zinc/00/43/03/1079004303.db2.gz XDAKXXYUEONHPT-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267588064 1079095453 /nfs/dbraw/zinc/09/54/53/1079095453.db2.gz FIDBLOQEASZEPJ-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267590024 1079100349 /nfs/dbraw/zinc/10/03/49/1079100349.db2.gz ORVAXOUNLKSIFZ-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267595262 1079112209 /nfs/dbraw/zinc/11/22/09/1079112209.db2.gz GYLBERKVSBGWFQ-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001483863051 1079157555 /nfs/dbraw/zinc/15/75/55/1079157555.db2.gz KRGJOPATNHHIDB-WBVHZDCISA-N 2 0 307.482 2.357 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001484005601 1079235942 /nfs/dbraw/zinc/23/59/42/1079235942.db2.gz NXCHYSGMINHDNZ-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484107170 1079306691 /nfs/dbraw/zinc/30/66/91/1079306691.db2.gz JEUORDAWGIUVSF-FUHWJXTLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484160429 1079335086 /nfs/dbraw/zinc/33/50/86/1079335086.db2.gz FXIHHYQZQFRFQA-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267657831 1079348320 /nfs/dbraw/zinc/34/83/20/1079348320.db2.gz FVFQUEDUBOGMGV-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001566598749 1075293394 /nfs/dbraw/zinc/29/33/94/1075293394.db2.gz ZLRWCPYKMSDGTF-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001566778518 1075342126 /nfs/dbraw/zinc/34/21/26/1075342126.db2.gz JYGHBGZUNVHCLK-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001566790786 1075345277 /nfs/dbraw/zinc/34/52/77/1075345277.db2.gz YCHCOJBQUREPRH-QAETUUGQSA-N 2 0 307.482 2.451 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001566942550 1075395161 /nfs/dbraw/zinc/39/51/61/1075395161.db2.gz OOVXXFHZEZRTFT-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001567116303 1075435899 /nfs/dbraw/zinc/43/58/99/1075435899.db2.gz MXXJZEKXHPQUIT-IRXDYDNUSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001567126648 1075438313 /nfs/dbraw/zinc/43/83/13/1075438313.db2.gz AZUAUAPTLVMDOR-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567167895 1075450999 /nfs/dbraw/zinc/45/09/99/1075450999.db2.gz RIOARYLMMHBZTL-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267739375 1079433040 /nfs/dbraw/zinc/43/30/40/1079433040.db2.gz CCNMCTWVXWIYJI-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267758992 1079461060 /nfs/dbraw/zinc/46/10/60/1079461060.db2.gz VAEOXJSYUOQWEW-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CCC)CCCC[C@@H]1C ZINC001267873797 1079559584 /nfs/dbraw/zinc/55/95/84/1079559584.db2.gz LTOHRASKNJOXHX-FUHWJXTLSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001267939706 1079620300 /nfs/dbraw/zinc/62/03/00/1079620300.db2.gz SSVHCADLRCQVDQ-GOSISDBHSA-N 2 0 315.461 2.002 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267948219 1079627338 /nfs/dbraw/zinc/62/73/38/1079627338.db2.gz WDAQBWPHBSUFRH-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001484563222 1079662290 /nfs/dbraw/zinc/66/22/90/1079662290.db2.gz LLKWYDTXFGFSKM-MAUKXSAKSA-N 2 0 315.461 2.173 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001484569384 1079667300 /nfs/dbraw/zinc/66/73/00/1079667300.db2.gz CJPMLJJXNXEHIP-KZNAEPCWSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484815110 1079807506 /nfs/dbraw/zinc/80/75/06/1079807506.db2.gz XKZXGESTYMAWER-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485068663 1079945402 /nfs/dbraw/zinc/94/54/02/1079945402.db2.gz GKHPDBBASORVRJ-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268106517 1080077367 /nfs/dbraw/zinc/07/73/67/1080077367.db2.gz UTFBLYFOHFZLEF-SJORKVTESA-N 2 0 307.482 2.003 20 30 DEEDRP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485238565 1080089372 /nfs/dbraw/zinc/08/93/72/1080089372.db2.gz FXYSKHMOPIEHFV-RDHHWEPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001268124222 1080091707 /nfs/dbraw/zinc/09/17/07/1080091707.db2.gz RROXTUPRFWXZQI-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CCCCC1 ZINC001268123452 1080091907 /nfs/dbraw/zinc/09/19/07/1080091907.db2.gz JZXIABAWNGHCPG-SFHVURJKSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001656727592 1080119075 /nfs/dbraw/zinc/11/90/75/1080119075.db2.gz NFNWXHIJSCBTLF-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001268201850 1080186961 /nfs/dbraw/zinc/18/69/61/1080186961.db2.gz ZTBQTBBOPDBCKY-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001485454527 1080215592 /nfs/dbraw/zinc/21/55/92/1080215592.db2.gz CENFAUBLIJDEFX-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253022 1080232526 /nfs/dbraw/zinc/23/25/26/1080232526.db2.gz IOOKMJGDOFEQTN-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001481676977 1080287613 /nfs/dbraw/zinc/28/76/13/1080287613.db2.gz USXGRGRSEUPCIA-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@H](CCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001485790517 1080435955 /nfs/dbraw/zinc/43/59/55/1080435955.db2.gz ANRHPAHJSOJVOW-QGZVFWFLSA-N 2 0 309.498 2.413 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753355 1080441045 /nfs/dbraw/zinc/44/10/45/1080441045.db2.gz SVYNURZWHOJDEC-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH+]1CCC(N(CCC)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001661095177 1080441548 /nfs/dbraw/zinc/44/15/48/1080441548.db2.gz YPERWBYQDBVTDF-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661556193 1080494595 /nfs/dbraw/zinc/49/45/95/1080494595.db2.gz QUEQCOFZAHTFFB-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458210 1080523241 /nfs/dbraw/zinc/52/32/41/1080523241.db2.gz HFDRCUFZPRVERL-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001279169803 1080551493 /nfs/dbraw/zinc/55/14/93/1080551493.db2.gz JGNBGIURDNXHKH-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001481901701 1080595267 /nfs/dbraw/zinc/59/52/67/1080595267.db2.gz IUPZNDDGZHEDGX-UHFFFAOYSA-N 2 0 312.417 2.461 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001481906743 1080596395 /nfs/dbraw/zinc/59/63/95/1080596395.db2.gz QTVAMBRNSZCZJX-AWEZNQCLSA-N 2 0 304.438 2.326 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001664754421 1080956021 /nfs/dbraw/zinc/95/60/21/1080956021.db2.gz CBKINIWEDLQZJE-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001665283915 1081009475 /nfs/dbraw/zinc/00/94/75/1081009475.db2.gz MDIIKRAOHXTBGT-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001665928117 1081098450 /nfs/dbraw/zinc/09/84/50/1081098450.db2.gz CXDPBSHGCLJQMS-SJORKVTESA-N 2 0 317.477 2.045 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001665928115 1081098502 /nfs/dbraw/zinc/09/85/02/1081098502.db2.gz CXDPBSHGCLJQMS-IAGOWNOFSA-N 2 0 317.477 2.045 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001269085655 1081110983 /nfs/dbraw/zinc/11/09/83/1081110983.db2.gz WSHHBBZDICENGQ-KRWDZBQOSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001666211914 1081134243 /nfs/dbraw/zinc/13/42/43/1081134243.db2.gz VQSVLZMVRNGXQP-SFHVURJKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001667584858 1081266433 /nfs/dbraw/zinc/26/64/33/1081266433.db2.gz IFOYWOCAODMSMT-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001667771158 1081288442 /nfs/dbraw/zinc/28/84/42/1081288442.db2.gz PREIWXIOZDCQRD-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001269613598 1081307252 /nfs/dbraw/zinc/30/72/52/1081307252.db2.gz BQMZKBYKCPQJEO-MJGOQNOKSA-N 2 0 319.493 2.169 20 30 DEEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001668431026 1081354075 /nfs/dbraw/zinc/35/40/75/1081354075.db2.gz ONSAZPUTTRPPOB-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001482242979 1081365605 /nfs/dbraw/zinc/36/56/05/1081365605.db2.gz BLQALEMUHOYDOR-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001269838807 1081378740 /nfs/dbraw/zinc/37/87/40/1081378740.db2.gz QVHRJOVPDOLEDD-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001269864482 1081385859 /nfs/dbraw/zinc/38/58/59/1081385859.db2.gz BSLHIHQOVCEXKE-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001269870971 1081386996 /nfs/dbraw/zinc/38/69/96/1081386996.db2.gz ICVVNOUWQIXOBN-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001668994905 1081417254 /nfs/dbraw/zinc/41/72/54/1081417254.db2.gz CUMKIFNLEIRDFT-DVBCCOPCSA-N 2 0 317.477 2.069 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001270066424 1081441456 /nfs/dbraw/zinc/44/14/56/1081441456.db2.gz KFQPWINDAMKORB-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669962098 1081483799 /nfs/dbraw/zinc/48/37/99/1081483799.db2.gz SAMMMTWYSDGXAY-QAPCUYQASA-N 2 0 324.428 2.154 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001671530185 1081521460 /nfs/dbraw/zinc/52/14/60/1081521460.db2.gz HFXFUBRGLHJZTA-DJIMGWMZSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001672234289 1081570336 /nfs/dbraw/zinc/57/03/36/1081570336.db2.gz JQDKGWYZKULNJR-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482383998 1081783830 /nfs/dbraw/zinc/78/38/30/1081783830.db2.gz HJYNCIYUIFYCIZ-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001673625178 1081786291 /nfs/dbraw/zinc/78/62/91/1081786291.db2.gz LWBSGFHFCLULAQ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001673878135 1081806410 /nfs/dbraw/zinc/80/64/10/1081806410.db2.gz NIWQNMGNYFCNDH-DOTOQJQBSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001674343513 1081862219 /nfs/dbraw/zinc/86/22/19/1081862219.db2.gz VKDTWTKCURUPJF-NVXWUHKLSA-N 2 0 307.482 2.073 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001674393046 1081866479 /nfs/dbraw/zinc/86/64/79/1081866479.db2.gz LKLSCYARBOQCAJ-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482480602 1081980367 /nfs/dbraw/zinc/98/03/67/1081980367.db2.gz GZSQUYZJURCBJH-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001423166330 1082044291 /nfs/dbraw/zinc/04/42/91/1082044291.db2.gz LHFJJTVODBRQOV-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271541765 1082076902 /nfs/dbraw/zinc/07/69/02/1082076902.db2.gz YVGPXEIRWOZUBN-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001671491921 1082155283 /nfs/dbraw/zinc/15/52/83/1082155283.db2.gz KXOGSRDLUZCBGS-SFHVURJKSA-N 2 0 321.509 2.299 20 30 DEEDRP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001271891155 1082182104 /nfs/dbraw/zinc/18/21/04/1082182104.db2.gz GYYXYVFNHMOILG-FGTMMUONSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564603 1082201076 /nfs/dbraw/zinc/20/10/76/1082201076.db2.gz SXMIJNXNUBGUAR-NVXWUHKLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001496586764 1082305847 /nfs/dbraw/zinc/30/58/47/1082305847.db2.gz LDWTXECVMLAPPN-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766642 1082331089 /nfs/dbraw/zinc/33/10/89/1082331089.db2.gz IADUIVYDROQCTG-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001272046682 1082332081 /nfs/dbraw/zinc/33/20/81/1082332081.db2.gz YROMLMOGFQTGOA-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001266770285 1082332326 /nfs/dbraw/zinc/33/23/26/1082332326.db2.gz SKGWBHYVOIXBFX-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107454759 1083407197 /nfs/dbraw/zinc/40/71/97/1083407197.db2.gz LZSLSGFORMXBGC-VQIMIIECSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613887 1083520123 /nfs/dbraw/zinc/52/01/23/1083520123.db2.gz DNPIVSRGNRXHEH-IEBWSBKVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107629388 1083537095 /nfs/dbraw/zinc/53/70/95/1083537095.db2.gz CXJDWKQJKCWPTI-YQVWRLOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001276685992 1083548026 /nfs/dbraw/zinc/54/80/26/1083548026.db2.gz ACNDPFNAGJKULD-SFHVURJKSA-N 2 0 319.493 2.169 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643654 1083554727 /nfs/dbraw/zinc/55/47/27/1083554727.db2.gz PSUBKUBDCZQZKF-IEBWSBKVSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001277274345 1083886129 /nfs/dbraw/zinc/88/61/29/1083886129.db2.gz KTQBFOCGWFWSPE-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001277273388 1083888158 /nfs/dbraw/zinc/88/81/58/1083888158.db2.gz DTQLRHBPOYCEMJ-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277393256 1083942781 /nfs/dbraw/zinc/94/27/81/1083942781.db2.gz HWSCEJCWUMUYIA-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235321380 1084385475 /nfs/dbraw/zinc/38/54/75/1084385475.db2.gz UTWJVNDNMCTRQJ-HOTGVXAUSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235631526 1084480791 /nfs/dbraw/zinc/48/07/91/1084480791.db2.gz AGROFNTXAXWEKS-IRXDYDNUSA-N 2 0 316.449 2.026 20 30 DEEDRP C=CCCCCCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236022614 1084592023 /nfs/dbraw/zinc/59/20/23/1084592023.db2.gz LPHYJJGWWMOSIF-NTDBWNAOSA-N 2 0 320.477 2.453 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001078626816 1084771107 /nfs/dbraw/zinc/77/11/07/1084771107.db2.gz UXVUXPSWGRWMRO-HZPDHXFCSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726794 1084832127 /nfs/dbraw/zinc/83/21/27/1084832127.db2.gz XZNRLONQDIGKKJ-HZPDHXFCSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960286023 1085182793 /nfs/dbraw/zinc/18/27/93/1085182793.db2.gz DMTZZOREZRONHA-XWTMOSNGSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CCCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001486411997 1085281534 /nfs/dbraw/zinc/28/15/34/1085281534.db2.gz UIBFVXMZMMGZOK-CVEARBPZSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961350503 1085701312 /nfs/dbraw/zinc/70/13/12/1085701312.db2.gz XJNAFPAPLVDGFV-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC1CC[NH+](C)CC1 ZINC001273038586 1086061828 /nfs/dbraw/zinc/06/18/28/1086061828.db2.gz FWLMUHWUGAYQGV-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CN1CC[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143513 1086681291 /nfs/dbraw/zinc/68/12/91/1086681291.db2.gz HZBIXAWDTHFCLJ-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001273145630 1086981901 /nfs/dbraw/zinc/98/19/01/1086981901.db2.gz DHVWSOTZHDUHGT-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000957279977 1088141975 /nfs/dbraw/zinc/14/19/75/1088141975.db2.gz SPNMXOWBRKUWLE-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114501376 1088178745 /nfs/dbraw/zinc/17/87/45/1088178745.db2.gz AOJBNAYGOQXBAY-FVQHAEBGSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001114502064 1088180199 /nfs/dbraw/zinc/18/01/99/1088180199.db2.gz NFEAHQPLXHTEOF-XWTMOSNGSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079849212 1088472394 /nfs/dbraw/zinc/47/23/94/1088472394.db2.gz QISVJFZGDLHKCB-DJIMGWMZSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082559490 1090006193 /nfs/dbraw/zinc/00/61/93/1090006193.db2.gz GVFXIDXVRDOSNT-DJIMGWMZSA-N 2 0 305.466 2.016 20 30 DEEDRP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001274228067 1091132073 /nfs/dbraw/zinc/13/20/73/1091132073.db2.gz FGLIGMZCDKNOLL-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001274499605 1091272293 /nfs/dbraw/zinc/27/22/93/1091272293.db2.gz WGFWGVSLLLSANU-ZYDHHDLOSA-N 2 0 313.873 2.121 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCCCC2)CC1 ZINC001275038546 1091526485 /nfs/dbraw/zinc/52/64/85/1091526485.db2.gz KFUCHNBLYHRNJP-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001275072011 1091540394 /nfs/dbraw/zinc/54/03/94/1091540394.db2.gz KZOMMZGAGJZKTH-KZNAEPCWSA-N 2 0 315.461 2.275 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001275183583 1091605074 /nfs/dbraw/zinc/60/50/74/1091605074.db2.gz GTSJKYCLQDRNPU-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001273445294 1091768662 /nfs/dbraw/zinc/76/86/62/1091768662.db2.gz LJOAXWURTIISFX-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)c1c(C)cc(C)nc1C ZINC001273541343 1091913431 /nfs/dbraw/zinc/91/34/31/1091913431.db2.gz YNFKUKVWULVFNU-UHFFFAOYSA-N 2 0 301.434 2.424 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001488972952 1092859003 /nfs/dbraw/zinc/85/90/03/1092859003.db2.gz RZUDAVUMGCXINE-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(NC(=O)CCC[NH+](C)C)CCCC[C@@H]1C ZINC001495318824 1093159046 /nfs/dbraw/zinc/15/90/46/1093159046.db2.gz FUFITEZHZLMQLX-WMZOPIPTSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001490586585 1093432720 /nfs/dbraw/zinc/43/27/20/1093432720.db2.gz HUNYVQRIUKCMLN-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C[C@](C)(O)C[NH+]1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001252558386 1093577306 /nfs/dbraw/zinc/57/73/06/1093577306.db2.gz VHWDYAZZYUZFPF-SFHVURJKSA-N 2 0 311.514 2.053 20 30 DEEDRP C=CCCCCC[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399861 1138358348 /nfs/dbraw/zinc/35/83/48/1138358348.db2.gz RIHCNPXSRMHAFR-UHFFFAOYSA-N 2 0 323.525 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001278268685 1138871905 /nfs/dbraw/zinc/87/19/05/1138871905.db2.gz XQBMGTXFMVNSBU-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP CCCCCCCNC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001239307334 1139017463 /nfs/dbraw/zinc/01/74/63/1139017463.db2.gz AMHPOSAFGLCEIF-INIZCTEOSA-N 2 0 312.502 2.282 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001491604052 1140244114 /nfs/dbraw/zinc/24/41/14/1140244114.db2.gz XUEFPGWVRHALAW-ZIAGYGMSSA-N 2 0 301.862 2.096 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491817770 1140318370 /nfs/dbraw/zinc/31/83/70/1140318370.db2.gz VQVFJNPHVNTOPW-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318782883 1140414631 /nfs/dbraw/zinc/41/46/31/1140414631.db2.gz ZHNXSWIJHZSIKA-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001280889346 1140536277 /nfs/dbraw/zinc/53/62/77/1140536277.db2.gz NWGUNBCDOFBIHJ-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001319635044 1140630238 /nfs/dbraw/zinc/63/02/38/1140630238.db2.gz GJGLKPKRKMGLBM-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(C)C)CC(C)C)CC1 ZINC001319642318 1140632428 /nfs/dbraw/zinc/63/24/28/1140632428.db2.gz HDQCGNAKJPQKOY-SFHVURJKSA-N 2 0 321.509 2.108 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246709182 1141040548 /nfs/dbraw/zinc/04/05/48/1141040548.db2.gz SIQNPVWSSXOJRL-LZLYRXPVSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709185 1141040758 /nfs/dbraw/zinc/04/07/58/1141040758.db2.gz SIQNPVWSSXOJRL-RYRKJORJSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321850524 1141355129 /nfs/dbraw/zinc/35/51/29/1141355129.db2.gz ZRAXHAOWNPKORP-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C[NH2+][C@@H](CCCC[NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001247819624 1141534672 /nfs/dbraw/zinc/53/46/72/1141534672.db2.gz DHBULFDMFXTRMF-ZDUSSCGKSA-N 2 0 303.341 2.137 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001322368351 1141543175 /nfs/dbraw/zinc/54/31/75/1141543175.db2.gz BCQRYBVDHDIVCR-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001278495853 1141646302 /nfs/dbraw/zinc/64/63/02/1141646302.db2.gz WLOCNCWWNXEDAQ-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001323358077 1141845523 /nfs/dbraw/zinc/84/55/23/1141845523.db2.gz RFAFPCBWSZLSBI-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001323873580 1141895119 /nfs/dbraw/zinc/89/51/19/1141895119.db2.gz POYOPIQVKSWQMN-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001323980896 1141940753 /nfs/dbraw/zinc/94/07/53/1141940753.db2.gz HTPMVIROHJFZHK-OAHLLOKOSA-N 2 0 309.498 2.462 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001324470897 1142084093 /nfs/dbraw/zinc/08/40/93/1142084093.db2.gz TXWAOXADEZVQBL-MSOLQXFVSA-N 2 0 319.493 2.147 20 30 DEEDRP C[NH+]1CCC(C)(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001338488727 1142858922 /nfs/dbraw/zinc/85/89/22/1142858922.db2.gz OOTXEDJYFUBNAH-UHFFFAOYSA-N 2 0 314.433 2.208 20 30 DEEDRP C#CCCCCCCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164816 1143051095 /nfs/dbraw/zinc/05/10/95/1143051095.db2.gz WUJOTLNZKZAXPB-UHFFFAOYSA-N 2 0 305.470 2.123 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001278911775 1143830423 /nfs/dbraw/zinc/83/04/23/1143830423.db2.gz DYGPGFRQQOZFJD-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC001257214125 1143893766 /nfs/dbraw/zinc/89/37/66/1143893766.db2.gz XWAVESUNQUVXKN-UHFFFAOYSA-N 2 0 323.481 2.483 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001279005847 1143896469 /nfs/dbraw/zinc/89/64/69/1143896469.db2.gz GBTBGBPXMGQULS-KBPBESRZSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001263835141 1144406692 /nfs/dbraw/zinc/40/66/92/1144406692.db2.gz HNRJXIDYMLGOAB-IXDOHACOSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)CC(C)(C)C1 ZINC001264196616 1144506034 /nfs/dbraw/zinc/50/60/34/1144506034.db2.gz HODTYDDFEWIOMO-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001264618926 1144579392 /nfs/dbraw/zinc/57/93/92/1144579392.db2.gz ZFTRSVLGVLUYJT-BBWFWOEESA-N 2 0 307.482 2.099 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001264709377 1144598404 /nfs/dbraw/zinc/59/84/04/1144598404.db2.gz SEAXWFGTTOBLAC-WBVHZDCISA-N 2 0 319.493 2.242 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001264744091 1144604705 /nfs/dbraw/zinc/60/47/05/1144604705.db2.gz IOUXRWNGTXHSQY-IRXDYDNUSA-N 2 0 316.449 2.170 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)Cn2ccnc2)CC1 ZINC001265201109 1144665008 /nfs/dbraw/zinc/66/50/08/1144665008.db2.gz IHNJVINGLJGZJU-HNNXBMFYSA-N 2 0 304.438 2.161 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266010057 1144784785 /nfs/dbraw/zinc/78/47/85/1144784785.db2.gz CYNXQAHENURJHY-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]cn1 ZINC001279567852 1144824820 /nfs/dbraw/zinc/82/48/20/1144824820.db2.gz ZVAOTSGXRMBQTC-IAGOWNOFSA-N 2 0 316.449 2.374 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001281496994 1144893196 /nfs/dbraw/zinc/89/31/96/1144893196.db2.gz DBJBKCJXPIPLLT-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001281893454 1144918305 /nfs/dbraw/zinc/91/83/05/1144918305.db2.gz VODPDYGVXUTTPX-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC/C=C\CC)CC1 ZINC001282497414 1145079877 /nfs/dbraw/zinc/07/98/77/1145079877.db2.gz OFSORSUHFUMLFH-QWPQOLDESA-N 2 0 319.493 2.124 20 30 DEEDRP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001282693788 1145129637 /nfs/dbraw/zinc/12/96/37/1145129637.db2.gz RICGLEWQFVQNKJ-NVXWUHKLSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001282716230 1145142087 /nfs/dbraw/zinc/14/20/87/1145142087.db2.gz HZRGHWSYYDIYIA-CABCVRRESA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001284587820 1145875033 /nfs/dbraw/zinc/87/50/33/1145875033.db2.gz BXUQZQKNFOFHEN-DLBZAZTESA-N 2 0 321.509 2.415 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001284587821 1145875197 /nfs/dbraw/zinc/87/51/97/1145875197.db2.gz BXUQZQKNFOFHEN-IAGOWNOFSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001316633781 1145880649 /nfs/dbraw/zinc/88/06/49/1145880649.db2.gz RTRXZMUSTMXTBQ-XLAORIBOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316642383 1146373887 /nfs/dbraw/zinc/37/38/87/1146373887.db2.gz RPXJIQKRVDPDRL-BRWVUGGUSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001491934472 1147006060 /nfs/dbraw/zinc/00/60/60/1147006060.db2.gz KMDBYGZAHFMQMD-KRWDZBQOSA-N 2 0 324.428 2.202 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001492164979 1147109220 /nfs/dbraw/zinc/10/92/20/1147109220.db2.gz KNTFLJDXYSPPFZ-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316671070 1147114619 /nfs/dbraw/zinc/11/46/19/1147114619.db2.gz QXQNTMVXQOJZAJ-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317044339 1147652341 /nfs/dbraw/zinc/65/23/41/1147652341.db2.gz QOUGQWRATMOALI-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317090126 1147658474 /nfs/dbraw/zinc/65/84/74/1147658474.db2.gz MSEZYLSGXDFLTM-QAQDUYKDSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317173658 1147670735 /nfs/dbraw/zinc/67/07/35/1147670735.db2.gz PWGNMICSBSGMJY-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001317186229 1147673011 /nfs/dbraw/zinc/67/30/11/1147673011.db2.gz KGUOXBPOXUZMHZ-HNNXBMFYSA-N 2 0 319.474 2.027 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001317226794 1147679466 /nfs/dbraw/zinc/67/94/66/1147679466.db2.gz OOIAYONSMZCOFJ-ABHNRTSZSA-N 2 0 319.493 2.290 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317383909 1147700171 /nfs/dbraw/zinc/70/01/71/1147700171.db2.gz IPMIJACBIQZHFA-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317675155 1147742139 /nfs/dbraw/zinc/74/21/39/1147742139.db2.gz KREDXUHKWCPIAZ-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001317723396 1147747394 /nfs/dbraw/zinc/74/73/94/1147747394.db2.gz GNHOHVSAXHGBFG-AEFFLSMTSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324750898 1147839889 /nfs/dbraw/zinc/83/98/89/1147839889.db2.gz JYXHZNOIORTWGH-SFHVURJKSA-N 2 0 312.417 2.271 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325428827 1147906949 /nfs/dbraw/zinc/90/69/49/1147906949.db2.gz NKAWAVAFFURAFT-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001325771707 1147997439 /nfs/dbraw/zinc/99/74/39/1147997439.db2.gz ABRQQHPLNGDYGG-CALCHBBNSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001326349762 1148081933 /nfs/dbraw/zinc/08/19/33/1148081933.db2.gz NWMPUYOHEDLJSG-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361839499 282106876 /nfs/dbraw/zinc/10/68/76/282106876.db2.gz ZJJGLHUPOAAOCP-UHFFFAOYSA-N 2 0 305.397 2.240 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000581720266 357236801 /nfs/dbraw/zinc/23/68/01/357236801.db2.gz BXYPZRAFULQTJB-ZOBUZTSGSA-N 2 0 316.424 2.383 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)nc1 ZINC000591570863 357736783 /nfs/dbraw/zinc/73/67/83/357736783.db2.gz XUMYRZSCYPLSFH-RDJZCZTQSA-N 2 0 313.449 2.029 20 30 DEEDRP COCCC[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602525572 360417470 /nfs/dbraw/zinc/41/74/70/360417470.db2.gz DCAQYQKNEVGODW-INIZCTEOSA-N 2 0 323.481 2.176 20 30 DEEDRP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc1C#N ZINC000443978511 238133579 /nfs/dbraw/zinc/13/35/79/238133579.db2.gz HVRKRRWIERWFKE-GOSISDBHSA-N 2 0 301.434 2.193 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000262436152 203294477 /nfs/dbraw/zinc/29/44/77/203294477.db2.gz SHABTJIPSAPBFI-YESZJQIVSA-N 2 0 307.482 2.189 20 30 DEEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C#N)c1 ZINC000538397940 285034242 /nfs/dbraw/zinc/03/42/42/285034242.db2.gz GGAFISHNPNTZGG-MRXNPFEDSA-N 2 0 300.450 2.236 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000111243243 401703039 /nfs/dbraw/zinc/70/30/39/401703039.db2.gz BOOFITCKMGBLGA-OAHLLOKOSA-N 2 0 304.438 2.333 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000236685964 402374668 /nfs/dbraw/zinc/37/46/68/402374668.db2.gz ZJCWNDAESHKONM-AEFFLSMTSA-N 2 0 307.482 2.191 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000247777484 402575519 /nfs/dbraw/zinc/57/55/19/402575519.db2.gz RASMFLQOEFRPFQ-HOTGVXAUSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000171719976 402614214 /nfs/dbraw/zinc/61/42/14/402614214.db2.gz KSWRFDOZFISBOS-UHFFFAOYSA-N 2 0 322.497 2.199 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000171726594 402614826 /nfs/dbraw/zinc/61/48/26/402614826.db2.gz VUACJQZWZSIETE-MRXNPFEDSA-N 2 0 322.497 2.056 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000183833453 402800988 /nfs/dbraw/zinc/80/09/88/402800988.db2.gz FJRZTNLSVDJFQZ-UHFFFAOYSA-N 2 0 318.465 2.222 20 30 DEEDRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271952624 402887316 /nfs/dbraw/zinc/88/73/16/402887316.db2.gz OVXNMWLVNWXACM-LSDHHAIUSA-N 2 0 318.440 2.231 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cccc1SC ZINC000285161809 403278851 /nfs/dbraw/zinc/27/88/51/403278851.db2.gz SOJSLLFPXJZBEC-GFCCVEGCSA-N 2 0 324.469 2.436 20 30 DEEDRP C#CCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285895358 403405252 /nfs/dbraw/zinc/40/52/52/403405252.db2.gz KCUTYNAAWWFSHA-HXUWFJFHSA-N 2 0 311.473 2.292 20 30 DEEDRP CN(CCC[N@H+](C)Cc1ccc(C#N)c(F)c1)CC[NH+](C)C ZINC000344078867 403894003 /nfs/dbraw/zinc/89/40/03/403894003.db2.gz XRDXIYXGCMWJBZ-UHFFFAOYSA-N 2 0 306.429 2.013 20 30 DEEDRP C=CCOCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000347969153 403983916 /nfs/dbraw/zinc/98/39/16/403983916.db2.gz UAPLQBFJRXDJBT-ROUUACIJSA-N 2 0 309.498 2.070 20 30 DEEDRP CCN1CCc2nc(NC(=O)CCc3ncc[nH]3)sc2C1 ZINC000329227656 404271808 /nfs/dbraw/zinc/27/18/08/404271808.db2.gz BHRODOQNVATHDR-UHFFFAOYSA-N 2 0 305.407 2.465 20 30 DEEDRP C[C@H]1CSCC[N@H+](CC#CC[NH+]2CCSC[C@@H](C)C2)C1 ZINC000342127194 404384577 /nfs/dbraw/zinc/38/45/77/404384577.db2.gz LRIPNMMJESEFSO-IYBDPMFKSA-N 2 0 312.548 2.360 20 30 DEEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414305917 404571620 /nfs/dbraw/zinc/57/16/20/404571620.db2.gz NUVCVERDCLLQBM-QZTJIDSGSA-N 2 0 313.445 2.295 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172702 404700264 /nfs/dbraw/zinc/70/02/64/404700264.db2.gz GHWQJUNIRYBCPY-QGZVFWFLSA-N 2 0 319.493 2.383 20 30 DEEDRP C=C(CC)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000358503159 404765295 /nfs/dbraw/zinc/76/52/95/404765295.db2.gz WYEGFCXENLBURT-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[C@@H]1[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCC1(C)C ZINC000414760258 404726697 /nfs/dbraw/zinc/72/66/97/404726697.db2.gz QDGAUTAKXWCVIY-HOTGVXAUSA-N 2 0 307.482 2.250 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1CC)C(C)C ZINC000353451049 404834300 /nfs/dbraw/zinc/83/43/00/404834300.db2.gz PHJBBUCKYUYRFF-IXDOHACOSA-N 2 0 307.482 2.189 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000424155232 405025272 /nfs/dbraw/zinc/02/52/72/405025272.db2.gz MOKMSWNFNFLBCL-SJORKVTESA-N 2 0 320.481 2.122 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423495161 405826807 /nfs/dbraw/zinc/82/68/07/405826807.db2.gz DYJMKSVVNZMSPO-PKOBYXMFSA-N 2 0 312.461 2.240 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(C[NH+](C)C)c1 ZINC000491568258 406626152 /nfs/dbraw/zinc/62/61/52/406626152.db2.gz PVCCGKKRXMQEHC-QGZVFWFLSA-N 2 0 300.402 2.003 20 30 DEEDRP C[C@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370699752 227056874 /nfs/dbraw/zinc/05/68/74/227056874.db2.gz MGEGHMDWSSMAAX-DLBZAZTESA-N 2 0 306.498 2.274 20 30 DEEDRP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662663005 425705757 /nfs/dbraw/zinc/70/57/57/425705757.db2.gz BPPSARUQZOLWKT-PKOBYXMFSA-N 2 0 313.445 2.075 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000417069958 277851803 /nfs/dbraw/zinc/85/18/03/277851803.db2.gz UXZZSKRUWMNHPA-YESZJQIVSA-N 2 0 322.497 2.125 20 30 DEEDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000181705053 278344701 /nfs/dbraw/zinc/34/47/01/278344701.db2.gz WWDAYUMRAJSODW-MRXNPFEDSA-N 2 0 300.450 2.236 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001378419604 1152322979 /nfs/dbraw/zinc/32/29/79/1152322979.db2.gz YJXKKCCHARTXSE-GOEBONIOSA-N 2 0 313.873 2.098 20 30 DEEDRP C[NH+]=C(NCc1sccc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261947048 526393129 /nfs/dbraw/zinc/39/31/29/526393129.db2.gz GFNROBDVXVZFHH-TZMCWYRMSA-N 2 0 306.479 2.204 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH+]ccc1N)C(C)C ZINC000188082720 527646465 /nfs/dbraw/zinc/64/64/65/527646465.db2.gz WOKKIOOOCNVTDN-INIZCTEOSA-N 2 0 302.422 2.092 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000267475283 529073803 /nfs/dbraw/zinc/07/38/03/529073803.db2.gz ZECDRWOPJDLHPS-BBWFWOEESA-N 2 0 300.450 2.006 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025523274 625499192 /nfs/dbraw/zinc/49/91/92/625499192.db2.gz LCIMEGUMFNENEU-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001026560795 625522761 /nfs/dbraw/zinc/52/27/61/625522761.db2.gz DUJGMHUJUCCOCE-LRVUVFPRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000969156874 622596420 /nfs/dbraw/zinc/59/64/20/622596420.db2.gz JQTLIUJNSDVLOI-CYBMUJFWSA-N 2 0 318.808 2.199 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001020595511 622931278 /nfs/dbraw/zinc/93/12/78/622931278.db2.gz VGEMGZMWDJTJJS-IYARVYRRSA-N 2 0 315.461 2.217 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529119 623522598 /nfs/dbraw/zinc/52/25/98/623522598.db2.gz MIEPRTGFOSPDHJ-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719957 623641660 /nfs/dbraw/zinc/64/16/60/623641660.db2.gz XNMFBHDLQJMMFN-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH2+]C(CC)CC)CC1 ZINC000892851303 625665057 /nfs/dbraw/zinc/66/50/57/625665057.db2.gz GSQILDYALOHKIH-UHFFFAOYSA-N 2 0 310.486 2.104 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664297 623920755 /nfs/dbraw/zinc/92/07/55/623920755.db2.gz GXNHWWHDQWLCHE-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024813326 625066145 /nfs/dbraw/zinc/06/61/45/625066145.db2.gz ZGCGQEPYDFCBEJ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024614572 625933027 /nfs/dbraw/zinc/93/30/27/625933027.db2.gz JDNCHCLHXXLZBI-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634196 625943585 /nfs/dbraw/zinc/94/35/85/625943585.db2.gz SEFQKZKNGSVTHD-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999346311 634567492 /nfs/dbraw/zinc/56/74/92/634567492.db2.gz DEKLDKMVXGDXTN-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999400885 634579466 /nfs/dbraw/zinc/57/94/66/634579466.db2.gz MKCNSQSZPMICST-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000999554544 634625658 /nfs/dbraw/zinc/62/56/58/634625658.db2.gz RIWCTYIMUBAHGY-UHFFFAOYSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCc3nccn32)CC1(C)C ZINC000995896382 633133727 /nfs/dbraw/zinc/13/37/27/633133727.db2.gz NGZCXSGZCXVDHT-CABCVRRESA-N 2 0 316.449 2.163 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995921865 633140967 /nfs/dbraw/zinc/14/09/67/633140967.db2.gz ZAOYERYOBNODGQ-AWEZNQCLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996378071 633250122 /nfs/dbraw/zinc/25/01/22/633250122.db2.gz DFRKXCYJXMIYDW-HZPDHXFCSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974822856 633318624 /nfs/dbraw/zinc/31/86/24/633318624.db2.gz BBZUHYYZVXWXFW-INIZCTEOSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C(C)(C)C1 ZINC000974882545 633351879 /nfs/dbraw/zinc/35/18/79/633351879.db2.gz JYFSZULMIZOAPZ-QGZVFWFLSA-N 2 0 324.428 2.499 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975036475 633392195 /nfs/dbraw/zinc/39/21/95/633392195.db2.gz IROODAYINSVCBI-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975036476 633392285 /nfs/dbraw/zinc/39/22/85/633392285.db2.gz IROODAYINSVCBI-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997083486 633568926 /nfs/dbraw/zinc/56/89/26/633568926.db2.gz KZUOTJVRURHDPE-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997279915 633694688 /nfs/dbraw/zinc/69/46/88/633694688.db2.gz QEXACESKNGETBW-UXLLHSPISA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997433851 633755661 /nfs/dbraw/zinc/75/56/61/633755661.db2.gz KBNCQIASZFLUCZ-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001027437660 633785160 /nfs/dbraw/zinc/78/51/60/633785160.db2.gz CYAFWDMSWZABJM-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027442346 633796090 /nfs/dbraw/zinc/79/60/90/633796090.db2.gz SBRHBHFMXIRFIW-HNNXBMFYSA-N 2 0 313.873 2.146 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001027541625 634060612 /nfs/dbraw/zinc/06/06/12/634060612.db2.gz WGWTVBRDAQWTOH-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893115 634891857 /nfs/dbraw/zinc/89/18/57/634891857.db2.gz NEXVDWZFBBRBOP-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CCN1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913949 634956142 /nfs/dbraw/zinc/95/61/42/634956142.db2.gz QBLPMCBPLPLOPY-OAHLLOKOSA-N 2 0 319.474 2.027 20 30 DEEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027920361 634967228 /nfs/dbraw/zinc/96/72/28/634967228.db2.gz HYGWZTIPVJUREH-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001324749 635463193 /nfs/dbraw/zinc/46/31/93/635463193.db2.gz KMENSACNERWIQS-UHFFFAOYSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098866 635515167 /nfs/dbraw/zinc/51/51/67/635515167.db2.gz XGHVRCQYSIAMKP-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC000981846530 635686271 /nfs/dbraw/zinc/68/62/71/635686271.db2.gz HOPNFXQQYNNWJK-UHFFFAOYSA-N 2 0 322.412 2.124 20 30 DEEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981872062 635702265 /nfs/dbraw/zinc/70/22/65/635702265.db2.gz KUOIJZJFUXHJGH-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893346 635714568 /nfs/dbraw/zinc/71/45/68/635714568.db2.gz DTAGUGPUJARDSG-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982018322 635813653 /nfs/dbraw/zinc/81/36/53/635813653.db2.gz CRBQRMYKRHSIAS-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000982084677 635856857 /nfs/dbraw/zinc/85/68/57/635856857.db2.gz XSUBTRALXWFECT-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230703 635925646 /nfs/dbraw/zinc/92/56/46/635925646.db2.gz QMPNAMOTTCKMBA-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776071 636051849 /nfs/dbraw/zinc/05/18/49/636051849.db2.gz HJVMGZZQEOIRNP-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP 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 636384348 /nfs/dbraw/zinc/38/43/48/636384348.db2.gz HOLHBWNZWPIGJK-YTQUADARSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001004367431 636394602 /nfs/dbraw/zinc/39/46/02/636394602.db2.gz CMXOMSHXNSJOET-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004460047 636459639 /nfs/dbraw/zinc/45/96/39/636459639.db2.gz UHGOIEJMNSWNHM-SFHVURJKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004476671 636465008 /nfs/dbraw/zinc/46/50/08/636465008.db2.gz ZBXCDCQDDIDOOQ-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004618358 636503157 /nfs/dbraw/zinc/50/31/57/636503157.db2.gz VWLWNDRASNNFKS-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001005390857 636730137 /nfs/dbraw/zinc/73/01/37/636730137.db2.gz MQCOKXBRKIETFZ-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005502342 636753532 /nfs/dbraw/zinc/75/35/32/636753532.db2.gz DAYNYCGCMZCQFL-GOSISDBHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845381 636784575 /nfs/dbraw/zinc/78/45/75/636784575.db2.gz JWGQBSLRBMGLID-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946895221 637146368 /nfs/dbraw/zinc/14/63/68/637146368.db2.gz SSXBERIIPVSULL-HDICACEKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006275475 637314435 /nfs/dbraw/zinc/31/44/35/637314435.db2.gz RLHUVABGRGANID-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000764457978 640639253 /nfs/dbraw/zinc/63/92/53/640639253.db2.gz YDRFODMBGMKDSC-UHFFFAOYSA-N 2 0 317.477 2.475 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989107772 640722039 /nfs/dbraw/zinc/72/20/39/640722039.db2.gz BBDJMZSBNXXVDN-JSGCOSHPSA-N 2 0 318.808 2.279 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606743 641168059 /nfs/dbraw/zinc/16/80/59/641168059.db2.gz UKCXEDHPRMFTHE-HUUCEWRRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990767761 641986544 /nfs/dbraw/zinc/98/65/44/641986544.db2.gz YRSXSSAAQXMOLQ-CBZIJGRNSA-N 2 0 305.466 2.016 20 30 DEEDRP C#C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000775574171 642061190 /nfs/dbraw/zinc/06/11/90/642061190.db2.gz NZKKSCGAEHYNNL-SNRMKQJTSA-N 2 0 316.445 2.458 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990785843 642070472 /nfs/dbraw/zinc/07/04/72/642070472.db2.gz AAGRTIVDIBDWMI-VXNCWWDNSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000900159929 642276197 /nfs/dbraw/zinc/27/61/97/642276197.db2.gz SFDFGANZBQTADQ-UHFFFAOYSA-N 2 0 315.461 2.059 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000901026643 642548000 /nfs/dbraw/zinc/54/80/00/642548000.db2.gz VFFCYQYNNXIQFZ-SJLPKXTDSA-N 2 0 315.461 2.274 20 30 DEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779225 643459531 /nfs/dbraw/zinc/45/95/31/643459531.db2.gz WRAYZJKTHKSNMB-SFHVURJKSA-N 2 0 313.445 2.191 20 30 DEEDRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000903988021 643541533 /nfs/dbraw/zinc/54/15/33/643541533.db2.gz MPVMQRHXCITVBK-JKSUJKDBSA-N 2 0 301.438 2.203 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156724 646877613 /nfs/dbraw/zinc/87/76/13/646877613.db2.gz XBIZWEJKSTVAGY-MJGOQNOKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171296 646884890 /nfs/dbraw/zinc/88/48/90/646884890.db2.gz XIOCPELGJNQNCL-LPHOPBHVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992412049 646980398 /nfs/dbraw/zinc/98/03/98/646980398.db2.gz QQIQWLRXKHISLW-QFBILLFUSA-N 2 0 317.477 2.162 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757235 648940397 /nfs/dbraw/zinc/94/03/97/648940397.db2.gz WJFYWXVUXOAQRC-BZUAXINKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942052287 649142879 /nfs/dbraw/zinc/14/28/79/649142879.db2.gz DVUNPHUYXSRTSV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942173940 649174712 /nfs/dbraw/zinc/17/47/12/649174712.db2.gz SNSJYXRTVHIOCO-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942821181 649289373 /nfs/dbraw/zinc/28/93/73/649289373.db2.gz CVXFVFWIOKPLHR-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2cccc(F)c2)CC1 ZINC000304741448 685259028 /nfs/dbraw/zinc/25/90/28/685259028.db2.gz CDNCQWQFILJVOU-INIZCTEOSA-N 2 0 318.440 2.246 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145484 693861562 /nfs/dbraw/zinc/86/15/62/693861562.db2.gz QRLGNRWDMBLVFH-MJGOQNOKSA-N 2 0 319.493 2.217 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC1CCCCC1 ZINC000303791185 685235744 /nfs/dbraw/zinc/23/57/44/685235744.db2.gz XDFGNCLEFKXVLF-HNNXBMFYSA-N 2 0 310.486 2.114 20 30 DEEDRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303878307 685236814 /nfs/dbraw/zinc/23/68/14/685236814.db2.gz FXOULFSJMGIGGW-GJZGRUSLSA-N 2 0 312.527 2.108 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CC1 ZINC000303896145 685238728 /nfs/dbraw/zinc/23/87/28/685238728.db2.gz UHKQMRFZKFYWKN-MRXNPFEDSA-N 2 0 318.440 2.246 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001054724341 694032867 /nfs/dbraw/zinc/03/28/67/694032867.db2.gz UGUFWKOZCTWEMM-DZGCQCFKSA-N 2 0 321.490 2.436 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1CCC(C#N)CC1 ZINC000930062749 694081651 /nfs/dbraw/zinc/08/16/51/694081651.db2.gz YHTBNGHCPXLAOF-QEXNXIHPSA-N 2 0 305.466 2.500 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001054969219 694084469 /nfs/dbraw/zinc/08/44/69/694084469.db2.gz PBASFCJARDESST-TZMCWYRMSA-N 2 0 313.873 2.050 20 30 DEEDRP C[NH+](C)C[C@@H]1CN(c2c(Cl)cccc2C#N)C[C@H]1C[NH+](C)C ZINC000866013025 687409038 /nfs/dbraw/zinc/40/90/38/687409038.db2.gz ZZWBATHFZJNZPC-HUUCEWRRSA-N 2 0 320.868 2.387 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796656 687425254 /nfs/dbraw/zinc/42/52/54/687425254.db2.gz ZGCDGJGOBLLKTD-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930912 687470173 /nfs/dbraw/zinc/47/01/73/687470173.db2.gz WCECKUSTNRZRMP-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000930310920 694133732 /nfs/dbraw/zinc/13/37/32/694133732.db2.gz UBPCEDHWSUNXQB-UHFFFAOYSA-N 2 0 313.445 2.414 20 30 DEEDRP C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC[NH2+]1 ZINC000873221446 689186809 /nfs/dbraw/zinc/18/68/09/689186809.db2.gz KMHQSPBJEPYFLQ-GJZGRUSLSA-N 2 0 316.424 2.207 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032710541 689232744 /nfs/dbraw/zinc/23/27/44/689232744.db2.gz GBBWNIKTPXWOFW-ROUUACIJSA-N 2 0 319.493 2.358 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577082 689549253 /nfs/dbraw/zinc/54/92/53/689549253.db2.gz ZEAMEPOLQBINOA-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034211802 689764503 /nfs/dbraw/zinc/76/45/03/689764503.db2.gz OPVJFGCBMRJEDM-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034241468 689777904 /nfs/dbraw/zinc/77/79/04/689777904.db2.gz XVZGZXVPZINEHI-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034284957 689794766 /nfs/dbraw/zinc/79/47/66/689794766.db2.gz AIVQUAQJPQYAMB-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309571 689804895 /nfs/dbraw/zinc/80/48/95/689804895.db2.gz MRJNVSMUBYWXHW-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034369787 689826182 /nfs/dbraw/zinc/82/61/82/689826182.db2.gz VFDWHKWNHMTMTJ-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000876717498 689914073 /nfs/dbraw/zinc/91/40/73/689914073.db2.gz GPIIUOQZYAQHGT-KGLIPLIRSA-N 2 0 303.878 2.329 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000876709261 689911795 /nfs/dbraw/zinc/91/17/95/689911795.db2.gz NHGIACFLTFNXJQ-HZPDHXFCSA-N 2 0 323.868 2.438 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000876723542 689916373 /nfs/dbraw/zinc/91/63/73/689916373.db2.gz DPRRECGCRQVRFN-CVEARBPZSA-N 2 0 321.852 2.410 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001034670178 689923603 /nfs/dbraw/zinc/92/36/03/689923603.db2.gz HLBZBKZNNHCMIT-QAQDUYKDSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035189185 690054807 /nfs/dbraw/zinc/05/48/07/690054807.db2.gz XHUFXHAIPLCRBS-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035226933 690066076 /nfs/dbraw/zinc/06/60/76/690066076.db2.gz PATZGZWRYJYZGZ-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035227640 690066508 /nfs/dbraw/zinc/06/65/08/690066508.db2.gz TYMNALCQARWMDK-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035732563 690162937 /nfs/dbraw/zinc/16/29/37/690162937.db2.gz DZDJDWVYFUWQHA-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035750699 690167918 /nfs/dbraw/zinc/16/79/18/690167918.db2.gz RZTGDUDRHWNUKN-UHFFFAOYSA-N 2 0 310.401 2.058 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035857981 690194776 /nfs/dbraw/zinc/19/47/76/690194776.db2.gz DMNQLSABFXZXFE-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001036090628 690258065 /nfs/dbraw/zinc/25/80/65/690258065.db2.gz IQEGEVCSDLESLH-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820900 690486803 /nfs/dbraw/zinc/48/68/03/690486803.db2.gz QLNAPZIDMKSXMQ-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001037886945 690633166 /nfs/dbraw/zinc/63/31/66/690633166.db2.gz VKYGMOXANGORMT-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP CCN(CCC#N)C(=O)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702669 690709984 /nfs/dbraw/zinc/70/99/84/690709984.db2.gz ULPPYKBPAAWHCU-UHFFFAOYSA-N 2 0 322.497 2.048 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038554552 690855726 /nfs/dbraw/zinc/85/57/26/690855726.db2.gz GOUCUBSBNDEESM-QGZVFWFLSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039116099 691023835 /nfs/dbraw/zinc/02/38/35/691023835.db2.gz QLYFZTQBXNSLQD-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173039 691039171 /nfs/dbraw/zinc/03/91/71/691039171.db2.gz LOPGHZVZDMIQJP-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039321847 691081374 /nfs/dbraw/zinc/08/13/74/691081374.db2.gz UEJPJRPOQTZXHG-XYTVBORESA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001039385929 691094943 /nfs/dbraw/zinc/09/49/43/691094943.db2.gz ODCYQGTXAJEEAR-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039424290 691103501 /nfs/dbraw/zinc/10/35/01/691103501.db2.gz KDQXQHNCSPWPGH-FJIDUMEYSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001039437573 691105610 /nfs/dbraw/zinc/10/56/10/691105610.db2.gz OTDHBDJIRABHFL-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040236203 691217328 /nfs/dbraw/zinc/21/73/28/691217328.db2.gz JUFXROZJWAHPSD-GOSISDBHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040836563 691291652 /nfs/dbraw/zinc/29/16/52/691291652.db2.gz SLBHPMQDINLRHJ-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041275614 691354178 /nfs/dbraw/zinc/35/41/78/691354178.db2.gz GBJQCGNZBIJDBT-PKOBYXMFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358898 691366725 /nfs/dbraw/zinc/36/67/25/691366725.db2.gz RGHINESMZAACDA-IEBWSBKVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041429453 691374157 /nfs/dbraw/zinc/37/41/57/691374157.db2.gz VPPUBPUJCCHNEJ-LJQANCHMSA-N 2 0 324.428 2.367 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041844630 691444131 /nfs/dbraw/zinc/44/41/31/691444131.db2.gz BIQHNEFQGFVNGE-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845722 691444300 /nfs/dbraw/zinc/44/43/00/691444300.db2.gz OSICJIRNLLDNEF-MJGOQNOKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000883189038 691452985 /nfs/dbraw/zinc/45/29/85/691452985.db2.gz XABYVWRMEYQYRR-NZSAHSFTSA-N 2 0 321.509 2.258 20 30 DEEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027094 691986769 /nfs/dbraw/zinc/98/67/69/691986769.db2.gz CBVLCTSWUAOURW-IRXDYDNUSA-N 2 0 305.466 2.095 20 30 DEEDRP C#CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](C)CC1 ZINC000886578963 692116228 /nfs/dbraw/zinc/11/62/28/692116228.db2.gz SEUXCZAJYAKFHW-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050543761 693204639 /nfs/dbraw/zinc/20/46/39/693204639.db2.gz LMJYKNRQYSQSIL-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001050688820 693232894 /nfs/dbraw/zinc/23/28/94/693232894.db2.gz CTIPGFVTGGVYSZ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663509 693591534 /nfs/dbraw/zinc/59/15/34/693591534.db2.gz SYPXFKGQXNNRRT-HNNXBMFYSA-N 2 0 305.422 2.112 20 30 DEEDRP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001479843709 1150890923 /nfs/dbraw/zinc/89/09/23/1150890923.db2.gz JWRKIUBQJUTWRH-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001380077543 1152746602 /nfs/dbraw/zinc/74/66/02/1152746602.db2.gz QLEWMNVXURKMKL-KBPBESRZSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001382359027 1153434870 /nfs/dbraw/zinc/43/48/70/1153434870.db2.gz VQOJHAQHORAALM-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001382359017 1153434901 /nfs/dbraw/zinc/43/49/01/1153434901.db2.gz VQOJHAQHORAALM-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001390608003 1155813162 /nfs/dbraw/zinc/81/31/62/1155813162.db2.gz HNMBJEHLJZNVGE-ZIAGYGMSSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001391859368 1156817728 /nfs/dbraw/zinc/81/77/28/1156817728.db2.gz APCIQUGMLNZRFQ-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001376911706 1159843659 /nfs/dbraw/zinc/84/36/59/1159843659.db2.gz NWGWGVXWQVFVSZ-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001377661344 1160687800 /nfs/dbraw/zinc/68/78/00/1160687800.db2.gz XTVKDGLAXGKNJU-CQSZACIVSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001399375166 1161368067 /nfs/dbraw/zinc/36/80/67/1161368067.db2.gz KODNRLUGHYSRGM-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001420129177 1169182385 /nfs/dbraw/zinc/18/23/85/1169182385.db2.gz FORHWARMBKRWTN-ZDUSSCGKSA-N 2 0 303.878 2.201 20 30 DEEDRP N#Cc1cccc([C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001434477517 1178631636 /nfs/dbraw/zinc/63/16/36/1178631636.db2.gz CIXFMZOZFXIMGC-LJQANCHMSA-N 2 0 322.412 2.199 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001437391663 1179777644 /nfs/dbraw/zinc/77/76/44/1179777644.db2.gz XUTBNECLCOCORR-GFCCVEGCSA-N 2 0 320.824 2.493 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001444531457 1183435656 /nfs/dbraw/zinc/43/56/56/1183435656.db2.gz BUFIDYCNILWXHP-ZDUSSCGKSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850102 790272877 /nfs/dbraw/zinc/27/28/77/790272877.db2.gz RAIKXTLBYMWIFG-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C[NH+]=C(NCC1CCOCC1)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000176351454 782353576 /nfs/dbraw/zinc/35/35/76/782353576.db2.gz ULFSOACZNUTSCS-QAPCUYQASA-N 2 0 324.513 2.089 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106432203 782710559 /nfs/dbraw/zinc/71/05/59/782710559.db2.gz PPGQHOBEFPKXNB-GDBMZVCRSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633219 782820486 /nfs/dbraw/zinc/82/04/86/782820486.db2.gz DQZRXMYWVZKSSQ-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660088 782837892 /nfs/dbraw/zinc/83/78/92/782837892.db2.gz AISPFSVOHWOHKR-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497990 783154172 /nfs/dbraw/zinc/15/41/72/783154172.db2.gz MXZBWZBTSQPVKM-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538783 783193551 /nfs/dbraw/zinc/19/35/51/783193551.db2.gz FZMALIMAULKBAS-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947617378 783190828 /nfs/dbraw/zinc/19/08/28/783190828.db2.gz XXMFUGICZJWSHM-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167425506 777019308 /nfs/dbraw/zinc/01/93/08/777019308.db2.gz GYLLULXTHGLRSG-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397000 777660436 /nfs/dbraw/zinc/66/04/36/777660436.db2.gz BJZYPVPDPTVTGH-QZTJIDSGSA-N 2 0 308.466 2.154 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104665981 778006908 /nfs/dbraw/zinc/00/69/08/778006908.db2.gz JUUDNLZRSGZMJP-KZNAEPCWSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104939337 778266552 /nfs/dbraw/zinc/26/65/52/778266552.db2.gz LZOYTYIVKHUOSV-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167741948 778310965 /nfs/dbraw/zinc/31/09/65/778310965.db2.gz DGXALLODHRKMHE-IAGOWNOFSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171121537 790693347 /nfs/dbraw/zinc/69/33/47/790693347.db2.gz UTLBTGYURLMHGY-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593318 779367738 /nfs/dbraw/zinc/36/77/38/779367738.db2.gz BCQNYUDCIHWZSF-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087619848 779380964 /nfs/dbraw/zinc/38/09/64/779380964.db2.gz HMAZNDVNUKDWQC-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725441 779425004 /nfs/dbraw/zinc/42/50/04/779425004.db2.gz OZYTYNXUHIMMTL-YESZJQIVSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781247 779448154 /nfs/dbraw/zinc/44/81/54/779448154.db2.gz YOXKYXBFKJJSHD-ZWKOTPCHSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088326641 779958191 /nfs/dbraw/zinc/95/81/91/779958191.db2.gz UKFFMYXQGKERMP-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168137010 780210687 /nfs/dbraw/zinc/21/06/87/780210687.db2.gz KYHVGCSJDCTQLX-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567374 780493771 /nfs/dbraw/zinc/49/37/71/780493771.db2.gz JTRAFSVGVLYFNP-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101037776 780961521 /nfs/dbraw/zinc/96/15/21/780961521.db2.gz WSAKIPOONIOKEO-DAWZGUTISA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600767 781215136 /nfs/dbraw/zinc/21/51/36/781215136.db2.gz UMXNAWSQHJZRPI-IXDOHACOSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C[C@@H]1C ZINC000947941215 783274820 /nfs/dbraw/zinc/27/48/20/783274820.db2.gz ZGHHGPXAQJIKGQ-LSDHHAIUSA-N 2 0 316.449 2.306 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364334 783439626 /nfs/dbraw/zinc/43/96/26/783439626.db2.gz DLPNQCUXQSFNHF-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205551 783905350 /nfs/dbraw/zinc/90/53/50/783905350.db2.gz LFRSVFKDCAHSSE-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085783044 784074381 /nfs/dbraw/zinc/07/43/81/784074381.db2.gz LMPLFIMDZSHCLE-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876253 784166000 /nfs/dbraw/zinc/16/60/00/784166000.db2.gz VYEVDWCIFBYHTA-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086087242 784396958 /nfs/dbraw/zinc/39/69/58/784396958.db2.gz UDSGGHJMOVGMJA-YESZJQIVSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086105461 784409545 /nfs/dbraw/zinc/40/95/45/784409545.db2.gz OOLVDZBXWMXNQV-ZACQAIPSSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674340 784533722 /nfs/dbraw/zinc/53/37/22/784533722.db2.gz QOYDULJCZYJLII-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968849693 784616862 /nfs/dbraw/zinc/61/68/62/784616862.db2.gz DDGBFYWHFWMCBE-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968916035 784648756 /nfs/dbraw/zinc/64/87/56/784648756.db2.gz XAAVJPPEFCHBCH-CABCVRRESA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247583 791123038 /nfs/dbraw/zinc/12/30/38/791123038.db2.gz MKYSYJCVSCUEQI-ZFWWWQNUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109718407 785995248 /nfs/dbraw/zinc/99/52/48/785995248.db2.gz GNQSECKGZLLKBV-YVSFHVDLSA-N 2 0 305.466 2.016 20 30 DEEDRP 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 786087912 /nfs/dbraw/zinc/08/79/12/786087912.db2.gz LMRWYKSIKNYYQM-VSZNYVQBSA-N 2 0 319.493 2.098 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533337 786125247 /nfs/dbraw/zinc/12/52/47/786125247.db2.gz HKTMOXCGYFHPIQ-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112910939 786290842 /nfs/dbraw/zinc/29/08/42/786290842.db2.gz MNONZHRQAHRIFY-HZPDHXFCSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146522 786417753 /nfs/dbraw/zinc/41/77/53/786417753.db2.gz FRNQOBZXXMWFET-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001113348581 786540510 /nfs/dbraw/zinc/54/05/10/786540510.db2.gz SPPLHCXLPLLXHK-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014430818 786584270 /nfs/dbraw/zinc/58/42/70/786584270.db2.gz HHTJCLNQHXQKMR-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001113486803 786631711 /nfs/dbraw/zinc/63/17/11/786631711.db2.gz CJZFMMTYLLTUKB-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001113677843 786755324 /nfs/dbraw/zinc/75/53/24/786755324.db2.gz SMPBROTXLRDYCS-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597476 787131482 /nfs/dbraw/zinc/13/14/82/787131482.db2.gz SDOWFUUFVOXOTR-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001132366169 788041377 /nfs/dbraw/zinc/04/13/77/788041377.db2.gz XHYBLUDEIRSWDH-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097398822 788084739 /nfs/dbraw/zinc/08/47/39/788084739.db2.gz MFYBGMIJUZAUPC-OLMNPRSZSA-N 2 0 322.412 2.001 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493994 788104504 /nfs/dbraw/zinc/10/45/04/788104504.db2.gz OYCUOGZDJDAMAD-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524094 788113053 /nfs/dbraw/zinc/11/30/53/788113053.db2.gz CZOIMPBUVHZMCK-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549731 788127597 /nfs/dbraw/zinc/12/75/97/788127597.db2.gz YSFPTPHHQQAVJR-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133069123 788272803 /nfs/dbraw/zinc/27/28/03/788272803.db2.gz OWJBINYNINOHIP-IRXDYDNUSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133084480 788276808 /nfs/dbraw/zinc/27/68/08/788276808.db2.gz STSBWDZDSWYNEX-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121761 788287435 /nfs/dbraw/zinc/28/74/35/788287435.db2.gz KZCCXBPCCGAPPL-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133262107 788339081 /nfs/dbraw/zinc/33/90/81/788339081.db2.gz GRDSAGVPRDLLJT-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100601 789198344 /nfs/dbraw/zinc/19/83/44/789198344.db2.gz DRLJONCTWFMVNO-HOTGVXAUSA-N 2 0 317.477 2.463 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103178 789199739 /nfs/dbraw/zinc/19/97/39/789199739.db2.gz XJZNNYKNFOUHGE-IAGOWNOFSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001135769220 789481280 /nfs/dbraw/zinc/48/12/80/789481280.db2.gz VDOTVUUROJCFOQ-UHFFFAOYSA-N 2 0 301.434 2.016 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071607424 789810315 /nfs/dbraw/zinc/81/03/15/789810315.db2.gz PIYBROLOGUPWHP-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651456 789841861 /nfs/dbraw/zinc/84/18/61/789841861.db2.gz IWBPXWJZUPLNQF-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735991 789897295 /nfs/dbraw/zinc/89/72/95/789897295.db2.gz WAVMXOAWYDJHHH-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957592 789987751 /nfs/dbraw/zinc/98/77/51/789987751.db2.gz KVFUHWHPLNNBJO-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C)CC1 ZINC001146610400 791323260 /nfs/dbraw/zinc/32/32/60/791323260.db2.gz JAJUMIWEHRMCJR-SJORKVTESA-N 2 0 321.509 2.251 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCC)CC1 ZINC001146614610 791324236 /nfs/dbraw/zinc/32/42/36/791324236.db2.gz ZATWKJJADDXXMT-DLBZAZTESA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001146706533 791343838 /nfs/dbraw/zinc/34/38/38/791343838.db2.gz GKXRXGSVXJFETE-DLBZAZTESA-N 2 0 315.461 2.015 20 30 DEEDRP 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 791700975 /nfs/dbraw/zinc/70/09/75/791700975.db2.gz FOZJVGDOXYVDFN-MTNOOBJLSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148277658 791728253 /nfs/dbraw/zinc/72/82/53/791728253.db2.gz JZNINVPRXFCDBH-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148605947 791775046 /nfs/dbraw/zinc/77/50/46/791775046.db2.gz YLNCMVPPMQRLGB-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086929051 791859411 /nfs/dbraw/zinc/85/94/11/791859411.db2.gz VMPAUVBJRWONIO-DLBZAZTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098945060 791994659 /nfs/dbraw/zinc/99/46/59/791994659.db2.gz RUITUTIDKOUCJG-LPHOPBHVSA-N 2 0 324.428 2.495 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099111320 792100579 /nfs/dbraw/zinc/10/05/79/792100579.db2.gz YSHPXVGEYAMZFV-MRXNPFEDSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671788 792108827 /nfs/dbraw/zinc/10/88/27/792108827.db2.gz PJUSZRVKELXKCL-FGTMMUONSA-N 2 0 321.509 2.225 20 30 DEEDRP 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 792223282 /nfs/dbraw/zinc/22/32/82/792223282.db2.gz LSQFXHIRZBYPPA-QAETUUGQSA-N 2 0 319.493 2.072 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527852 792230971 /nfs/dbraw/zinc/23/09/71/792230971.db2.gz DNNPUBAHBAUBCV-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100377946 792620089 /nfs/dbraw/zinc/62/00/89/792620089.db2.gz PQNQMNZAVHXQDQ-GPANFISMSA-N 2 0 313.461 2.117 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403406 792632305 /nfs/dbraw/zinc/63/23/05/792632305.db2.gz MSSDGSMXIBYGCE-CGZBRXJRSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100563651 792721958 /nfs/dbraw/zinc/72/19/58/792721958.db2.gz QKDHTGQBHCAITH-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848543 792881679 /nfs/dbraw/zinc/88/16/79/792881679.db2.gz RABSTETZEWTPNT-ABHNRTSZSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094449730 792929284 /nfs/dbraw/zinc/92/92/84/792929284.db2.gz VGFAJIQMEZXILI-ZHALLVOQSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037191 792978396 /nfs/dbraw/zinc/97/83/96/792978396.db2.gz CONNFHMVFPACMP-OFLPRAFFSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418312 793149695 /nfs/dbraw/zinc/14/96/95/793149695.db2.gz LKTPMNLGFZCJAO-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496040 793634134 /nfs/dbraw/zinc/63/41/34/793634134.db2.gz AFHTWYBIHXKQEE-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001103060283 793920027 /nfs/dbraw/zinc/92/00/27/793920027.db2.gz DWLBHDFUNDVDQG-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378782 794063922 /nfs/dbraw/zinc/06/39/22/794063922.db2.gz KNDAWOAUXIPHFC-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438592 794091649 /nfs/dbraw/zinc/09/16/49/794091649.db2.gz RRDHDIIHVVLLRS-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174929702 794094357 /nfs/dbraw/zinc/09/43/57/794094357.db2.gz SVNZLMHFOSKCMF-OAHLLOKOSA-N 2 0 319.449 2.243 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273781 794165745 /nfs/dbraw/zinc/16/57/45/794165745.db2.gz WCACFFNHGBVIAA-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103642885 794175243 /nfs/dbraw/zinc/17/52/43/794175243.db2.gz AHGPVHUQWPZRGQ-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc(C)[nH+]1 ZINC001176055315 794348593 /nfs/dbraw/zinc/34/85/93/794348593.db2.gz DEXVNSHOYMBVLB-UHFFFAOYSA-N 2 0 321.428 2.487 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176738760 794483547 /nfs/dbraw/zinc/48/35/47/794483547.db2.gz TWANDBDTSOOZDI-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001112448076 794637865 /nfs/dbraw/zinc/63/78/65/794637865.db2.gz BOKVAZYUMBTFKE-LPHOPBHVSA-N 2 0 324.428 2.352 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001112447481 794638686 /nfs/dbraw/zinc/63/86/86/794638686.db2.gz ZPMDWXSXCLLOMD-WMZOPIPTSA-N 2 0 317.477 2.019 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115591860 794831709 /nfs/dbraw/zinc/83/17/09/794831709.db2.gz IOTAJQQLUXKAQF-CQSZACIVSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001115591943 794831907 /nfs/dbraw/zinc/83/19/07/794831907.db2.gz LVCCGRVXGIPUNH-IAGOWNOFSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692339 794881841 /nfs/dbraw/zinc/88/18/41/794881841.db2.gz OCKLKWHDCALECN-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502345 794935703 /nfs/dbraw/zinc/93/57/03/794935703.db2.gz MJHOJQRYPGHMLL-QGZVFWFLSA-N 2 0 307.482 2.171 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179133823 795067089 /nfs/dbraw/zinc/06/70/89/795067089.db2.gz BLRLMUYYCTVLLB-SFHVURJKSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179134876 795067192 /nfs/dbraw/zinc/06/71/92/795067192.db2.gz UMAJXYVLWZCWSM-KRWDZBQOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409930 795115414 /nfs/dbraw/zinc/11/54/14/795115414.db2.gz SPFIQEPLACRRDD-QAETUUGQSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001179746493 795170713 /nfs/dbraw/zinc/17/07/13/795170713.db2.gz VOZNAGLMORRIQC-QGZVFWFLSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179891994 795191661 /nfs/dbraw/zinc/19/16/61/795191661.db2.gz LXCHMRPZTRIXKF-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041321 795396981 /nfs/dbraw/zinc/39/69/81/795396981.db2.gz OGPHRIZVVNIJKF-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001120196273 795420423 /nfs/dbraw/zinc/42/04/23/795420423.db2.gz CYNDRYKGQPQVRY-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422805 795456141 /nfs/dbraw/zinc/45/61/41/795456141.db2.gz OOKWSGCSVJOJNF-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440480 795461220 /nfs/dbraw/zinc/46/12/20/795461220.db2.gz NQPNALDTCRJFKS-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181728873 795526483 /nfs/dbraw/zinc/52/64/83/795526483.db2.gz RTOUZFDHWCNMAB-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001120834842 795540464 /nfs/dbraw/zinc/54/04/64/795540464.db2.gz OCXHEXVMDJAGAO-OIJFSCQUSA-N 2 0 319.493 2.452 20 30 DEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001182917527 795781974 /nfs/dbraw/zinc/78/19/74/795781974.db2.gz MGOAABIVRVTUQE-IEBWSBKVSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183164860 795824636 /nfs/dbraw/zinc/82/46/36/795824636.db2.gz BZIKGVIKTNBHCC-ZIFCJYIRSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609852 796093894 /nfs/dbraw/zinc/09/38/94/796093894.db2.gz WJPUSUPJCILKFV-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185170487 796202427 /nfs/dbraw/zinc/20/24/27/796202427.db2.gz PWIMLBFHQFSJDS-JKSUJKDBSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229353 796217872 /nfs/dbraw/zinc/21/78/72/796217872.db2.gz BYVDPUHVIKHIRZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185260652 796224603 /nfs/dbraw/zinc/22/46/03/796224603.db2.gz MCDMFKVQWHKXAP-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185348547 796235752 /nfs/dbraw/zinc/23/57/52/796235752.db2.gz QLQDOSZFONALPN-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185359975 796238611 /nfs/dbraw/zinc/23/86/11/796238611.db2.gz MTETYYXCFIZBQU-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921719 796602753 /nfs/dbraw/zinc/60/27/53/796602753.db2.gz TVLYPKJXHSOOFH-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971342 796609009 /nfs/dbraw/zinc/60/90/09/796609009.db2.gz JEFPMUYSZBHNKK-WNRNVDISSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188246357 796643443 /nfs/dbraw/zinc/64/34/43/796643443.db2.gz JRUAYQHKUHYUGI-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001205415682 796737549 /nfs/dbraw/zinc/73/75/49/796737549.db2.gz HARCQTZRCAYUBK-UHFFFAOYSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205416107 796747976 /nfs/dbraw/zinc/74/79/76/796747976.db2.gz YXMBFWUPXQIQFU-MRXNPFEDSA-N 2 0 313.461 2.071 20 30 DEEDRP CSc1nc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1C#N ZINC001205571376 797266250 /nfs/dbraw/zinc/26/62/50/797266250.db2.gz TXTKUDKEXJNRMF-OAHLLOKOSA-N 2 0 308.426 2.328 20 30 DEEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153400616 797334469 /nfs/dbraw/zinc/33/44/69/797334469.db2.gz QPEMNAFVYQNLJR-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167951 797477426 /nfs/dbraw/zinc/47/74/26/797477426.db2.gz WPTYWZNZQUIYHB-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001156305733 797971125 /nfs/dbraw/zinc/97/11/25/797971125.db2.gz GLYZYGQBNHKFAB-QZTJIDSGSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C)CC1 ZINC001157092404 798142475 /nfs/dbraw/zinc/14/24/75/798142475.db2.gz WSNCXWGEFBINQM-QGZVFWFLSA-N 2 0 319.493 2.124 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197149575 798155098 /nfs/dbraw/zinc/15/50/98/798155098.db2.gz BLSKISAWGXKURQ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)C[C@@H](C)n1ccnc1CC ZINC001158420654 798404373 /nfs/dbraw/zinc/40/43/73/798404373.db2.gz JISXRTKUWAQKGJ-CYBMUJFWSA-N 2 0 312.845 2.245 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158473383 798412881 /nfs/dbraw/zinc/41/28/81/798412881.db2.gz KRLLUPHDTPUIMB-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)c1sccc1C[NH+](C)C ZINC001159155673 798530577 /nfs/dbraw/zinc/53/05/77/798530577.db2.gz SLNIKLXTOQHHBA-UHFFFAOYSA-N 2 0 309.479 2.485 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907926 798624028 /nfs/dbraw/zinc/62/40/28/798624028.db2.gz FNSJHCUJJFXDEB-OAHLLOKOSA-N 2 0 313.873 2.242 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201043745 798709998 /nfs/dbraw/zinc/70/99/98/798709998.db2.gz IEGXTJAHVXYAFD-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804349 798742539 /nfs/dbraw/zinc/74/25/39/798742539.db2.gz HINREIXNVIVXGB-UHFFFAOYSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161704579 798917083 /nfs/dbraw/zinc/91/70/83/798917083.db2.gz DDVWYCSWBYYTBA-QGZVFWFLSA-N 2 0 305.466 2.043 20 30 DEEDRP 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 798953945 /nfs/dbraw/zinc/95/39/45/798953945.db2.gz YHKRSZMWTAQFPM-NCOADZHNSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531830 799618430 /nfs/dbraw/zinc/61/84/30/799618430.db2.gz UCVBXCASJLNBFT-SJORKVTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165776594 799772957 /nfs/dbraw/zinc/77/29/57/799772957.db2.gz PTWKLPZKTMHXLB-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959696 799797558 /nfs/dbraw/zinc/79/75/58/799797558.db2.gz XHTNTJJYQMAOQY-VQHPVUNQSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001166407670 799867390 /nfs/dbraw/zinc/86/73/90/799867390.db2.gz APRMKCKEEUKLHD-ZIAGYGMSSA-N 2 0 304.438 2.280 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736262 799936324 /nfs/dbraw/zinc/93/63/24/799936324.db2.gz GJOQHGFYGJWWBD-UHFFFAOYSA-N 2 0 323.868 2.253 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167043407 800015312 /nfs/dbraw/zinc/01/53/12/800015312.db2.gz CSAOUKCTDRTWQF-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203342231 800038898 /nfs/dbraw/zinc/03/88/98/800038898.db2.gz YWBDAGLCPCSQSF-DLBZAZTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203614437 800090319 /nfs/dbraw/zinc/09/03/19/800090319.db2.gz JFDRCPKGNJOEEX-HOTGVXAUSA-N 2 0 317.477 2.065 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242739 800329119 /nfs/dbraw/zinc/32/91/19/800329119.db2.gz TWSLRLIIMQVFOF-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205519129 800367387 /nfs/dbraw/zinc/36/73/87/800367387.db2.gz WOGPMDDHUUMARC-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205752062 800413973 /nfs/dbraw/zinc/41/39/73/800413973.db2.gz UNNJCFOCJOWCKH-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205768676 800416338 /nfs/dbraw/zinc/41/63/38/800416338.db2.gz SLWBUSFTGHKTML-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001206948063 800638557 /nfs/dbraw/zinc/63/85/57/800638557.db2.gz TULDNKKHJKOLCV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396025 800743826 /nfs/dbraw/zinc/74/38/26/800743826.db2.gz AQADEDKQIILFQN-MOPGFXCFSA-N 2 0 322.493 2.402 20 30 DEEDRP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435039 800750858 /nfs/dbraw/zinc/75/08/58/800750858.db2.gz DWDVFTHQNRXUFZ-GOSISDBHSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207488044 800765755 /nfs/dbraw/zinc/76/57/55/800765755.db2.gz CWIFYALXCHAEKN-MRXNPFEDSA-N 2 0 309.454 2.095 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790379 800834216 /nfs/dbraw/zinc/83/42/16/800834216.db2.gz RFCCBXUZKKOORZ-NVXWUHKLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014490 800893515 /nfs/dbraw/zinc/89/35/15/800893515.db2.gz QRXJUPNUTBHXHK-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328337 800955536 /nfs/dbraw/zinc/95/55/36/800955536.db2.gz CQVMMISKIYLYKT-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001208459908 800987188 /nfs/dbraw/zinc/98/71/88/800987188.db2.gz MIOFHRKPFZYTCC-MRXNPFEDSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCOC(=O)N1CCC2(CN(C[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208604133 801026970 /nfs/dbraw/zinc/02/69/70/801026970.db2.gz LDNVKXZVQDDNFH-INIZCTEOSA-N 2 0 321.465 2.049 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759820 801064835 /nfs/dbraw/zinc/06/48/35/801064835.db2.gz VGEWGRQUFMNGBF-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208769936 801065278 /nfs/dbraw/zinc/06/52/78/801065278.db2.gz NBDLWNBZCOHNCZ-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209267494 801162621 /nfs/dbraw/zinc/16/26/21/801162621.db2.gz RIOMXBYJAUSMAA-RTBURBONSA-N 2 0 313.445 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565660 801220630 /nfs/dbraw/zinc/22/06/30/801220630.db2.gz GVAYBLVEQWGRRO-ZACQAIPSSA-N 2 0 309.498 2.365 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230575829 801424932 /nfs/dbraw/zinc/42/49/32/801424932.db2.gz QVYYCJOBSRTXDM-QGZVFWFLSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211125925 801516058 /nfs/dbraw/zinc/51/60/58/801516058.db2.gz LFIFWRSPEMBGFT-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211241637 801535673 /nfs/dbraw/zinc/53/56/73/801535673.db2.gz VHZURSFXOORSCH-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211261842 801539645 /nfs/dbraw/zinc/53/96/45/801539645.db2.gz DULSPLYNIDTZLR-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335975 801704672 /nfs/dbraw/zinc/70/46/72/801704672.db2.gz PJEMYWJJUXWQCZ-ZACQAIPSSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001215026326 801792254 /nfs/dbraw/zinc/79/22/54/801792254.db2.gz FCLQTNPNWJKMTF-CXAGYDPISA-N 2 0 312.417 2.269 20 30 DEEDRP CNc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc[nH+]1 ZINC001216334945 801964409 /nfs/dbraw/zinc/96/44/09/801964409.db2.gz FPQBVWBINXBBKS-UHFFFAOYSA-N 2 0 322.416 2.490 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1N1CC[NH2+]CC1 ZINC001218454794 802186430 /nfs/dbraw/zinc/18/64/30/802186430.db2.gz BYDXKNTUQBRZKM-NVXWUHKLSA-N 2 0 301.434 2.172 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444905 802574880 /nfs/dbraw/zinc/57/48/80/802574880.db2.gz SBRSCVHIRKHLCR-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028918 803191150 /nfs/dbraw/zinc/19/11/50/803191150.db2.gz SWILRJRMEXTIPW-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227184455 803213552 /nfs/dbraw/zinc/21/35/52/803213552.db2.gz JJTBTSVFVCKKNW-IAGOWNOFSA-N 2 0 316.449 2.111 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001227211289 803216404 /nfs/dbraw/zinc/21/64/04/803216404.db2.gz COZYLYMYHCLDCB-QZTJIDSGSA-N 2 0 324.428 2.297 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001227381534 803235815 /nfs/dbraw/zinc/23/58/15/803235815.db2.gz VODPUXDFZJFPJA-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227868563 803290390 /nfs/dbraw/zinc/29/03/90/803290390.db2.gz VIDCYUNHAMXSSN-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001228113345 803321407 /nfs/dbraw/zinc/32/14/07/803321407.db2.gz LLQVQHAXRMPZHS-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001330915977 1149332632 /nfs/dbraw/zinc/33/26/32/1149332632.db2.gz LTCANWVPTQENTM-WMLDXEAASA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001370092978 1149386565 /nfs/dbraw/zinc/38/65/65/1149386565.db2.gz MDPBAKSNFVVCJZ-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001368411643 1148437716 /nfs/dbraw/zinc/43/77/16/1148437716.db2.gz WYGAPMUSTAUHPE-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001328766719 1148833268 /nfs/dbraw/zinc/83/32/68/1148833268.db2.gz TVMMBHGGAAEYRZ-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001499936462 1058389408 /nfs/dbraw/zinc/38/94/08/1058389408.db2.gz ZZKNIEWEBOTGBZ-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001500088058 1058483885 /nfs/dbraw/zinc/48/38/85/1058483885.db2.gz IPLQPURUOKYUDC-IAGOWNOFSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462546057 1058847637 /nfs/dbraw/zinc/84/76/37/1058847637.db2.gz KEMOVUGEBPPUCW-QRQLOZEOSA-N 2 0 300.446 2.261 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001500547103 1058916302 /nfs/dbraw/zinc/91/63/02/1058916302.db2.gz ODKHAIVPFBGWPM-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001501625362 1059582774 /nfs/dbraw/zinc/58/27/74/1059582774.db2.gz IOLOHTCMRSKDHU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501637228 1059594110 /nfs/dbraw/zinc/59/41/10/1059594110.db2.gz FETWOJDGHUJLBZ-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001502124230 1059964442 /nfs/dbraw/zinc/96/44/42/1059964442.db2.gz NMKNHWYUFHLNOM-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001502406877 1060117396 /nfs/dbraw/zinc/11/73/96/1060117396.db2.gz VOAITMARXMPEOZ-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001505431456 1060583289 /nfs/dbraw/zinc/58/32/89/1060583289.db2.gz WCWMGPQZWKBWHG-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001505473812 1060643483 /nfs/dbraw/zinc/64/34/83/1060643483.db2.gz YQRZAKBHKFYSPV-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613551 1061519467 /nfs/dbraw/zinc/51/94/67/1061519467.db2.gz NEZDYSPEIZNUAH-DJIMGWMZSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001479739756 1061668925 /nfs/dbraw/zinc/66/89/25/1061668925.db2.gz LCSSOLJPTDZZRM-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001506489101 1062036347 /nfs/dbraw/zinc/03/63/47/1062036347.db2.gz OHYQXZFXOCNCAQ-QZTJIDSGSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001506517217 1062069673 /nfs/dbraw/zinc/06/96/73/1062069673.db2.gz MSSLYOAQUZGMPF-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001506559029 1062129150 /nfs/dbraw/zinc/12/91/50/1062129150.db2.gz NRSOXYJKDDWILZ-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480089215 1062311360 /nfs/dbraw/zinc/31/13/60/1062311360.db2.gz QJPJSGBORSVPIL-QGZVFWFLSA-N 2 0 309.498 2.465 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001480140014 1062376579 /nfs/dbraw/zinc/37/65/79/1062376579.db2.gz HPXDANOINOVPKG-IHRRRGAJSA-N 2 0 324.856 2.386 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001480372465 1062732407 /nfs/dbraw/zinc/73/24/07/1062732407.db2.gz KWWUTZWZIXLRHV-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387878 1062779143 /nfs/dbraw/zinc/77/91/43/1062779143.db2.gz UVSVOZNXXWVCNR-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001507962465 1063478603 /nfs/dbraw/zinc/47/86/03/1063478603.db2.gz UZXBQOOQMVGRFS-IRXDYDNUSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCCC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001508119587 1063565018 /nfs/dbraw/zinc/56/50/18/1063565018.db2.gz DBSAVXFBJOQFBU-UHFFFAOYSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493157700 1063609439 /nfs/dbraw/zinc/60/94/39/1063609439.db2.gz AECBPWJVDOKJIB-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001508219267 1063615087 /nfs/dbraw/zinc/61/50/87/1063615087.db2.gz DRFCDLICGSHNCE-INIZCTEOSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001493213105 1063643739 /nfs/dbraw/zinc/64/37/39/1063643739.db2.gz HYVFFZKVFVWDCU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493969365 1064049339 /nfs/dbraw/zinc/04/93/39/1064049339.db2.gz ZPXLKGNUWBLAIR-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494165236 1064152613 /nfs/dbraw/zinc/15/26/13/1064152613.db2.gz CQHIXRKSOMJEPT-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001494196064 1064167950 /nfs/dbraw/zinc/16/79/50/1064167950.db2.gz NZINURUGHUYCDU-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001567445478 1064203223 /nfs/dbraw/zinc/20/32/23/1064203223.db2.gz ZZQPUMIOZISHRA-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567660104 1064325417 /nfs/dbraw/zinc/32/54/17/1064325417.db2.gz SYXORBPJIYUMGD-IRXDYDNUSA-N 2 0 301.434 2.104 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001567665999 1064327630 /nfs/dbraw/zinc/32/76/30/1064327630.db2.gz PTYRBEIWRFHGSG-QZTJIDSGSA-N 2 0 315.461 2.043 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001567665998 1064329554 /nfs/dbraw/zinc/32/95/54/1064329554.db2.gz PTYRBEIWRFHGSG-MSOLQXFVSA-N 2 0 315.461 2.043 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567687860 1064346506 /nfs/dbraw/zinc/34/65/06/1064346506.db2.gz ATUPWDZPUWAEJN-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567699521 1064357044 /nfs/dbraw/zinc/35/70/44/1064357044.db2.gz MMKXQCXMMWSNDF-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567713201 1064370923 /nfs/dbraw/zinc/37/09/23/1064370923.db2.gz YSYMDTXNZROACL-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001568393093 1064833541 /nfs/dbraw/zinc/83/35/41/1064833541.db2.gz CWSBHAJJQGEYHW-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001568412280 1064849576 /nfs/dbraw/zinc/84/95/76/1064849576.db2.gz QFKXBEPGMVCPCZ-SJORKVTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001568435411 1064869934 /nfs/dbraw/zinc/86/99/34/1064869934.db2.gz YIVYKGUALWRTSC-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001568501496 1064914968 /nfs/dbraw/zinc/91/49/68/1064914968.db2.gz OBPDDOKWKAOWJC-QGZVFWFLSA-N 2 0 303.450 2.256 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C1CCCCC1 ZINC001496327522 1065409790 /nfs/dbraw/zinc/40/97/90/1065409790.db2.gz UQPRXFQWCSQZJC-KRWDZBQOSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001496443830 1065473907 /nfs/dbraw/zinc/47/39/07/1065473907.db2.gz IOLSVTJFJIUHFP-ZBFHGGJFSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001569437037 1065506439 /nfs/dbraw/zinc/50/64/39/1065506439.db2.gz OUOJPGIEQJCARB-SFHVURJKSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001569436385 1065507613 /nfs/dbraw/zinc/50/76/13/1065507613.db2.gz HPXHBNAZPWQMGU-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001569651636 1065651585 /nfs/dbraw/zinc/65/15/85/1065651585.db2.gz UHBYQGUZXZQFEN-SFHVURJKSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCCn2ccnc2)C1 ZINC001569726147 1065692166 /nfs/dbraw/zinc/69/21/66/1065692166.db2.gz MAYGZFFFGPTFDJ-SFHVURJKSA-N 2 0 318.465 2.458 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001496890115 1065779534 /nfs/dbraw/zinc/77/95/34/1065779534.db2.gz JLSOYEJIKVWWRC-IAGOWNOFSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570013574 1065881142 /nfs/dbraw/zinc/88/11/42/1065881142.db2.gz NFNJJEUHABUVNE-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCC1 ZINC001570123346 1065933002 /nfs/dbraw/zinc/93/30/02/1065933002.db2.gz QHNJYKZNKYCFLA-QGZVFWFLSA-N 2 0 315.461 2.494 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570198595 1065970235 /nfs/dbraw/zinc/97/02/35/1065970235.db2.gz DUVCMLGONUOVAN-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001498284005 1066614040 /nfs/dbraw/zinc/61/40/40/1066614040.db2.gz RMNYWHICCCYCFM-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498409607 1066687657 /nfs/dbraw/zinc/68/76/57/1066687657.db2.gz SCFDUEYNXVVMSJ-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498487421 1066739477 /nfs/dbraw/zinc/73/94/77/1066739477.db2.gz GHZLBVZGOYYHDQ-IRXDYDNUSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001498905333 1066949740 /nfs/dbraw/zinc/94/97/40/1066949740.db2.gz ZXNFRXDOGNFPFU-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001499709766 1067307231 /nfs/dbraw/zinc/30/72/31/1067307231.db2.gz PVFLWPANBGHTHR-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]cn2)[C@@H](C)C1 ZINC001499834828 1067353318 /nfs/dbraw/zinc/35/33/18/1067353318.db2.gz KFDXUAXYTNYZHU-LSDHHAIUSA-N 2 0 304.438 2.278 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267047396 1078526959 /nfs/dbraw/zinc/52/69/59/1078526959.db2.gz NDQRWETZPLTKDB-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483438908 1078533671 /nfs/dbraw/zinc/53/36/71/1078533671.db2.gz VXWNAQBHSNZIOG-SJORKVTESA-N 2 0 319.493 2.313 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001580049459 1067481838 /nfs/dbraw/zinc/48/18/38/1067481838.db2.gz RQUBIYJXOVLVSC-INIZCTEOSA-N 2 0 320.481 2.170 20 30 DEEDRP N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001580078344 1067491382 /nfs/dbraw/zinc/49/13/82/1067491382.db2.gz VJPCAGFEAAPDDZ-GZBFAFLISA-N 2 0 300.362 2.026 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001483446922 1078539049 /nfs/dbraw/zinc/53/90/49/1078539049.db2.gz DSKOCIWXPLLKEK-ROUUACIJSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001570534993 1067991369 /nfs/dbraw/zinc/99/13/69/1067991369.db2.gz UQDJFDRGOSGCRC-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001570682805 1068066244 /nfs/dbraw/zinc/06/62/44/1068066244.db2.gz DRLXPIUTRHIWRI-INIZCTEOSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001571048696 1068176913 /nfs/dbraw/zinc/17/69/13/1068176913.db2.gz HVEKHLIRRYIKBO-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001571049216 1068177672 /nfs/dbraw/zinc/17/76/72/1068177672.db2.gz RTPNOWWWNANEGK-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001571367416 1068253104 /nfs/dbraw/zinc/25/31/04/1068253104.db2.gz IREPFUIIDWJDEZ-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267293329 1078739187 /nfs/dbraw/zinc/73/91/87/1078739187.db2.gz QKIMOHASDFMUPK-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001267334012 1078772604 /nfs/dbraw/zinc/77/26/04/1078772604.db2.gz UVRGZZQPUDNJJC-SJORKVTESA-N 2 0 305.466 2.160 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001329256347 1148878645 /nfs/dbraw/zinc/87/86/45/1148878645.db2.gz BQXXSJSJTKFNGO-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001574852418 1069277838 /nfs/dbraw/zinc/27/78/38/1069277838.db2.gz SGQNIOXPEHPECG-CHWSQXEVSA-N 2 0 311.813 2.003 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CCC[NH2+]1 ZINC001574892349 1069287905 /nfs/dbraw/zinc/28/79/05/1069287905.db2.gz AUFBXEBRAGSFPM-FAFZWHIHSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001267492398 1078916991 /nfs/dbraw/zinc/91/69/91/1078916991.db2.gz UVXOJKZBTSOLBR-MRXNPFEDSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566534199 1072619147 /nfs/dbraw/zinc/61/91/47/1072619147.db2.gz JMAAHWJCDZLQOH-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001267507064 1078936281 /nfs/dbraw/zinc/93/62/81/1078936281.db2.gz DSYVPCSGHGHVCP-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)CCc1c[nH]cn1)c1ccccc1 ZINC001267518914 1078948741 /nfs/dbraw/zinc/94/87/41/1078948741.db2.gz AKASXZQGLVXLDE-QGZVFWFLSA-N 2 0 312.417 2.366 20 30 DEEDRP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001483800906 1079129234 /nfs/dbraw/zinc/12/92/34/1079129234.db2.gz FDXRHJNKDABBBF-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001483816164 1079138986 /nfs/dbraw/zinc/13/89/86/1079138986.db2.gz QTQUFYDVABFSAX-CRAIPNDOSA-N 2 0 319.493 2.216 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001484002318 1079237697 /nfs/dbraw/zinc/23/76/97/1079237697.db2.gz URYGMZLCOHXIPN-ROUUACIJSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001484002317 1079238085 /nfs/dbraw/zinc/23/80/85/1079238085.db2.gz URYGMZLCOHXIPN-QZTJIDSGSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001484002315 1079238292 /nfs/dbraw/zinc/23/82/92/1079238292.db2.gz URYGMZLCOHXIPN-MSOLQXFVSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484055970 1079275798 /nfs/dbraw/zinc/27/57/98/1079275798.db2.gz YHBKIJQWUZWPSD-SFHVURJKSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001565864304 1075200430 /nfs/dbraw/zinc/20/04/30/1075200430.db2.gz OGGSMCQLEWDPEX-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001267683641 1079371825 /nfs/dbraw/zinc/37/18/25/1079371825.db2.gz SHCZTCSTLRLCOX-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001566719544 1075326328 /nfs/dbraw/zinc/32/63/28/1075326328.db2.gz LOSAMGGJJDRSDQ-XIRDDKMYSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001566732282 1075328261 /nfs/dbraw/zinc/32/82/61/1075328261.db2.gz AFDONSHUZFBIEN-ZWKOTPCHSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001566745383 1075332692 /nfs/dbraw/zinc/33/26/92/1075332692.db2.gz LNECJXGNJOCXMR-QGZVFWFLSA-N 2 0 309.498 2.465 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955384 1075398638 /nfs/dbraw/zinc/39/86/38/1075398638.db2.gz LTVMFILLBCJNTL-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484394872 1079584161 /nfs/dbraw/zinc/58/41/61/1079584161.db2.gz OMEXUAXQCYDRHE-QAQDUYKDSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484547680 1079654846 /nfs/dbraw/zinc/65/48/46/1079654846.db2.gz SNIRNEPDWZPGSM-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001481337846 1079731711 /nfs/dbraw/zinc/73/17/11/1079731711.db2.gz PIMILWMXZBSUSA-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481405576 1079793764 /nfs/dbraw/zinc/79/37/64/1079793764.db2.gz JHIFNDNJTAJZAA-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001268045847 1079935202 /nfs/dbraw/zinc/93/52/02/1079935202.db2.gz KTTWOZSXYMTZBO-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001485080171 1079970223 /nfs/dbraw/zinc/97/02/23/1079970223.db2.gz RRPLGUWAMUYAGD-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001656219160 1080068286 /nfs/dbraw/zinc/06/82/86/1080068286.db2.gz FATOKQBALGVSQX-ZOBUZTSGSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001656899966 1080136339 /nfs/dbraw/zinc/13/63/39/1080136339.db2.gz WSNZWPNRWMUSAG-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657044113 1080149448 /nfs/dbraw/zinc/14/94/48/1080149448.db2.gz OKUFANYOOZZPIE-SQNIBIBYSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001657076273 1080152531 /nfs/dbraw/zinc/15/25/31/1080152531.db2.gz VBVATEIDKAOMII-ROUUACIJSA-N 2 0 321.509 2.443 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253024 1080233181 /nfs/dbraw/zinc/23/31/81/1080233181.db2.gz IOOKMJGDOFEQTN-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253023 1080233300 /nfs/dbraw/zinc/23/33/00/1080233300.db2.gz IOOKMJGDOFEQTN-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001268280944 1080259554 /nfs/dbraw/zinc/25/95/54/1080259554.db2.gz OSZIXMRIACSOLE-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001485540015 1080286005 /nfs/dbraw/zinc/28/60/05/1080286005.db2.gz PVDIDFAWNFFPNY-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001480083935 1151584652 /nfs/dbraw/zinc/58/46/52/1151584652.db2.gz IKPBHIBTTUHKOU-QZTJIDSGSA-N 2 0 321.509 2.301 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001485627041 1080340036 /nfs/dbraw/zinc/34/00/36/1080340036.db2.gz DQGWPUQHPZBHGN-NNZMDNLPSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001481747089 1080429996 /nfs/dbraw/zinc/42/99/96/1080429996.db2.gz LSKWWSVPAPAXON-ZWKOTPCHSA-N 2 0 315.461 2.398 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001661213410 1080457102 /nfs/dbraw/zinc/45/71/02/1080457102.db2.gz QZWFTENJBWRERX-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001661455074 1080482675 /nfs/dbraw/zinc/48/26/75/1080482675.db2.gz GDYNKMXUNDBRPL-WKILWMFISA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001661977885 1080554107 /nfs/dbraw/zinc/55/41/07/1080554107.db2.gz PUKGSHGSCZKSEE-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001662727355 1080642365 /nfs/dbraw/zinc/64/23/65/1080642365.db2.gz GTORDUGKUIONHG-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001481963482 1080648185 /nfs/dbraw/zinc/64/81/85/1080648185.db2.gz LBOMAYOVIOJVBO-PKOBYXMFSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+]C[C@]1(NC(=O)Cc2c[nH]cn2)CCCC[C@@H]1C ZINC001481961793 1080652696 /nfs/dbraw/zinc/65/26/96/1080652696.db2.gz OCLWPQTZDQCRDV-WMLDXEAASA-N 2 0 304.438 2.183 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001662838847 1080665749 /nfs/dbraw/zinc/66/57/49/1080665749.db2.gz KMAHNMQUXGQRPV-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001482017239 1080690932 /nfs/dbraw/zinc/69/09/32/1080690932.db2.gz WXUFRMDNDNKWPE-WKILWMFISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268577438 1080802356 /nfs/dbraw/zinc/80/23/56/1080802356.db2.gz UTSZDIZYZYABRK-CMDGGOBGSA-N 2 0 307.482 2.337 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001482158861 1080867611 /nfs/dbraw/zinc/86/76/11/1080867611.db2.gz IDUAVRYMWFNICA-SJLPKXTDSA-N 2 0 315.461 2.045 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001664467190 1080913740 /nfs/dbraw/zinc/91/37/40/1080913740.db2.gz GPCAOFBIQICRHB-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001664599519 1080931623 /nfs/dbraw/zinc/93/16/23/1080931623.db2.gz SHEMCDWOYPDXOW-FUHWJXTLSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001664726394 1080950023 /nfs/dbraw/zinc/95/00/23/1080950023.db2.gz JUEHXAUUWQICTH-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001664873638 1080974910 /nfs/dbraw/zinc/97/49/10/1080974910.db2.gz JAEUOBFHOYBKFA-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001666379682 1081149011 /nfs/dbraw/zinc/14/90/11/1081149011.db2.gz USTOGWORUTXTCR-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001667302379 1081235062 /nfs/dbraw/zinc/23/50/62/1081235062.db2.gz WRUXIQABFRRBDB-AEFFLSMTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269754863 1081357590 /nfs/dbraw/zinc/35/75/90/1081357590.db2.gz HGFMFWVNNLYOGQ-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001270042175 1081437124 /nfs/dbraw/zinc/43/71/24/1081437124.db2.gz NZTLTQOKKCCKDL-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001270042173 1081437237 /nfs/dbraw/zinc/43/72/37/1081437237.db2.gz NZTLTQOKKCCKDL-BZSNNMDCSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001669208783 1081438654 /nfs/dbraw/zinc/43/86/54/1081438654.db2.gz VXCIHAGDATVQKW-FOSCPCJNSA-N 2 0 313.873 2.121 20 30 DEEDRP C#CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC)CC1 ZINC001270358660 1081508755 /nfs/dbraw/zinc/50/87/55/1081508755.db2.gz LXNIEYRVNAHCDG-WMZOPIPTSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCC1 ZINC001671555391 1081523300 /nfs/dbraw/zinc/52/33/00/1081523300.db2.gz ZCIULVRCIXFSIG-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001270784829 1081712488 /nfs/dbraw/zinc/71/24/88/1081712488.db2.gz FZLPJWHREPFQKE-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001672994627 1081729288 /nfs/dbraw/zinc/72/92/88/1081729288.db2.gz HZUBCDPPJVOBNC-IYARVYRRSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111406889 1081817846 /nfs/dbraw/zinc/81/78/46/1081817846.db2.gz FNOVQQOCNZTZGM-MLHJIOFPSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001673993321 1081822768 /nfs/dbraw/zinc/82/27/68/1081822768.db2.gz IWUCYAXPXAAHRU-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001266468214 1082056869 /nfs/dbraw/zinc/05/68/69/1082056869.db2.gz MDQYOJAHURUDDS-IRXDYDNUSA-N 2 0 316.449 2.074 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266513974 1082094920 /nfs/dbraw/zinc/09/49/20/1082094920.db2.gz JTJRODFFMVJMTI-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+](C)CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001482506594 1082128619 /nfs/dbraw/zinc/12/86/19/1082128619.db2.gz DYHXNSQLCYSKMS-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266565385 1082163121 /nfs/dbraw/zinc/16/31/21/1082163121.db2.gz WAHYFNLORVEYJV-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001271839038 1082169602 /nfs/dbraw/zinc/16/96/02/1082169602.db2.gz PVLPNZRXKBOLAC-FUHWJXTLSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001271861122 1082175292 /nfs/dbraw/zinc/17/52/92/1082175292.db2.gz MCSWTMRSHXMFEU-MRXNPFEDSA-N 2 0 300.406 2.173 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001266592760 1082180341 /nfs/dbraw/zinc/18/03/41/1082180341.db2.gz ZOTFRKTXASWSFM-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001482563800 1082233572 /nfs/dbraw/zinc/23/35/72/1082233572.db2.gz YIXQZGLLKCZDGY-GOSISDBHSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266640480 1082240912 /nfs/dbraw/zinc/24/09/12/1082240912.db2.gz WCRAKNBQUSZGND-ULQDDVLXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167476702 1082342675 /nfs/dbraw/zinc/34/26/75/1082342675.db2.gz FCRWECLOIRBKQL-MRXNPFEDSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266889007 1082431818 /nfs/dbraw/zinc/43/18/18/1082431818.db2.gz AOCPVEYMPIOXIT-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482661963 1082441209 /nfs/dbraw/zinc/44/12/09/1082441209.db2.gz IEBNBCSMCSWSET-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001272085418 1082447803 /nfs/dbraw/zinc/44/78/03/1082447803.db2.gz NUQLSERRWLTMDN-JKSUJKDBSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001272092762 1082464950 /nfs/dbraw/zinc/46/49/50/1082464950.db2.gz INUKJVWLTKOTFJ-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001283297353 1082470215 /nfs/dbraw/zinc/47/02/15/1082470215.db2.gz XZTLMYSIBMIIOA-WBVHZDCISA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483051706 1082663788 /nfs/dbraw/zinc/66/37/88/1082663788.db2.gz XCLUFWLZGALBLQ-DVBCCOPCSA-N 2 0 317.477 2.069 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001276672480 1083543412 /nfs/dbraw/zinc/54/34/12/1083543412.db2.gz IQRSQZDQSOLJIJ-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001276887129 1083664947 /nfs/dbraw/zinc/66/49/47/1083664947.db2.gz VLZVIMMHAQLCSP-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281557293 1084086675 /nfs/dbraw/zinc/08/66/75/1084086675.db2.gz OKNFZJMSVOMYBB-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001491561425 1084156362 /nfs/dbraw/zinc/15/63/62/1084156362.db2.gz VUUUIGQAYRDKQP-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235340325 1084398566 /nfs/dbraw/zinc/39/85/66/1084398566.db2.gz ZKMVBFSBRXERRW-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001078768856 1084864232 /nfs/dbraw/zinc/86/42/32/1084864232.db2.gz XNPMERWCJOQEHK-SJORKVTESA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001485883188 1084960610 /nfs/dbraw/zinc/96/06/10/1084960610.db2.gz PGACAAKCHCSPLU-ZDUSSCGKSA-N 2 0 309.479 2.436 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001486412003 1085282872 /nfs/dbraw/zinc/28/28/72/1085282872.db2.gz UIBFVXMZMMGZOK-HZPDHXFCSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494159714 1085369744 /nfs/dbraw/zinc/36/97/44/1085369744.db2.gz MICQMKMZLHJHHX-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000965424720 1085603696 /nfs/dbraw/zinc/60/36/96/1085603696.db2.gz PECOMWHWKYBEIY-HGWOHTHGSA-N 2 0 317.477 2.206 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961216961 1085640951 /nfs/dbraw/zinc/64/09/51/1085640951.db2.gz BPMNSNIXNKUAFZ-ZWKOTPCHSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273128106 1086289783 /nfs/dbraw/zinc/28/97/83/1086289783.db2.gz NLJNXFQNTSEBCX-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417579 1086447871 /nfs/dbraw/zinc/44/78/71/1086447871.db2.gz NXTXQIBUGDEVFH-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH+](CC)CC1 ZINC001273145810 1086994199 /nfs/dbraw/zinc/99/41/99/1086994199.db2.gz YPMXXAALWNYQAL-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079845150 1088445775 /nfs/dbraw/zinc/44/57/75/1088445775.db2.gz OJGSXOPPEYSQTG-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602596 1088450859 /nfs/dbraw/zinc/45/08/59/1088450859.db2.gz ASJTUQGTIMBXEY-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052707 1088585412 /nfs/dbraw/zinc/58/54/12/1088585412.db2.gz OMZQWJHYFDBIAN-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001080998848 1089272435 /nfs/dbraw/zinc/27/24/35/1089272435.db2.gz PVSOXTHUIMWKES-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082699759 1090054926 /nfs/dbraw/zinc/05/49/26/1090054926.db2.gz WJUKRNHTHLLZNG-KBAYOESNSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701374 1090403048 /nfs/dbraw/zinc/40/30/48/1090403048.db2.gz ASJMSOSWMONJIV-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853359 1090476673 /nfs/dbraw/zinc/47/66/73/1090476673.db2.gz KJZLZUOPLXKEKD-KURKYZTESA-N 2 0 319.493 2.216 20 30 DEEDRP 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 1090531880 /nfs/dbraw/zinc/53/18/80/1090531880.db2.gz OWVWFAFZPOEXBK-TVFCKZIOSA-N 2 0 319.493 2.216 20 30 DEEDRP 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 1090547240 /nfs/dbraw/zinc/54/72/40/1090547240.db2.gz UZKVXSVNBYWYMT-ANQUJSFKSA-N 2 0 314.433 2.012 20 30 DEEDRP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001274368525 1091210228 /nfs/dbraw/zinc/21/02/28/1091210228.db2.gz PPFLOAFXWKBQRO-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274919763 1091478312 /nfs/dbraw/zinc/47/83/12/1091478312.db2.gz QTWMZAKPHXCZAV-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP C#Cc1cccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001276096352 1091548221 /nfs/dbraw/zinc/54/82/21/1091548221.db2.gz HORXEXSTJACDKN-UHFFFAOYSA-N 2 0 311.473 2.127 20 30 DEEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](CC4CC4)C[C@H]3CC2)cc1C#N ZINC001275137158 1091579716 /nfs/dbraw/zinc/57/97/16/1091579716.db2.gz QHCNZYYPMYFPRD-HDICACEKSA-N 2 0 312.461 2.451 20 30 DEEDRP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001275290434 1091653836 /nfs/dbraw/zinc/65/38/36/1091653836.db2.gz LLHCKBLSAKWQIJ-YQQQUEKLSA-N 2 0 312.461 2.205 20 30 DEEDRP C=CCCCC[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273495024 1091883054 /nfs/dbraw/zinc/88/30/54/1091883054.db2.gz LUQWVMLUCZGIIY-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948738817 1091908686 /nfs/dbraw/zinc/90/86/86/1091908686.db2.gz NUXLELKVZPUKLR-QGZVFWFLSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001275750783 1092078695 /nfs/dbraw/zinc/07/86/95/1092078695.db2.gz LVQVOXWWIZNYPD-QGZVFWFLSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001275858733 1092240635 /nfs/dbraw/zinc/24/06/35/1092240635.db2.gz OQCBAMLTBXLNPN-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001275975990 1092420418 /nfs/dbraw/zinc/42/04/18/1092420418.db2.gz VCHMABHWXSKDHA-CALCHBBNSA-N 2 0 313.445 2.344 20 30 DEEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001489238511 1092999332 /nfs/dbraw/zinc/99/93/32/1092999332.db2.gz MONAKNPWRMVXLL-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001274124486 1093810760 /nfs/dbraw/zinc/81/07/60/1093810760.db2.gz HBYUPTAPJGNWCQ-ARJAWSKDSA-N 2 0 305.466 2.091 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503941 1138369352 /nfs/dbraw/zinc/36/93/52/1138369352.db2.gz IGFFLPDZYWEEOK-UHFFFAOYSA-N 2 0 309.404 2.294 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001316667124 1140165873 /nfs/dbraw/zinc/16/58/73/1140165873.db2.gz PFNMDBZTEDXGGN-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001491604051 1140244251 /nfs/dbraw/zinc/24/42/51/1140244251.db2.gz XUEFPGWVRHALAW-UONOGXRCSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001491734564 1140290848 /nfs/dbraw/zinc/29/08/48/1140290848.db2.gz DZOXJYLXAMLZAN-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491775702 1140306339 /nfs/dbraw/zinc/30/63/39/1140306339.db2.gz OGABWRSJKBQHAZ-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001318415029 1140320924 /nfs/dbraw/zinc/32/09/24/1140320924.db2.gz HPBFXGVAMPAYDL-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001318822622 1140428198 /nfs/dbraw/zinc/42/81/98/1140428198.db2.gz BYFRAXBTXRZRJA-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001318968197 1140481390 /nfs/dbraw/zinc/48/13/90/1140481390.db2.gz CUIHSQMWDKSIQC-ULQDDVLXSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319860785 1140773159 /nfs/dbraw/zinc/77/31/59/1140773159.db2.gz IERBEPYRAVFOGA-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246403654 1140894968 /nfs/dbraw/zinc/89/49/68/1140894968.db2.gz HXBBUIHNLHLEIQ-FGTMMUONSA-N 2 0 316.424 2.100 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1CC ZINC001323170598 1141821111 /nfs/dbraw/zinc/82/11/11/1141821111.db2.gz ROLTVWMZOYZJKR-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001323735860 1141881897 /nfs/dbraw/zinc/88/18/97/1141881897.db2.gz FGAPLTFKYWJWJV-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001324260268 1142042710 /nfs/dbraw/zinc/04/27/10/1142042710.db2.gz GFRQJQOIUVEBDU-ROUUACIJSA-N 2 0 315.461 2.446 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCC1 ZINC001324470878 1142083779 /nfs/dbraw/zinc/08/37/79/1142083779.db2.gz SUJBEHNOFNLNPD-RCCFBDPRSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H]([NH3+])C(C)(C)C1)C(C)C ZINC001336755952 1142561008 /nfs/dbraw/zinc/56/10/08/1142561008.db2.gz KSYDAVHBBDMPDO-HOTGVXAUSA-N 2 0 322.497 2.064 20 30 DEEDRP C=C[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552195 1142759883 /nfs/dbraw/zinc/75/98/83/1142759883.db2.gz HSHMSPKMIOHUJF-CEXWTWQISA-N 2 0 300.446 2.296 20 30 DEEDRP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252620280 1142792247 /nfs/dbraw/zinc/79/22/47/1142792247.db2.gz STWFCVOUSRICPX-QGZVFWFLSA-N 2 0 304.434 2.273 20 30 DEEDRP 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 1142883023 /nfs/dbraw/zinc/88/30/23/1142883023.db2.gz QWXUBHCURXNILB-ZWJWXYIHSA-N 2 0 302.462 2.428 20 30 DEEDRP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)CC1 ZINC001254516752 1143174946 /nfs/dbraw/zinc/17/49/46/1143174946.db2.gz OPCXOSQQPAMTFI-MRXNPFEDSA-N 2 0 321.465 2.191 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC001341552948 1143628067 /nfs/dbraw/zinc/62/80/67/1143628067.db2.gz NOVVESMGTCZXGQ-INIZCTEOSA-N 2 0 305.422 2.249 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001342382232 1143814459 /nfs/dbraw/zinc/81/44/59/1143814459.db2.gz ZXRSUMVXITULFE-JKSUJKDBSA-N 2 0 307.413 2.228 20 30 DEEDRP N#Cc1csc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)c1 ZINC001256688244 1143862534 /nfs/dbraw/zinc/86/25/34/1143862534.db2.gz UZQUDVJEJKQFSO-UHFFFAOYSA-N 2 0 305.447 2.353 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001278963062 1143866595 /nfs/dbraw/zinc/86/65/95/1143866595.db2.gz WHLYRHWQKWFQOT-CVEARBPZSA-N 2 0 307.482 2.003 20 30 DEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001263184140 1144360048 /nfs/dbraw/zinc/36/00/48/1144360048.db2.gz LWAXRRAYJNYIOO-KBPBESRZSA-N 2 0 319.440 2.425 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001263876645 1144418595 /nfs/dbraw/zinc/41/85/95/1144418595.db2.gz LNKUVSGCRQBEAX-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001263876647 1144418666 /nfs/dbraw/zinc/41/86/66/1144418666.db2.gz LNKUVSGCRQBEAX-VQHPVUNQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001263936658 1144426521 /nfs/dbraw/zinc/42/65/21/1144426521.db2.gz JAVBSJPEQNFEFM-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001264009801 1144441384 /nfs/dbraw/zinc/44/13/84/1144441384.db2.gz ABXWWPGHMLMGLH-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001264380954 1144522228 /nfs/dbraw/zinc/52/22/28/1144522228.db2.gz UITPFWMMZZPLMH-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001265177400 1144661176 /nfs/dbraw/zinc/66/11/76/1144661176.db2.gz RGPYSVQNNIGNND-SFHVURJKSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265233292 1144673453 /nfs/dbraw/zinc/67/34/53/1144673453.db2.gz QDYCGNYGMOQOLX-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001265235792 1144674260 /nfs/dbraw/zinc/67/42/60/1144674260.db2.gz WDQQXTQQIWKBAW-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001265374499 1144699364 /nfs/dbraw/zinc/69/93/64/1144699364.db2.gz NTCLXELOLPTGJU-IAGOWNOFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265587143 1144715243 /nfs/dbraw/zinc/71/52/43/1144715243.db2.gz WWBRPQQEVMMZIA-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265734908 1144735757 /nfs/dbraw/zinc/73/57/57/1144735757.db2.gz HTCFUPBJYCHJLO-RDHHWEPZSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001265947554 1144765891 /nfs/dbraw/zinc/76/58/91/1144765891.db2.gz PFRWYYLHYLPPAT-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001279587489 1144825354 /nfs/dbraw/zinc/82/53/54/1144825354.db2.gz MWPFWCQCCZUQOQ-KZNAEPCWSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001280051396 1144831427 /nfs/dbraw/zinc/83/14/27/1144831427.db2.gz JSGMRFYBWAVHAN-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001280488418 1144842246 /nfs/dbraw/zinc/84/22/46/1144842246.db2.gz VVRFSEURNCRHBC-UHFFFAOYSA-N 2 0 319.493 2.457 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001282993102 1145228569 /nfs/dbraw/zinc/22/85/69/1145228569.db2.gz SLUUTIQDXNLXTN-KDURUIRLSA-N 2 0 321.509 2.321 20 30 DEEDRP C=CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001283333716 1145366429 /nfs/dbraw/zinc/36/64/29/1145366429.db2.gz AFKKNYQSJXCJCL-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001283441261 1145421566 /nfs/dbraw/zinc/42/15/66/1145421566.db2.gz BGBLGPJQKOWWFZ-DLBZAZTESA-N 2 0 307.482 2.025 20 30 DEEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001283557255 1145520294 /nfs/dbraw/zinc/52/02/94/1145520294.db2.gz OTGIMBVZFMRLDF-IRXDYDNUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001284057614 1145778154 /nfs/dbraw/zinc/77/81/54/1145778154.db2.gz NHBZKSZNLOTZIQ-WMZOPIPTSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001284700118 1145892395 /nfs/dbraw/zinc/89/23/95/1145892395.db2.gz PHZBXSMVOPFUQI-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001284700120 1145892406 /nfs/dbraw/zinc/89/24/06/1145892406.db2.gz PHZBXSMVOPFUQI-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001316638894 1146118429 /nfs/dbraw/zinc/11/84/29/1146118429.db2.gz HRMDCXNOXUEAAF-DWRORGKVSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491874232 1146944448 /nfs/dbraw/zinc/94/44/48/1146944448.db2.gz MKVKVWQICXDYJR-ZIAGYGMSSA-N 2 0 313.873 2.240 20 30 DEEDRP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491947873 1147014215 /nfs/dbraw/zinc/01/42/15/1147014215.db2.gz YMFLMAQZWPKEAC-SJORKVTESA-N 2 0 307.482 2.053 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001316690043 1147319663 /nfs/dbraw/zinc/31/96/63/1147319663.db2.gz ZMHAUWOBDHOBOH-HIFRSBDPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001316923685 1147632286 /nfs/dbraw/zinc/63/22/86/1147632286.db2.gz VJPXMRPOTQAFFB-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001317294732 1147686675 /nfs/dbraw/zinc/68/66/75/1147686675.db2.gz PWZWLNCRNKCTDL-IAGOWNOFSA-N 2 0 321.509 2.108 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367390037 1147687980 /nfs/dbraw/zinc/68/79/80/1147687980.db2.gz YSWFILVNUQJGLV-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317325331 1147691062 /nfs/dbraw/zinc/69/10/62/1147691062.db2.gz GELSFDTYPUFPKE-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317376514 1147698987 /nfs/dbraw/zinc/69/89/87/1147698987.db2.gz PQFGQMGEKQDLBH-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317379098 1147699516 /nfs/dbraw/zinc/69/95/16/1147699516.db2.gz KVBYQWIFVNYGKZ-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317714978 1147746557 /nfs/dbraw/zinc/74/65/57/1147746557.db2.gz KGWZAEZXBFRYDZ-SJORKVTESA-N 2 0 301.434 2.104 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001317720383 1147746936 /nfs/dbraw/zinc/74/69/36/1147746936.db2.gz DNYMDXOCXFGXGF-IRXDYDNUSA-N 2 0 303.450 2.206 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317842538 1147756980 /nfs/dbraw/zinc/75/69/80/1147756980.db2.gz TYZONKQSJBGOLB-MRXNPFEDSA-N 2 0 324.428 2.060 20 30 DEEDRP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317992220 1147764982 /nfs/dbraw/zinc/76/49/82/1147764982.db2.gz XTUYUZNCLHKMAI-SJORKVTESA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001318214941 1147799574 /nfs/dbraw/zinc/79/95/74/1147799574.db2.gz CCPRFRSLUHFBSP-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001324749882 1147839428 /nfs/dbraw/zinc/83/94/28/1147839428.db2.gz DOLHUMPWOBPQGO-SFHVURJKSA-N 2 0 318.465 2.331 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001324750883 1147839949 /nfs/dbraw/zinc/83/99/49/1147839949.db2.gz JUUKCXZUPAICBG-SFHVURJKSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001324943368 1147860468 /nfs/dbraw/zinc/86/04/68/1147860468.db2.gz GWVDSKOZPULWNP-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001325779298 1147999203 /nfs/dbraw/zinc/99/92/03/1147999203.db2.gz QKDKSMGTIIIFND-HDICACEKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001325942857 1148022325 /nfs/dbraw/zinc/02/23/25/1148022325.db2.gz PYUQLQUIZIRTOG-XMTFNYHQSA-N 2 0 319.493 2.216 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181491895 199305822 /nfs/dbraw/zinc/30/58/22/199305822.db2.gz YHFQUAYJUGUYFI-INIZCTEOSA-N 2 0 300.450 2.236 20 30 DEEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192747184 529778483 /nfs/dbraw/zinc/77/84/83/529778483.db2.gz GEKHSCNTVADCBW-NVXWUHKLSA-N 2 0 313.449 2.005 20 30 DEEDRP C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633087 529844289 /nfs/dbraw/zinc/84/42/89/529844289.db2.gz USUDWSMCAHEKKX-QGZVFWFLSA-N 2 0 306.498 2.417 20 30 DEEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047976692 354337251 /nfs/dbraw/zinc/33/72/51/354337251.db2.gz YRMLGKOUVWMGTE-UHFFFAOYSA-N 2 0 307.482 2.241 20 30 DEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC000073762066 354979994 /nfs/dbraw/zinc/97/99/94/354979994.db2.gz BEARFQYDQZPMCQ-CQSZACIVSA-N 2 0 308.857 2.299 20 30 DEEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(C#N)cc43)C2)CC1 ZINC000589341645 357465520 /nfs/dbraw/zinc/46/55/20/357465520.db2.gz CBXBJHRGDOCDAZ-XLIONFOSSA-N 2 0 324.472 2.304 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667729281 540516039 /nfs/dbraw/zinc/51/60/39/540516039.db2.gz BEHUUMIDFBDWJR-UHFFFAOYSA-N 2 0 302.422 2.307 20 30 DEEDRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602517357 360414105 /nfs/dbraw/zinc/41/41/05/360414105.db2.gz ZIPRFJAQWMOXPV-UHFFFAOYSA-N 2 0 310.401 2.183 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860271 781958652 /nfs/dbraw/zinc/95/86/52/781958652.db2.gz DDGYUMMXFHPGIN-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000289507046 221026683 /nfs/dbraw/zinc/02/66/83/221026683.db2.gz UGBABXRPWIDXST-HNNXBMFYSA-N 2 0 320.506 2.468 20 30 DEEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000121149951 195299706 /nfs/dbraw/zinc/29/97/06/195299706.db2.gz GEMASCRZEKYWOJ-CYBMUJFWSA-N 2 0 307.463 2.144 20 30 DEEDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000362033241 133206464 /nfs/dbraw/zinc/20/64/64/133206464.db2.gz SUPINIFMNSYMFL-MAUKXSAKSA-N 2 0 312.461 2.377 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000564826196 292113473 /nfs/dbraw/zinc/11/34/73/292113473.db2.gz DXKZRYUEHNBNLP-SSHXOBKSSA-N 2 0 300.406 2.113 20 30 DEEDRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCSCC#N)CC1 ZINC000074989811 401746792 /nfs/dbraw/zinc/74/67/92/401746792.db2.gz OLCWJQVOGHVQGP-IRXDYDNUSA-N 2 0 324.538 2.124 20 30 DEEDRP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000121044555 402012017 /nfs/dbraw/zinc/01/20/17/402012017.db2.gz CAMPXXMLSSPWIO-AEFFLSMTSA-N 2 0 318.461 2.038 20 30 DEEDRP CCc1cnc(CNC(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)=[NH+]C)s1 ZINC000158515182 402307018 /nfs/dbraw/zinc/30/70/18/402307018.db2.gz VHWQZFYWGVEBQX-GXTWGEPZSA-N 2 0 323.510 2.099 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181316822 402641106 /nfs/dbraw/zinc/64/11/06/402641106.db2.gz ZUCOELMSZGDTFM-FUHWJXTLSA-N 2 0 315.461 2.274 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000172264945 402647152 /nfs/dbraw/zinc/64/71/52/402647152.db2.gz LQYVPRNZPQKSMZ-QGZVFWFLSA-N 2 0 322.497 2.201 20 30 DEEDRP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000172583076 402663781 /nfs/dbraw/zinc/66/37/81/402663781.db2.gz HLPUWYGZUJYEMT-INIZCTEOSA-N 2 0 314.433 2.160 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000281770551 403089904 /nfs/dbraw/zinc/08/99/04/403089904.db2.gz MFXIXIBJTXYGAD-UHFFFAOYSA-N 2 0 317.481 2.056 20 30 DEEDRP C[NH+]1CCC(Oc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000283997755 403237748 /nfs/dbraw/zinc/23/77/48/403237748.db2.gz MHIJCQZMKOAENW-UHFFFAOYSA-N 2 0 318.465 2.362 20 30 DEEDRP NC(=NOCCCCF)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000285173074 403278950 /nfs/dbraw/zinc/27/89/50/403278950.db2.gz NHWSXLQIOPGVGW-UHFFFAOYSA-N 2 0 323.412 2.030 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(CC#N)cc1 ZINC000342724052 403322904 /nfs/dbraw/zinc/32/29/04/403322904.db2.gz DFFUGWGLOJTWMF-GUDVDZBRSA-N 2 0 313.445 2.436 20 30 DEEDRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339039952 403331716 /nfs/dbraw/zinc/33/17/16/403331716.db2.gz CUPKLJDLNUBBQS-SJLPKXTDSA-N 2 0 304.482 2.169 20 30 DEEDRP CN(CCC[N@H+](C)Cc1ccc(F)c(C#N)c1)CC[NH+](C)C ZINC000288797635 403771759 /nfs/dbraw/zinc/77/17/59/403771759.db2.gz CSNICXBEXJQISP-UHFFFAOYSA-N 2 0 306.429 2.013 20 30 DEEDRP C#Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000289342632 403918436 /nfs/dbraw/zinc/91/84/36/403918436.db2.gz WISWIKQUQJCWLK-UHFFFAOYSA-N 2 0 320.440 2.105 20 30 DEEDRP C=CCN1CC[C@@H]([NH+]2CCC(C[N@@H+](C)CCCC)CC2)C1=O ZINC000337129334 403967161 /nfs/dbraw/zinc/96/71/61/403967161.db2.gz IKRIIAYXKAZZHT-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCN(Cc1ccc(OC)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290096990 404039213 /nfs/dbraw/zinc/03/92/13/404039213.db2.gz WISTXTWGMFPGEZ-QGZVFWFLSA-N 2 0 304.434 2.138 20 30 DEEDRP CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329154629 404247181 /nfs/dbraw/zinc/24/71/81/404247181.db2.gz CAVBFUPYVUGGSU-MYSGWJLTSA-N 2 0 304.438 2.192 20 30 DEEDRP Cc1ncc2n1CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000329784018 404450896 /nfs/dbraw/zinc/45/08/96/404450896.db2.gz OYWIJPJYANZTLU-KBPBESRZSA-N 2 0 302.422 2.195 20 30 DEEDRP C=CCC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000414204021 404547034 /nfs/dbraw/zinc/54/70/34/404547034.db2.gz VZEZHANWIQDXCX-SFHVURJKSA-N 2 0 321.509 2.117 20 30 DEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000375908869 404769748 /nfs/dbraw/zinc/76/97/48/404769748.db2.gz ZJIARPVVUZVMKH-LJQANCHMSA-N 2 0 312.461 2.159 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353416127 404825781 /nfs/dbraw/zinc/82/57/81/404825781.db2.gz XCUJFVUQSSZSOS-LJQANCHMSA-N 2 0 312.461 2.163 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)C(C)C ZINC000353454968 404835004 /nfs/dbraw/zinc/83/50/04/404835004.db2.gz WXFLYVXKBAOYQG-KZNAEPCWSA-N 2 0 321.509 2.435 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000358777551 404775238 /nfs/dbraw/zinc/77/52/38/404775238.db2.gz AFFFCCCCRUKFJW-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccsc1 ZINC000424126950 405015289 /nfs/dbraw/zinc/01/52/89/405015289.db2.gz CIVQDZWMSRDSFM-GJZGRUSLSA-N 2 0 322.478 2.268 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000424128222 405015787 /nfs/dbraw/zinc/01/57/87/405015787.db2.gz FBXBQOLIYRETQX-QGZVFWFLSA-N 2 0 320.481 2.122 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000424182918 405032747 /nfs/dbraw/zinc/03/27/47/405032747.db2.gz UPTXZVNSIXHMCD-QGZVFWFLSA-N 2 0 314.433 2.285 20 30 DEEDRP C[NH+]1CCC(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000367590341 405094963 /nfs/dbraw/zinc/09/49/63/405094963.db2.gz UAAYEKAWHGCJBL-UHFFFAOYSA-N 2 0 312.461 2.458 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424434380 405093063 /nfs/dbraw/zinc/09/30/63/405093063.db2.gz JQUGVFNRUBQIDR-UHFFFAOYSA-N 2 0 302.422 2.226 20 30 DEEDRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000361577523 405140957 /nfs/dbraw/zinc/14/09/57/405140957.db2.gz KWXOIRURTKYUPS-UHFFFAOYSA-N 2 0 318.465 2.220 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420796429 405386107 /nfs/dbraw/zinc/38/61/07/405386107.db2.gz UXRVPEDSMQHWJR-UHFFFAOYSA-N 2 0 322.497 2.199 20 30 DEEDRP C=C(C)COCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987866 405693658 /nfs/dbraw/zinc/69/36/58/405693658.db2.gz HOLXUKSFERQLEJ-FUHWJXTLSA-N 2 0 302.418 2.425 20 30 DEEDRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000561482079 405931827 /nfs/dbraw/zinc/93/18/27/405931827.db2.gz PDKKVYUEVROYCC-WDSOQIARSA-N 2 0 312.461 2.257 20 30 DEEDRP C[C@@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)N1 ZINC000262655445 225280813 /nfs/dbraw/zinc/28/08/13/225280813.db2.gz LOACITQBEMOCPT-WBVHZDCISA-N 2 0 300.450 2.397 20 30 DEEDRP C[C@@H]1C[C@@H](CCNC2=[NH+]CCN2C)C[N@@H+]1Cc1ccccc1 ZINC000262681830 225281794 /nfs/dbraw/zinc/28/17/94/225281794.db2.gz WMVYVYVLCXJWOX-NVXWUHKLSA-N 2 0 300.450 2.178 20 30 DEEDRP COc1cccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)N(C)C)c1 ZINC000264056728 225298822 /nfs/dbraw/zinc/29/88/22/225298822.db2.gz BFESHUZXCVURAE-KRWDZBQOSA-N 2 0 318.465 2.345 20 30 DEEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000264116537 225306082 /nfs/dbraw/zinc/30/60/82/225306082.db2.gz SWMULBYTTMZTMU-NVXWUHKLSA-N 2 0 318.465 2.071 20 30 DEEDRP C=CC[C@]1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[NH2+]1 ZINC000662777622 425734365 /nfs/dbraw/zinc/73/43/65/425734365.db2.gz VRAFZTAIDGSLLZ-QGZVFWFLSA-N 2 0 303.381 2.108 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCC[NH2+]1 ZINC000662678861 425710803 /nfs/dbraw/zinc/71/08/03/425710803.db2.gz JBIJJQWIDFNHDQ-GOEBONIOSA-N 2 0 307.463 2.165 20 30 DEEDRP C=CC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694700 425713571 /nfs/dbraw/zinc/71/35/71/425713571.db2.gz BGYOJQGKEYPIAY-QAPCUYQASA-N 2 0 307.482 2.311 20 30 DEEDRP CNC(NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)=[NH+]C ZINC000122479859 276840430 /nfs/dbraw/zinc/84/04/30/276840430.db2.gz NDBMSLUVDBAUTE-GJZGRUSLSA-N 2 0 302.466 2.459 20 30 DEEDRP C[NH+]1CCC(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000304467965 277026183 /nfs/dbraw/zinc/02/61/83/277026183.db2.gz CFQNZSDHFBSFKM-INIZCTEOSA-N 2 0 316.449 2.146 20 30 DEEDRP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCC[NH2+]1 ZINC000576861307 326325090 /nfs/dbraw/zinc/32/50/90/326325090.db2.gz VBUIEFZDFHHHGG-LHUBUQBQSA-N 2 0 314.433 2.373 20 30 DEEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423156310 337701933 /nfs/dbraw/zinc/70/19/33/337701933.db2.gz RZQIPECNKIBPRZ-XLMAVXFVSA-N 2 0 300.402 2.175 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001357395393 1152296019 /nfs/dbraw/zinc/29/60/19/1152296019.db2.gz DPMPEVBHSXLCIE-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001330296238 1149088117 /nfs/dbraw/zinc/08/81/17/1149088117.db2.gz KSIHNTPTNFZLMI-ZJPYXAASSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001378863510 1152472059 /nfs/dbraw/zinc/47/20/59/1152472059.db2.gz XMLKPRBISSIZHQ-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C[NH+]=C(NCC1([NH+]2CCC(OC)CC2)CCCC1)N1CCCC1 ZINC000263172276 526350066 /nfs/dbraw/zinc/35/00/66/526350066.db2.gz SAWWWPGIQDVFSR-UHFFFAOYSA-N 2 0 322.497 2.081 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[NH2+]CC)CC2)CC1 ZINC000417538022 526585684 /nfs/dbraw/zinc/58/56/84/526585684.db2.gz MLZLKASERRYKCO-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261950196 528805573 /nfs/dbraw/zinc/80/55/73/528805573.db2.gz HDWMPEXNLQTCFZ-XJKSGUPXSA-N 2 0 324.538 2.167 20 30 DEEDRP CCOCc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000264127017 529035036 /nfs/dbraw/zinc/03/50/36/529035036.db2.gz WPZJRWCUIRMYLS-QGZVFWFLSA-N 2 0 318.465 2.112 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001330467972 1149150960 /nfs/dbraw/zinc/15/09/60/1149150960.db2.gz OBWBAKXVAQARRF-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]12 ZINC001026385490 625393669 /nfs/dbraw/zinc/39/36/69/625393669.db2.gz CAIHVLUFDBKVQH-FGTMMUONSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310602 625436825 /nfs/dbraw/zinc/43/68/25/625436825.db2.gz UOHGOJIOFDWBJM-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475853 625467752 /nfs/dbraw/zinc/46/77/52/625467752.db2.gz VLLXPIUPOXOYCR-WBVHZDCISA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001026513828 625491540 /nfs/dbraw/zinc/49/15/40/625491540.db2.gz HLBZBKZNNHCMIT-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114689 622567687 /nfs/dbraw/zinc/56/76/87/622567687.db2.gz KPCAWDUHFNVOSJ-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969832317 622942453 /nfs/dbraw/zinc/94/24/53/622942453.db2.gz GKIPBJXHQLXQDB-RHSMWYFYSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001020906932 623184939 /nfs/dbraw/zinc/18/49/39/623184939.db2.gz MOJUZNTZDSJEHC-ULQDDVLXSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622368 623846752 /nfs/dbraw/zinc/84/67/52/623846752.db2.gz INVRGKVZQLBSKF-SJLPKXTDSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542152 624184946 /nfs/dbraw/zinc/18/49/46/624184946.db2.gz ZLOHOIQNEQZWBY-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001022341284 624606871 /nfs/dbraw/zinc/60/68/71/624606871.db2.gz XOPYQKILCZAIKF-BETUJISGSA-N 2 0 318.808 2.246 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998889600 634437938 /nfs/dbraw/zinc/43/79/38/634437938.db2.gz WSNPZKBTWVFRJK-GTPINHCMSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]12 ZINC001026267878 625240349 /nfs/dbraw/zinc/24/03/49/625240349.db2.gz RMMGKYBURBDMEX-BRWVUGGUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453918 625275024 /nfs/dbraw/zinc/27/50/24/625275024.db2.gz KTBIVKPMQWGBFV-OAHLLOKOSA-N 2 0 312.417 2.271 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142529 634492498 /nfs/dbraw/zinc/49/24/98/634492498.db2.gz AWXLNQUXOOCVBD-CABCVRRESA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC000996416025 633256811 /nfs/dbraw/zinc/25/68/11/633256811.db2.gz ZIESBZFQSDAIJP-QGZVFWFLSA-N 2 0 315.461 2.374 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997078455 633567116 /nfs/dbraw/zinc/56/71/16/633567116.db2.gz JGYVQMWWHWQCJM-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000921538783 633631195 /nfs/dbraw/zinc/63/11/95/633631195.db2.gz YEEAXGJAIDKWJE-UHFFFAOYSA-N 2 0 301.434 2.377 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997184492 633670518 /nfs/dbraw/zinc/67/05/18/633670518.db2.gz BMESEHGTKVNDPN-UHFFFAOYSA-N 2 0 322.840 2.094 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000997370109 633722015 /nfs/dbraw/zinc/72/20/15/633722015.db2.gz SXJGKGSCJRJJCY-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998007495 634108654 /nfs/dbraw/zinc/10/86/54/634108654.db2.gz OOEDOPCNJPLHKZ-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998015924 634112806 /nfs/dbraw/zinc/11/28/06/634112806.db2.gz GHKOBFGSAKQLFZ-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998105234 634142894 /nfs/dbraw/zinc/14/28/94/634142894.db2.gz XSSORDJFLQQROG-OKZBNKHCSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175338 634161264 /nfs/dbraw/zinc/16/12/64/634161264.db2.gz BSBRWVRKFHWNPF-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998187182 634163594 /nfs/dbraw/zinc/16/35/94/634163594.db2.gz DSCIQBBMSIRNRK-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980138128 634857674 /nfs/dbraw/zinc/85/76/74/634857674.db2.gz AGDIFRJGRMGMBP-USXIJHARSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886012 634873451 /nfs/dbraw/zinc/87/34/51/634873451.db2.gz MQKDOWWEURKZMB-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001251350 635441515 /nfs/dbraw/zinc/44/15/15/635441515.db2.gz DPIOUVGZZMOYRK-ROUUACIJSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369153 635456642 /nfs/dbraw/zinc/45/66/42/635456642.db2.gz DEVZZOKDOSDOIM-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001001466456 635501989 /nfs/dbraw/zinc/50/19/89/635501989.db2.gz HSUQHSGNEPVQMR-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001912725 635574574 /nfs/dbraw/zinc/57/45/74/635574574.db2.gz ZCXCOONGKLDDDT-SFHVURJKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981811968 635666506 /nfs/dbraw/zinc/66/65/06/635666506.db2.gz DAKPOSQRLZHTBH-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861101 635697217 /nfs/dbraw/zinc/69/72/17/635697217.db2.gz AYVNJHUNONADQA-UHFFFAOYSA-N 2 0 324.428 2.367 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000981963962 635773179 /nfs/dbraw/zinc/77/31/79/635773179.db2.gz BZNBBOMAZBDJEY-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001005414825 636735021 /nfs/dbraw/zinc/73/50/21/636735021.db2.gz IIBZTYPFHJFDHC-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870149 636802474 /nfs/dbraw/zinc/80/24/74/636802474.db2.gz LNIIFWBVOAEMND-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001006083292 637180747 /nfs/dbraw/zinc/18/07/47/637180747.db2.gz CIJPCBKOFCXOPX-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006083640 637181593 /nfs/dbraw/zinc/18/15/93/637181593.db2.gz LGLPSGLZSUWQKQ-QGZVFWFLSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006117232 637214811 /nfs/dbraw/zinc/21/48/11/637214811.db2.gz UYIISXHYUZHAHM-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006291634 637330921 /nfs/dbraw/zinc/33/09/21/637330921.db2.gz GPDGLMMQKLQCMW-AEFFLSMTSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000985408009 639362016 /nfs/dbraw/zinc/36/20/16/639362016.db2.gz VIUJZAMZYWPOSQ-UHFFFAOYSA-N 2 0 310.829 2.018 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000985459068 639436716 /nfs/dbraw/zinc/43/67/16/639436716.db2.gz GYCIADQKVVKHTP-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000986443780 639901783 /nfs/dbraw/zinc/90/17/83/639901783.db2.gz BJNLQPAGNGGPFS-YOEHRIQHSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989564158 641146592 /nfs/dbraw/zinc/14/65/92/641146592.db2.gz ZLRUDTAVDUDIKD-YOEHRIQHSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990764182 641961602 /nfs/dbraw/zinc/96/16/02/641961602.db2.gz PNIFWPHIXQFNLR-FAJBIJEISA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907282707 644497847 /nfs/dbraw/zinc/49/78/47/644497847.db2.gz PPOBMTBPFQPYSF-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991501131 646431871 /nfs/dbraw/zinc/43/18/71/646431871.db2.gz GYZKNJCGKJUFFR-PKOBYXMFSA-N 2 0 322.412 2.003 20 30 DEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991857030 646670122 /nfs/dbraw/zinc/67/01/22/646670122.db2.gz CGSPJKCFLBCRIT-PKOBYXMFSA-N 2 0 322.412 2.084 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992192660 646896793 /nfs/dbraw/zinc/89/67/93/646896793.db2.gz TYKGATZMPZCKFA-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP CC(C)(C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000819259853 647620152 /nfs/dbraw/zinc/62/01/52/647620152.db2.gz MLYURDDVKVXJSH-QGZVFWFLSA-N 2 0 301.434 2.303 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993534467 647691859 /nfs/dbraw/zinc/69/18/59/647691859.db2.gz YJANBJPHBWLIEM-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994078212 647785323 /nfs/dbraw/zinc/78/53/23/647785323.db2.gz HBBVKONIJSGSQZ-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000939505415 648669839 /nfs/dbraw/zinc/66/98/39/648669839.db2.gz FGMSCJZKJXKPKG-QAPCUYQASA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837428 648953873 /nfs/dbraw/zinc/95/38/73/648953873.db2.gz UEVKHFOLAJNANL-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842449 648954724 /nfs/dbraw/zinc/95/47/24/648954724.db2.gz GYKLSMAMNGWWRV-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980854 648978317 /nfs/dbraw/zinc/97/83/17/648978317.db2.gz ZVLQGJXYGZKYMF-HRCADAONSA-N 2 0 307.482 2.119 20 30 DEEDRP C[NH+]=C(NCCCC[N@@H+]1CCC[C@@H](C)C1)NCc1ccco1 ZINC000848989940 651573019 /nfs/dbraw/zinc/57/30/19/651573019.db2.gz MRZKLWRDGBPPIF-OAHLLOKOSA-N 2 0 306.454 2.457 20 30 DEEDRP C=CCOCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584203 651953744 /nfs/dbraw/zinc/95/37/44/651953744.db2.gz DYXBBEBRBMGDTQ-SFHVURJKSA-N 2 0 319.449 2.189 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)cc1C ZINC000304717636 685257911 /nfs/dbraw/zinc/25/79/11/685257911.db2.gz NOIQXECNJDMKNB-UHFFFAOYSA-N 2 0 317.481 2.056 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C)cc1 ZINC000304750105 685258757 /nfs/dbraw/zinc/25/87/57/685258757.db2.gz IDWMBZIENFTLPO-DOTOQJQBSA-N 2 0 302.466 2.487 20 30 DEEDRP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291710 693916947 /nfs/dbraw/zinc/91/69/47/693916947.db2.gz CXHWVTHZDIJBLX-QGZVFWFLSA-N 2 0 313.445 2.146 20 30 DEEDRP [NH2+]=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCCCC1 ZINC000303890877 685237451 /nfs/dbraw/zinc/23/74/51/685237451.db2.gz MULXKUNCZHGSDH-UHFFFAOYSA-N 2 0 300.450 2.235 20 30 DEEDRP CC(C)NC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000303891632 685238429 /nfs/dbraw/zinc/23/84/29/685238429.db2.gz NEONOYRKCRMSLU-HUUCEWRRSA-N 2 0 318.465 2.109 20 30 DEEDRP CC[C@H](CNC(=[NH2+])NCC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000303900111 685238941 /nfs/dbraw/zinc/23/89/41/685238941.db2.gz RZHVVOFCMYPYKG-QGZVFWFLSA-N 2 0 302.466 2.384 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2C)CC1 ZINC000303982546 685242077 /nfs/dbraw/zinc/24/20/77/685242077.db2.gz QHJYIZACXLJALC-INIZCTEOSA-N 2 0 314.477 2.415 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016651468 687674524 /nfs/dbraw/zinc/67/45/24/687674524.db2.gz IGLZKKIWMXQFNJ-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016651473 687674955 /nfs/dbraw/zinc/67/49/55/687674955.db2.gz IGLZKKIWMXQFNJ-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016732557 687692130 /nfs/dbraw/zinc/69/21/30/687692130.db2.gz ZKTNZHFHHDMCNV-QGZVFWFLSA-N 2 0 324.428 2.495 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017572149 687915565 /nfs/dbraw/zinc/91/55/65/687915565.db2.gz VOSIGISYWSDKLQ-XWTMOSNGSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611460 687924800 /nfs/dbraw/zinc/92/48/00/687924800.db2.gz RUNVTCCOPYDECZ-KURKYZTESA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001018315415 688108071 /nfs/dbraw/zinc/10/80/71/688108071.db2.gz YZSOXSWOGZXGSA-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320983 689461270 /nfs/dbraw/zinc/46/12/70/689461270.db2.gz YSJGIEPJDIJPDK-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033830429 689629834 /nfs/dbraw/zinc/62/98/34/689629834.db2.gz IEKJDOCQILSWLN-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258487 689785675 /nfs/dbraw/zinc/78/56/75/689785675.db2.gz XWUXIJHWZSJIKC-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260307 689785731 /nfs/dbraw/zinc/78/57/31/689785731.db2.gz IDWWECPXOMWYLL-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000876724861 689916944 /nfs/dbraw/zinc/91/69/44/689916944.db2.gz ARBIPFFIXPZVEI-YDHLFZDLSA-N 2 0 315.889 2.331 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034642759 689917299 /nfs/dbraw/zinc/91/72/99/689917299.db2.gz LAXLHUKFZOGTDN-BRWVUGGUSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876728712 689918315 /nfs/dbraw/zinc/91/83/15/689918315.db2.gz SYGSMSOGQVWUDY-JKSUJKDBSA-N 2 0 321.852 2.237 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000876738950 689923246 /nfs/dbraw/zinc/92/32/46/689923246.db2.gz AULPCHRGWKIPDX-OAHLLOKOSA-N 2 0 313.873 2.227 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001034796954 689949588 /nfs/dbraw/zinc/94/95/88/689949588.db2.gz RTOYUZJKHZKPDC-QBPKDAKJSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035198550 690057359 /nfs/dbraw/zinc/05/73/59/690057359.db2.gz MFFRZYTZYIOQCK-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229745 690066826 /nfs/dbraw/zinc/06/68/26/690066826.db2.gz ZBDBTQYESDLORD-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035716930 690159466 /nfs/dbraw/zinc/15/94/66/690159466.db2.gz BDDCKSGGYBMARI-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035809939 690182386 /nfs/dbraw/zinc/18/23/86/690182386.db2.gz FYHNJIRSKVVSCO-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035811775 690182839 /nfs/dbraw/zinc/18/28/39/690182839.db2.gz JSHWCCYVXMCODR-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814913 690183510 /nfs/dbraw/zinc/18/35/10/690183510.db2.gz VBOJIWDIBSJLCH-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001036153228 690276651 /nfs/dbraw/zinc/27/66/51/690276651.db2.gz WEWDKJSLOMXCCK-ZBFHGGJFSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036716534 690443728 /nfs/dbraw/zinc/44/37/28/690443728.db2.gz HLEIMENLWLUHAZ-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793984 690476709 /nfs/dbraw/zinc/47/67/09/690476709.db2.gz NREZCJUGBRZRJC-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1CC ZINC001037855211 690624430 /nfs/dbraw/zinc/62/44/30/690624430.db2.gz OJKAXGKYCNRSTM-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001037904789 690637467 /nfs/dbraw/zinc/63/74/67/690637467.db2.gz LOMGMTFZNNENFM-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001037906807 690637966 /nfs/dbraw/zinc/63/79/66/690637966.db2.gz UJRQWBOPUDFQAW-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC ZINC001037955782 690648681 /nfs/dbraw/zinc/64/86/81/690648681.db2.gz AOERUPYPRCPWBE-ZBFHGGJFSA-N 2 0 316.449 2.164 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038246091 690755751 /nfs/dbraw/zinc/75/57/51/690755751.db2.gz BOPGUIASWQRGFG-FUHWJXTLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038355441 690793216 /nfs/dbraw/zinc/79/32/16/690793216.db2.gz ZWQZAAPMXNIRAN-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242784 691066381 /nfs/dbraw/zinc/06/63/81/691066381.db2.gz RDDQMVANGMUJOK-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039386236 691094599 /nfs/dbraw/zinc/09/45/99/691094599.db2.gz FGHNVRGXJKWYFZ-CVEARBPZSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395890 691242793 /nfs/dbraw/zinc/24/27/93/691242793.db2.gz RCFWFNRYSRUTHN-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040849719 691292501 /nfs/dbraw/zinc/29/25/01/691292501.db2.gz UXBXJOJBKHRRPU-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041297102 691357635 /nfs/dbraw/zinc/35/76/35/691357635.db2.gz MIRVWMPKQASABP-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377676 691368966 /nfs/dbraw/zinc/36/89/66/691368966.db2.gz CVDLGYCPAVOTEI-PKOBYXMFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845658 691444676 /nfs/dbraw/zinc/44/46/76/691444676.db2.gz MLFLDGZEEBGNCU-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001042095921 691507301 /nfs/dbraw/zinc/50/73/01/691507301.db2.gz RPDCRLDVUGKEIS-WMZOPIPTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)C(C)C ZINC000884192141 691678865 /nfs/dbraw/zinc/67/88/65/691678865.db2.gz XDKLISFPHRFLNN-HZPDHXFCSA-N 2 0 307.482 2.047 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001044183131 691784640 /nfs/dbraw/zinc/78/46/40/691784640.db2.gz NJWWBJHZORKAHA-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001044656292 691866707 /nfs/dbraw/zinc/86/67/07/691866707.db2.gz GWQZDGMSFCXHFS-HIFRSBDPSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438273 691981232 /nfs/dbraw/zinc/98/12/32/691981232.db2.gz NFJASTJWJKQCOB-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046706755 692268498 /nfs/dbraw/zinc/26/84/98/692268498.db2.gz LBOYHUJBPDHRSD-GOSISDBHSA-N 2 0 301.434 2.128 20 30 DEEDRP 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 692648338 /nfs/dbraw/zinc/64/83/38/692648338.db2.gz RXBHRDMINBKNBA-SFFUCWETSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC001048919493 692722911 /nfs/dbraw/zinc/72/29/11/692722911.db2.gz VVSSKRLREYRHDK-CALCHBBNSA-N 2 0 324.428 2.304 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049482253 692896860 /nfs/dbraw/zinc/89/68/60/692896860.db2.gz LMYPYNVWFDTQRV-MHORFTMASA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049515029 692907848 /nfs/dbraw/zinc/90/78/48/692907848.db2.gz LCQVNRAUIMOMGP-DLBZAZTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568674 692924425 /nfs/dbraw/zinc/92/44/25/692924425.db2.gz VWTNHEVTNHERPA-IAGOWNOFSA-N 2 0 317.477 2.256 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572574 692926230 /nfs/dbraw/zinc/92/62/30/692926230.db2.gz MFWGUEQOENTORA-QZTJIDSGSA-N 2 0 322.412 2.037 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049727264 692977194 /nfs/dbraw/zinc/97/71/94/692977194.db2.gz ISXYBHLZRXFOFG-YESZJQIVSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050550465 693205174 /nfs/dbraw/zinc/20/51/74/693205174.db2.gz LNMNUUPJQUIFGM-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050564628 693207685 /nfs/dbraw/zinc/20/76/85/693207685.db2.gz SOIIVUALTAYDMK-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001050637843 693220738 /nfs/dbraw/zinc/22/07/38/693220738.db2.gz SUDYGDDRKWUVNI-UHFFFAOYSA-N 2 0 317.433 2.065 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766616 693247137 /nfs/dbraw/zinc/24/71/37/693247137.db2.gz TZRGTEZBARUXSV-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP 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 693523629 /nfs/dbraw/zinc/52/36/29/693523629.db2.gz FDJHCPBGYOQAAD-MAPUTHEBSA-N 2 0 307.482 2.384 20 30 DEEDRP C#CCOc1ccc([C@H](C)NC[C@@H](C[NH+](C)C)OCC)cc1 ZINC000926962385 693536092 /nfs/dbraw/zinc/53/60/92/693536092.db2.gz LNFZEKCHVDUPQQ-YJBOKZPZSA-N 2 0 304.434 2.316 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766823 693615348 /nfs/dbraw/zinc/61/53/48/693615348.db2.gz OATMZIXAFPOGMR-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001343375720 1150738605 /nfs/dbraw/zinc/73/86/05/1150738605.db2.gz JLBYLSHOKFKTFF-HOTGVXAUSA-N 2 0 307.413 2.228 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC001353677330 1151845843 /nfs/dbraw/zinc/84/58/43/1151845843.db2.gz GYUXXMAAMQETOJ-KRWDZBQOSA-N 2 0 303.450 2.260 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001380159540 1152759359 /nfs/dbraw/zinc/75/93/59/1152759359.db2.gz YDKGOVGTINQLLY-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001380275869 1152779885 /nfs/dbraw/zinc/77/98/85/1152779885.db2.gz XAEKVSSEQJMUDD-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001393660651 1157895849 /nfs/dbraw/zinc/89/58/49/1157895849.db2.gz UCBMEMQTLFIAPV-AWEZNQCLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001394830865 1158806298 /nfs/dbraw/zinc/80/62/98/1158806298.db2.gz DNAKZSBZHKYLJN-ZDUSSCGKSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001403564570 1163006033 /nfs/dbraw/zinc/00/60/33/1163006033.db2.gz GQWHFZXWNGJBKM-LBPRGKRZSA-N 2 0 320.824 2.445 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001399224624 1161289377 /nfs/dbraw/zinc/28/93/77/1161289377.db2.gz LBTJESHYAFIDJJ-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001422682000 1172807284 /nfs/dbraw/zinc/80/72/84/1172807284.db2.gz DWXURDVPFDDASQ-AWEZNQCLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001423166228 1173136340 /nfs/dbraw/zinc/13/63/40/1173136340.db2.gz BKHORLMXEUXRAW-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP N#Cc1cccc([C@@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001434477516 1178630361 /nfs/dbraw/zinc/63/03/61/1178630361.db2.gz CIXFMZOZFXIMGC-IBGZPJMESA-N 2 0 322.412 2.199 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001436909037 1179298286 /nfs/dbraw/zinc/29/82/86/1179298286.db2.gz CBIFBCGOUJYRHE-MGPQQGTHSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001438527888 1180552859 /nfs/dbraw/zinc/55/28/59/1180552859.db2.gz ZUTYAYGADGUFBI-DZGCQCFKSA-N 2 0 315.889 2.203 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001438699132 1180772902 /nfs/dbraw/zinc/77/29/02/1180772902.db2.gz YDEULYXWMYXCHV-GJZGRUSLSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)CN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596305 1149816749 /nfs/dbraw/zinc/81/67/49/1149816749.db2.gz SXOOFMWEAYLCNH-LSDHHAIUSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168434190 782251899 /nfs/dbraw/zinc/25/18/99/782251899.db2.gz NDJOUEACDAAXBI-UHFFFAOYSA-N 2 0 303.450 2.424 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001332409693 1149857825 /nfs/dbraw/zinc/85/78/25/1149857825.db2.gz OFIYTOSHLWNVCW-IAGOWNOFSA-N 2 0 319.424 2.195 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001332412458 1149857690 /nfs/dbraw/zinc/85/76/90/1149857690.db2.gz FAMOFYFJKMSXMO-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001332736104 1149886377 /nfs/dbraw/zinc/88/63/77/1149886377.db2.gz WCVRDHQBNOBKAK-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430191 783101238 /nfs/dbraw/zinc/10/12/38/783101238.db2.gz JKWDFGMARRGJGP-INIZCTEOSA-N 2 0 324.428 2.188 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497888 783154639 /nfs/dbraw/zinc/15/46/39/783154639.db2.gz MXZBWZBTSQPVKM-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104265038 776860850 /nfs/dbraw/zinc/86/08/50/776860850.db2.gz QFWOEWJCTYUBLL-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2c(C)ncc(C[NH3+])c2=N)cc1 ZINC001167677040 777594333 /nfs/dbraw/zinc/59/43/33/777594333.db2.gz GSFQYEVCUWBSER-SFHVURJKSA-N 2 0 323.444 2.442 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599931 777961942 /nfs/dbraw/zinc/96/19/42/777961942.db2.gz LKARBSGGQVQKKJ-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104666281 778007145 /nfs/dbraw/zinc/00/71/45/778007145.db2.gz PFFPTLVGLULANU-KURKYZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104863612 778220186 /nfs/dbraw/zinc/22/01/86/778220186.db2.gz XJVXCDSOCMFBLJ-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014106 778298291 /nfs/dbraw/zinc/29/82/91/778298291.db2.gz CKYOSNPRCJYMFP-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H]1CC ZINC001087624697 779383786 /nfs/dbraw/zinc/38/37/86/779383786.db2.gz UVFCONTUZXXTLD-DOTOQJQBSA-N 2 0 310.401 2.169 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001087986285 779605973 /nfs/dbraw/zinc/60/59/73/779605973.db2.gz FCXPRIIUZVARCM-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106363 779704128 /nfs/dbraw/zinc/70/41/28/779704128.db2.gz XLWXDQOIZBWMBK-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001101588598 780462839 /nfs/dbraw/zinc/46/28/39/780462839.db2.gz UCDHCUWUYUDUOV-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168296918 780810435 /nfs/dbraw/zinc/81/04/35/780810435.db2.gz AKMPDIRPVQIJBY-IYBDPMFKSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001091057914 790872235 /nfs/dbraw/zinc/87/22/35/790872235.db2.gz GNZSADUMJSMAIX-NRXISQOPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621059 783533580 /nfs/dbraw/zinc/53/35/80/783533580.db2.gz LGUTZUOIPGVSHQ-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647177 783548561 /nfs/dbraw/zinc/54/85/61/783548561.db2.gz FHQIOKDGZNTWST-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855964 784150179 /nfs/dbraw/zinc/15/01/79/784150179.db2.gz NPUQJYAPALYDOE-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855963 784150214 /nfs/dbraw/zinc/15/02/14/784150214.db2.gz NPUQJYAPALYDOE-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086216816 784497740 /nfs/dbraw/zinc/49/77/40/784497740.db2.gz AMAPFDCZYVCXHP-IXDOHACOSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968782665 784588047 /nfs/dbraw/zinc/58/80/47/784588047.db2.gz XWHNFBIALMQPLS-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856076 784621388 /nfs/dbraw/zinc/62/13/88/784621388.db2.gz DDURTYFXVPGIKO-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C/C(=[NH+]\COC)n1c(C)c(CC[NH3+])c2cc(OC)ccc21 ZINC001169176213 785085463 /nfs/dbraw/zinc/08/54/63/785085463.db2.gz YGHQHYYSHWPOJP-HTXNQAPBSA-N 2 0 301.390 2.496 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237522 791087990 /nfs/dbraw/zinc/08/79/90/791087990.db2.gz QOMUATMQDJHOIE-CQSZACIVSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001112853520 786257387 /nfs/dbraw/zinc/25/73/87/786257387.db2.gz BXHIAXOLUMHTJI-UHFFFAOYSA-N 2 0 312.417 2.367 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113160425 786422175 /nfs/dbraw/zinc/42/21/75/786422175.db2.gz CAEKASNSRMKJEZ-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014723853 786724125 /nfs/dbraw/zinc/72/41/25/786724125.db2.gz RQYVKUMNDNCYHT-DOTOQJQBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001113677842 786754818 /nfs/dbraw/zinc/75/48/18/786754818.db2.gz SMPBROTXLRDYCS-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130656311 787451935 /nfs/dbraw/zinc/45/19/35/787451935.db2.gz PHAUSUKWLNYERH-ZDUSSCGKSA-N 2 0 300.406 2.317 20 30 DEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001096607727 787756379 /nfs/dbraw/zinc/75/63/79/787756379.db2.gz JBGYTIGUSIIYII-LTIDMASMSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001096611135 787760086 /nfs/dbraw/zinc/76/00/86/787760086.db2.gz JGBKWNXGDBLIEH-QZWWFDLISA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107538 787933723 /nfs/dbraw/zinc/93/37/23/787933723.db2.gz ZZUIUNQAOFOVHD-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266339 787997434 /nfs/dbraw/zinc/99/74/34/787997434.db2.gz WXMXTCTUXNIYQJ-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132424278 788063825 /nfs/dbraw/zinc/06/38/25/788063825.db2.gz DQMJEENEEDXUKZ-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493962 788104184 /nfs/dbraw/zinc/10/41/84/788104184.db2.gz OIMKDCOQLPPVBE-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001133068823 788273066 /nfs/dbraw/zinc/27/30/66/788273066.db2.gz LPOMIBDTFIQNSC-IRXDYDNUSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975815 788305465 /nfs/dbraw/zinc/30/54/65/788305465.db2.gz FJYAAOUYFCIKDT-ZACQAIPSSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345364 788375657 /nfs/dbraw/zinc/37/56/57/788375657.db2.gz BDLKUNZLCHVDLB-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608681 789004338 /nfs/dbraw/zinc/00/43/38/789004338.db2.gz YZJVZLQLCMQWBL-QWHCGFSZSA-N 2 0 301.862 2.096 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808779 789098412 /nfs/dbraw/zinc/09/84/12/789098412.db2.gz LUIAJNYDHQUEEW-KGLIPLIRSA-N 2 0 312.417 2.153 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135470818 789355829 /nfs/dbraw/zinc/35/58/29/789355829.db2.gz CHQAXRWSNMZMLC-HOTGVXAUSA-N 2 0 317.477 2.463 20 30 DEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001170816950 789361326 /nfs/dbraw/zinc/36/13/26/789361326.db2.gz IVCFONAYEIFODZ-WBVHZDCISA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682145 789862561 /nfs/dbraw/zinc/86/25/61/789862561.db2.gz HRWFKLRMLDANOB-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735994 789897961 /nfs/dbraw/zinc/89/79/61/789897961.db2.gz WAVMXOAWYDJHHH-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146397762 791277398 /nfs/dbraw/zinc/27/73/98/791277398.db2.gz IWOMPDRRXBOZNN-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001146583750 791309561 /nfs/dbraw/zinc/30/95/61/791309561.db2.gz PAGQFXWAJWANQG-HZPDHXFCSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147211954 791477365 /nfs/dbraw/zinc/47/73/65/791477365.db2.gz KFKXQDYDOCXZKS-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147348927 791512058 /nfs/dbraw/zinc/51/20/58/791512058.db2.gz JZHXKASHOAAHAG-CQSZACIVSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147743131 791615047 /nfs/dbraw/zinc/61/50/47/791615047.db2.gz ZRUPCDWLOHDHBF-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001147889556 791638845 /nfs/dbraw/zinc/63/88/45/791638845.db2.gz FBESASCIJIGWOA-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171327784 791721980 /nfs/dbraw/zinc/72/19/80/791721980.db2.gz DPVRHFRPTMBTRT-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839946 791809234 /nfs/dbraw/zinc/80/92/34/791809234.db2.gz VQZWNLNJETVMAR-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924029 791853316 /nfs/dbraw/zinc/85/33/16/791853316.db2.gz IFKUKYQEZSGXKQ-BRWVUGGUSA-N 2 0 319.493 2.216 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943474 791858064 /nfs/dbraw/zinc/85/80/64/791858064.db2.gz VMPAUVBJRWONIO-SJORKVTESA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823671 791892195 /nfs/dbraw/zinc/89/21/95/791892195.db2.gz GYLYIWHEVIMMMU-APWZRJJASA-N 2 0 324.428 2.304 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC001092607380 792084124 /nfs/dbraw/zinc/08/41/24/792084124.db2.gz VKFDDEBWWJLSQB-CZUORRHYSA-N 2 0 312.417 2.126 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618168 792097864 /nfs/dbraw/zinc/09/78/64/792097864.db2.gz BAJNRNKCJZFNES-ZJPYXAASSA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115869 792102179 /nfs/dbraw/zinc/10/21/79/792102179.db2.gz KWEYCTJJBMBXFW-IRXDYDNUSA-N 2 0 321.509 2.203 20 30 DEEDRP 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 792236337 /nfs/dbraw/zinc/23/63/37/792236337.db2.gz WMXJZJBSOZAIMJ-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001101027992 792972451 /nfs/dbraw/zinc/97/24/51/792972451.db2.gz VUXZHROSSYHSJB-UHFFFAOYSA-N 2 0 315.461 2.422 20 30 DEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172319835 793398199 /nfs/dbraw/zinc/39/81/99/793398199.db2.gz RLUDWVATICURFC-KRWDZBQOSA-N 2 0 314.477 2.059 20 30 DEEDRP COC(=O)[C@@H]1CCC[C@@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001172610172 793453962 /nfs/dbraw/zinc/45/39/62/793453962.db2.gz IKOHUEIBJQHFIJ-IAGOWNOFSA-N 2 0 317.433 2.385 20 30 DEEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472024 793625560 /nfs/dbraw/zinc/62/55/60/793625560.db2.gz DFZAQHLDFBRLPY-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001174882990 794083063 /nfs/dbraw/zinc/08/30/63/794083063.db2.gz ZYRSNVOTIOIRMJ-QZTJIDSGSA-N 2 0 321.509 2.396 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426746 794087710 /nfs/dbraw/zinc/08/77/10/794087710.db2.gz LDRPYXWOZUNGBV-KZNAEPCWSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928554 794093554 /nfs/dbraw/zinc/09/35/54/794093554.db2.gz JZQLQQWQWCVWGE-HNNXBMFYSA-N 2 0 319.449 2.243 20 30 DEEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550434 794141546 /nfs/dbraw/zinc/14/15/46/794141546.db2.gz QEXDNLTUFBMLLW-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103664844 794181143 /nfs/dbraw/zinc/18/11/43/794181143.db2.gz ZCVIAYLMKUCACN-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001175747887 794277542 /nfs/dbraw/zinc/27/75/42/794277542.db2.gz VXEWYTLTIDEZHT-QGZVFWFLSA-N 2 0 309.498 2.396 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC=C)CC1 ZINC001176738177 794484302 /nfs/dbraw/zinc/48/43/02/794484302.db2.gz PJMAUJQGXFLZDP-QGZVFWFLSA-N 2 0 319.493 2.172 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753295 794498007 /nfs/dbraw/zinc/49/80/07/794498007.db2.gz FHHCGACCPAJRNM-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760439 794498824 /nfs/dbraw/zinc/49/88/24/794498824.db2.gz WOPYXHUQJHLLSD-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937972 794530396 /nfs/dbraw/zinc/53/03/96/794530396.db2.gz FEVBEEPOPBEYNE-LPHOPBHVSA-N 2 0 317.477 2.019 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285169 794588016 /nfs/dbraw/zinc/58/80/16/794588016.db2.gz OKMBATWBZATFCP-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001112380464 794617693 /nfs/dbraw/zinc/61/76/93/794617693.db2.gz JEJCBWMYYOPWIH-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001115118651 794682792 /nfs/dbraw/zinc/68/27/92/794682792.db2.gz JMGNYQGNBROVIR-IMBTUZDBSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297599 794726380 /nfs/dbraw/zinc/72/63/80/794726380.db2.gz ICGQTFIFXMMQCN-IMBTUZDBSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730497 794899662 /nfs/dbraw/zinc/89/96/62/794899662.db2.gz LHCOOVXBPJPQDM-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178816084 795013923 /nfs/dbraw/zinc/01/39/23/795013923.db2.gz TVPBUBYEJZYJPD-IRXDYDNUSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234602 795081139 /nfs/dbraw/zinc/08/11/39/795081139.db2.gz UQQQXFFYRPAEJO-SZMVWBNQSA-N 2 0 319.493 2.406 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001179564955 795131590 /nfs/dbraw/zinc/13/15/90/795131590.db2.gz LIHZZSCXDCXJHN-KRWDZBQOSA-N 2 0 309.498 2.396 20 30 DEEDRP C[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001118087710 795151578 /nfs/dbraw/zinc/15/15/78/795151578.db2.gz DMXYBHRDPQOQQJ-UHFFFAOYSA-N 2 0 314.433 2.208 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179846346 795187626 /nfs/dbraw/zinc/18/76/26/795187626.db2.gz CWMZWRKZXKTOIV-UHFFFAOYSA-N 2 0 303.878 2.347 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001180372618 795293047 /nfs/dbraw/zinc/29/30/47/795293047.db2.gz DUZNZAOGUFETJQ-SFHVURJKSA-N 2 0 321.509 2.396 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440146 795459835 /nfs/dbraw/zinc/45/98/35/795459835.db2.gz MAOZPJGZXGMMCK-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121318461 795616633 /nfs/dbraw/zinc/61/66/33/795616633.db2.gz IOJOQOCLRJSUON-UHFFFAOYSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001121895954 795700786 /nfs/dbraw/zinc/70/07/86/795700786.db2.gz KCHDIXUTUHDBDC-QCAIOMPUSA-N 2 0 316.449 2.181 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182631766 795715704 /nfs/dbraw/zinc/71/57/04/795715704.db2.gz WLJULGQPNSQGNO-MSOLQXFVSA-N 2 0 321.509 2.489 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122055358 795722067 /nfs/dbraw/zinc/72/20/67/795722067.db2.gz BHKYZWGASBNCBB-FIXVGMIGSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185445147 796258718 /nfs/dbraw/zinc/25/87/18/796258718.db2.gz FCDRTALXIGBFRQ-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185501613 796273848 /nfs/dbraw/zinc/27/38/48/796273848.db2.gz HSXJVENCUXJXSX-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185525858 796278460 /nfs/dbraw/zinc/27/84/60/796278460.db2.gz GTCPEMMEMHYTIJ-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001186075500 796353466 /nfs/dbraw/zinc/35/34/66/796353466.db2.gz VSGBGJSYSKTUFF-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186555670 796415502 /nfs/dbraw/zinc/41/55/02/796415502.db2.gz TYFMZFVXCAKEEG-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186555669 796415857 /nfs/dbraw/zinc/41/58/57/796415857.db2.gz TYFMZFVXCAKEEG-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187034475 796481973 /nfs/dbraw/zinc/48/19/73/796481973.db2.gz HFCUSQMMCJBNSN-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018446 796757279 /nfs/dbraw/zinc/75/72/79/796757279.db2.gz QHIVSMXPDDQLQH-BPQIPLTHSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153382267 797332151 /nfs/dbraw/zinc/33/21/51/797332151.db2.gz ZGCLZIMIRRHRNL-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846269 797461288 /nfs/dbraw/zinc/46/12/88/797461288.db2.gz LCRVWPJNDYNRBI-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193027221 797492353 /nfs/dbraw/zinc/49/23/53/797492353.db2.gz NUNYONWAUXKCSK-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193028983 797492660 /nfs/dbraw/zinc/49/26/60/797492660.db2.gz WVIKVLBTJXQMLU-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424835 797564961 /nfs/dbraw/zinc/56/49/61/797564961.db2.gz PYOUYOPZIWXHSO-ROUUACIJSA-N 2 0 315.461 2.398 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246274 797699389 /nfs/dbraw/zinc/69/93/89/797699389.db2.gz KGBKETPBZRCCTR-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612515 797805824 /nfs/dbraw/zinc/80/58/24/797805824.db2.gz XDKUMNPFSRLYBC-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621838 797808285 /nfs/dbraw/zinc/80/82/85/797808285.db2.gz PPJPOMNKQYFVJH-SJORKVTESA-N 2 0 307.482 2.099 20 30 DEEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001156318682 797972872 /nfs/dbraw/zinc/97/28/72/797972872.db2.gz FLBJRMNQFBQCNO-AEFFLSMTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158109 798156565 /nfs/dbraw/zinc/15/65/65/798156565.db2.gz HLYMJQVYNJTZDQ-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158030987 798329216 /nfs/dbraw/zinc/32/92/16/798329216.db2.gz CRFDCQKLSNNCEG-LJQANCHMSA-N 2 0 319.493 2.411 20 30 DEEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199787620 798538626 /nfs/dbraw/zinc/53/86/26/798538626.db2.gz CBPOSYLRSXAELK-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856977 798751236 /nfs/dbraw/zinc/75/12/36/798751236.db2.gz SYBDWOVIOPWRJJ-UHFFFAOYSA-N 2 0 317.477 2.023 20 30 DEEDRP N#Cc1cc(C#N)c(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc1Cl ZINC001160946237 798768133 /nfs/dbraw/zinc/76/81/33/798768133.db2.gz XEJGBXHBVRXKGC-UHFFFAOYSA-N 2 0 322.759 2.318 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161214060 798811214 /nfs/dbraw/zinc/81/12/14/798811214.db2.gz RIEFFNFIGRABOM-GOSISDBHSA-N 2 0 319.493 2.269 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716306 798921235 /nfs/dbraw/zinc/92/12/35/798921235.db2.gz LXEMGWGSKMZOGL-UHFFFAOYSA-N 2 0 317.477 2.187 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924452 798968932 /nfs/dbraw/zinc/96/89/32/798968932.db2.gz CYPUAZLYNFOKDI-IRXDYDNUSA-N 2 0 317.477 2.021 20 30 DEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2c(cc1C#N)CCCC2 ZINC001163128225 799253555 /nfs/dbraw/zinc/25/35/55/799253555.db2.gz FQRRTYRVXQOOQS-UHFFFAOYSA-N 2 0 314.437 2.110 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110847189 799500043 /nfs/dbraw/zinc/50/00/43/799500043.db2.gz JWPJYXLWUZBALQ-ZACQAIPSSA-N 2 0 319.493 2.406 20 30 DEEDRP 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 799689065 /nfs/dbraw/zinc/68/90/65/799689065.db2.gz UFWWTLOMHPSUJM-VSZNYVQBSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001165617329 799751801 /nfs/dbraw/zinc/75/18/01/799751801.db2.gz LHMQREYVFKFSBT-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP 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 799816265 /nfs/dbraw/zinc/81/62/65/799816265.db2.gz WAJXZUMHMMONHK-WCXIOVBPSA-N 2 0 307.482 2.260 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166979531 799997199 /nfs/dbraw/zinc/99/71/99/799997199.db2.gz ZGSOTYYSUIYTNR-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203651172 800099999 /nfs/dbraw/zinc/09/99/99/800099999.db2.gz LWQVCIVBHDTMDB-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C[C@@H](Cc1cccnc1)[NH2+]CC#CC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934230695 800296944 /nfs/dbraw/zinc/29/69/44/800296944.db2.gz WJNNACLSBYGQAL-ROUUACIJSA-N 2 0 322.456 2.221 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284933 800337105 /nfs/dbraw/zinc/33/71/05/800337105.db2.gz UGJMJKLIDJKYLX-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205461551 800360329 /nfs/dbraw/zinc/36/03/29/800360329.db2.gz NDMJEBLIWHRUCG-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616484 800387387 /nfs/dbraw/zinc/38/73/87/800387387.db2.gz HOXMVTCZALNXRN-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP CSc1nc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206003825 800456228 /nfs/dbraw/zinc/45/62/28/800456228.db2.gz MWWXTVGBENIMJF-STQMWFEESA-N 2 0 304.463 2.482 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206275711 800501559 /nfs/dbraw/zinc/50/15/59/800501559.db2.gz ZGMLMYJZCFHSAD-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001206621908 800566640 /nfs/dbraw/zinc/56/66/40/800566640.db2.gz KOTNPXKPUVZPDD-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281835 800722519 /nfs/dbraw/zinc/72/25/19/800722519.db2.gz HSQCCYUSLXCLDZ-FUHWJXTLSA-N 2 0 310.482 2.400 20 30 DEEDRP 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 800854662 /nfs/dbraw/zinc/85/46/62/800854662.db2.gz WRLWGTIHJMRABG-NCOADZHNSA-N 2 0 307.482 2.260 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111234014 800885742 /nfs/dbraw/zinc/88/57/42/800885742.db2.gz ZOQNGUCFLIUIAS-VQHPVUNQSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114746 800915605 /nfs/dbraw/zinc/91/56/05/800915605.db2.gz UDVGQMQDEHFWTI-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208358781 800965894 /nfs/dbraw/zinc/96/58/94/800965894.db2.gz NFZHCQQOFNOJBD-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208769934 801065143 /nfs/dbraw/zinc/06/51/43/801065143.db2.gz NBDLWNBZCOHNCZ-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001209267907 801163389 /nfs/dbraw/zinc/16/33/89/801163389.db2.gz XXURBNNZUXSSSD-QYZOEREBSA-N 2 0 314.477 2.470 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001230349350 801391175 /nfs/dbraw/zinc/39/11/75/801391175.db2.gz VJTDWEHLEDGHHZ-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001210634771 801436616 /nfs/dbraw/zinc/43/66/16/801436616.db2.gz SWHCICZGGHUAQU-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750332 801457885 /nfs/dbraw/zinc/45/78/85/801457885.db2.gz BVIRDOZCOXATHS-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948716 801781694 /nfs/dbraw/zinc/78/16/94/801781694.db2.gz XMTQRXNJNQYRNF-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001215224634 801823219 /nfs/dbraw/zinc/82/32/19/801823219.db2.gz VJFGEQWKJFQFOG-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC001232844760 801970741 /nfs/dbraw/zinc/97/07/41/801970741.db2.gz CQHCEJOFHBITJR-UHFFFAOYSA-N 2 0 318.490 2.079 20 30 DEEDRP CC1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CCC([NH3+])CC1 ZINC001218553423 802204189 /nfs/dbraw/zinc/20/41/89/802204189.db2.gz PLYZAJMQAKVBMV-UHFFFAOYSA-N 2 0 318.446 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811632 802618099 /nfs/dbraw/zinc/61/80/99/802618099.db2.gz CUZXOGZSRKKNIY-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223495457 802795115 /nfs/dbraw/zinc/79/51/15/802795115.db2.gz PUSOOGKCTNZILK-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224261532 802852698 /nfs/dbraw/zinc/85/26/98/802852698.db2.gz VAZHIEZQAXDRDY-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)CCCn2ccnc2)CC1 ZINC001225652475 802995924 /nfs/dbraw/zinc/99/59/24/802995924.db2.gz GXUFCEKURQMBEC-UHFFFAOYSA-N 2 0 304.438 2.068 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001226767293 803155265 /nfs/dbraw/zinc/15/52/65/803155265.db2.gz VGSBRKPTSWQKFG-KZNAEPCWSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227158325 803209269 /nfs/dbraw/zinc/20/92/69/803209269.db2.gz FRTMBNRXDUZDGU-ZIAGYGMSSA-N 2 0 315.889 2.486 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443423 803241564 /nfs/dbraw/zinc/24/15/64/803241564.db2.gz KCFSGAIABYUGJO-BFYDXBDKSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001330915976 1149333345 /nfs/dbraw/zinc/33/33/45/1149333345.db2.gz LTCANWVPTQENTM-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419810728 1168855950 /nfs/dbraw/zinc/85/59/50/1168855950.db2.gz ZLZXPSPSIGGNMI-LSDHHAIUSA-N 2 0 315.889 2.201 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)C)CC1 ZINC001331644539 1149572380 /nfs/dbraw/zinc/57/23/80/1149572380.db2.gz NTSJGOKYIWMXCW-QGZVFWFLSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001328588622 1148813807 /nfs/dbraw/zinc/81/38/07/1148813807.db2.gz HUCBDQKHWKJILJ-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]cnc2C)C1 ZINC001328950450 1148851507 /nfs/dbraw/zinc/85/15/07/1148851507.db2.gz RAKHOAPUFKBKGF-GRTSSRMGSA-N 2 0 304.438 2.100 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]cnc2C)C1 ZINC001328950451 1148851363 /nfs/dbraw/zinc/85/13/63/1148851363.db2.gz RAKHOAPUFKBKGF-LRVUVFPRSA-N 2 0 304.438 2.100 20 30 DEEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001500048839 1058452698 /nfs/dbraw/zinc/45/26/98/1058452698.db2.gz WHWYEGDEHHRYBG-QGZVFWFLSA-N 2 0 321.509 2.301 20 30 DEEDRP C#CC[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001500461925 1058805429 /nfs/dbraw/zinc/80/54/29/1058805429.db2.gz COFPNUIMEYDZPF-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001500495401 1058855472 /nfs/dbraw/zinc/85/54/72/1058855472.db2.gz DKUMMLQNWNMXON-IEBWSBKVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001501051381 1059234016 /nfs/dbraw/zinc/23/40/16/1059234016.db2.gz VNWZVURIZOYTGB-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001501404628 1059491429 /nfs/dbraw/zinc/49/14/29/1059491429.db2.gz SKTQUBSHYSYOLG-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001501698611 1059649980 /nfs/dbraw/zinc/64/99/80/1059649980.db2.gz PJGTUPVYXWZYOZ-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505436638 1060592411 /nfs/dbraw/zinc/59/24/11/1060592411.db2.gz BBLVZQDLWXXQOQ-DLBZAZTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001505845545 1061028106 /nfs/dbraw/zinc/02/81/06/1061028106.db2.gz RLRICQDUKMVELI-CQSZACIVSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001479251397 1061328009 /nfs/dbraw/zinc/32/80/09/1061328009.db2.gz FZXVTWIPHIDVHC-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001479557706 1061502477 /nfs/dbraw/zinc/50/24/77/1061502477.db2.gz RFUIVKLBZNXSHV-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001479721444 1061642106 /nfs/dbraw/zinc/64/21/06/1061642106.db2.gz HLCGQFQDJADFQL-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001506559020 1062128545 /nfs/dbraw/zinc/12/85/45/1062128545.db2.gz NRSOXYJKDDWILZ-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001506663727 1062253574 /nfs/dbraw/zinc/25/35/74/1062253574.db2.gz VWCOGGHMKIAWBB-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506753045 1062364772 /nfs/dbraw/zinc/36/47/72/1062364772.db2.gz MCLCOSDKBKMYAK-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480386378 1062769155 /nfs/dbraw/zinc/76/91/55/1062769155.db2.gz JHKZJTZMUKZOCW-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480669819 1063165103 /nfs/dbraw/zinc/16/51/03/1063165103.db2.gz VYYOWCMPGHFUGE-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001507417098 1063256599 /nfs/dbraw/zinc/25/65/99/1063256599.db2.gz SGDGTCGHGZHGFD-NVXWUHKLSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCCC)C(C)(C)C)CC1 ZINC001508034330 1063509101 /nfs/dbraw/zinc/50/91/01/1063509101.db2.gz DRXZNOWNPLFEAO-QGZVFWFLSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001493260815 1063677194 /nfs/dbraw/zinc/67/71/94/1063677194.db2.gz UQGGPRFSTSQTQF-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494047050 1064101563 /nfs/dbraw/zinc/10/15/63/1064101563.db2.gz GQXGGHRIZJMGNF-LSDHHAIUSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494178397 1064160150 /nfs/dbraw/zinc/16/01/50/1064160150.db2.gz IYFVQPOYDXJICZ-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494299866 1064205148 /nfs/dbraw/zinc/20/51/48/1064205148.db2.gz WOCHWKGUDDECOU-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567738655 1064390040 /nfs/dbraw/zinc/39/00/40/1064390040.db2.gz RFSVFNCHYTTZFC-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001494875556 1064536812 /nfs/dbraw/zinc/53/68/12/1064536812.db2.gz KLDGXRRCXPIWNX-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]cn2)cc1 ZINC001568120807 1064657109 /nfs/dbraw/zinc/65/71/09/1064657109.db2.gz CHFNLHGOWQMGOH-HNNXBMFYSA-N 2 0 324.428 2.018 20 30 DEEDRP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001568437989 1064872633 /nfs/dbraw/zinc/87/26/33/1064872633.db2.gz PBXIHADFRLXFQH-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001568695260 1065054941 /nfs/dbraw/zinc/05/49/41/1065054941.db2.gz ZOYJHPKTJRZEDP-AWEZNQCLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCC1 ZINC001495949007 1065190669 /nfs/dbraw/zinc/19/06/69/1065190669.db2.gz MTYCIODJTHZLPH-MRXNPFEDSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001496311545 1065400283 /nfs/dbraw/zinc/40/02/83/1065400283.db2.gz JSBNYNQETOWJKN-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001569317911 1065426318 /nfs/dbraw/zinc/42/63/18/1065426318.db2.gz HFMQTOSWVCCKLG-YOEHRIQHSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001569442196 1065508766 /nfs/dbraw/zinc/50/87/66/1065508766.db2.gz KATPGPKRNYMHJD-ALOPSCKCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001569481203 1065534335 /nfs/dbraw/zinc/53/43/35/1065534335.db2.gz QJQCTEDBRPPDDO-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001569668933 1065660435 /nfs/dbraw/zinc/66/04/35/1065660435.db2.gz DFOFDUFOVLBAAH-FUHWJXTLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001569865045 1065776024 /nfs/dbraw/zinc/77/60/24/1065776024.db2.gz RBNVJRUZAHSFDQ-WKILWMFISA-N 2 0 307.482 2.026 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001569880056 1065790717 /nfs/dbraw/zinc/79/07/17/1065790717.db2.gz LJPMGEJNWKHSRY-NCOADZHNSA-N 2 0 307.482 2.072 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001570045863 1065901689 /nfs/dbraw/zinc/90/16/89/1065901689.db2.gz UMMHMXTUEYPORB-BZSNNMDCSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001570255153 1065992917 /nfs/dbraw/zinc/99/29/17/1065992917.db2.gz RYSJZYHRRRSZAB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001570448647 1066077589 /nfs/dbraw/zinc/07/75/89/1066077589.db2.gz GKLGKIZKEWZJGZ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497712202 1066258637 /nfs/dbraw/zinc/25/86/37/1066258637.db2.gz CRDLXIIKFYGABD-WAYWQWQTSA-N 2 0 307.482 2.335 20 30 DEEDRP C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC001576253752 1066537002 /nfs/dbraw/zinc/53/70/02/1066537002.db2.gz ZBTLYOYNBPOKFZ-YOEHRIQHSA-N 2 0 323.444 2.436 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001632673808 1078388933 /nfs/dbraw/zinc/38/89/33/1078388933.db2.gz MIJGQQOTNUPNPP-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001498897381 1066945406 /nfs/dbraw/zinc/94/54/06/1066945406.db2.gz CXNDJTYSVIYFOM-HOTGVXAUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001499130751 1067110953 /nfs/dbraw/zinc/11/09/53/1067110953.db2.gz BXYOWLBVCFWTFC-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC001580035810 1067477660 /nfs/dbraw/zinc/47/76/60/1067477660.db2.gz HCRXPRDBIMBDEX-YJBOKZPZSA-N 2 0 316.424 2.008 20 30 DEEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483486960 1078564187 /nfs/dbraw/zinc/56/41/87/1078564187.db2.gz QFPFWALDOMPKRQ-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001267108359 1078586190 /nfs/dbraw/zinc/58/61/90/1078586190.db2.gz NIQZZGVPLSLXFR-MRXNPFEDSA-N 2 0 318.465 2.242 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570689357 1068069740 /nfs/dbraw/zinc/06/97/40/1068069740.db2.gz WGNAVYXTPXSESY-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267182130 1078645885 /nfs/dbraw/zinc/64/58/85/1078645885.db2.gz VEOPRXAHCSALPA-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570810633 1068125060 /nfs/dbraw/zinc/12/50/60/1068125060.db2.gz TYSXUNZFFSAROL-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267191807 1078653819 /nfs/dbraw/zinc/65/38/19/1078653819.db2.gz YZOJGULYHRSKRL-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001570823090 1068128873 /nfs/dbraw/zinc/12/88/73/1068128873.db2.gz QSQOARXIYKJMAH-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001571022039 1068174644 /nfs/dbraw/zinc/17/46/44/1068174644.db2.gz LEEGZUUBKPJDNM-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571152691 1068187931 /nfs/dbraw/zinc/18/79/31/1068187931.db2.gz QDFZABGIGVUQOA-BFYDXBDKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001571334237 1068228090 /nfs/dbraw/zinc/22/80/90/1068228090.db2.gz QWXUBMNLOZQJOH-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001571511558 1068369078 /nfs/dbraw/zinc/36/90/78/1068369078.db2.gz SQBMKIIAGGTKPB-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001571558070 1068419170 /nfs/dbraw/zinc/41/91/70/1068419170.db2.gz AXPFCRXPDUIPAF-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCN(Cc2ccc(CC)cc2)CC1 ZINC001644522292 1078848781 /nfs/dbraw/zinc/84/87/81/1078848781.db2.gz DLKVADPEHKRVGJ-UHFFFAOYSA-N 2 0 315.461 2.011 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2ccnc2C)C1 ZINC001267496039 1078921922 /nfs/dbraw/zinc/92/19/22/1078921922.db2.gz KTPKWXQHOLPONP-MRXNPFEDSA-N 2 0 304.438 2.081 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566534203 1072618416 /nfs/dbraw/zinc/61/84/16/1072618416.db2.gz JMAAHWJCDZLQOH-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001483817271 1079131374 /nfs/dbraw/zinc/13/13/74/1079131374.db2.gz FSQBISIPJFVUKS-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001649471853 1079133448 /nfs/dbraw/zinc/13/34/48/1079133448.db2.gz LOCDVPLXYQMRRL-ROUUACIJSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267603127 1079154404 /nfs/dbraw/zinc/15/44/04/1079154404.db2.gz MAMDAXZQRJDMJW-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001483936121 1079195530 /nfs/dbraw/zinc/19/55/30/1079195530.db2.gz BXGIQDYOVWVIEL-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481125062 1079222408 /nfs/dbraw/zinc/22/24/08/1079222408.db2.gz AOWOTAWILOFOMO-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCCC)CC1 ZINC001483986878 1079227344 /nfs/dbraw/zinc/22/73/44/1079227344.db2.gz VOLAIKRKNPSSNC-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001481136370 1079243769 /nfs/dbraw/zinc/24/37/69/1079243769.db2.gz BGNHKZQGUWMQAQ-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163060 1079337936 /nfs/dbraw/zinc/33/79/36/1079337936.db2.gz GQYIJGOZJNWZCQ-SFHVURJKSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001565830474 1075192261 /nfs/dbraw/zinc/19/22/61/1075192261.db2.gz WGABOCJJWVKQTP-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566076317 1075225324 /nfs/dbraw/zinc/22/53/24/1075225324.db2.gz VTHARJOSYWAHIE-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001566790788 1075345554 /nfs/dbraw/zinc/34/55/54/1075345554.db2.gz YCHCOJBQUREPRH-VQHPVUNQSA-N 2 0 307.482 2.451 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566804366 1075349692 /nfs/dbraw/zinc/34/96/92/1075349692.db2.gz ZJZUWTSZBDUQSO-CKEIUWERSA-N 2 0 311.445 2.012 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001566808920 1075350179 /nfs/dbraw/zinc/35/01/79/1075350179.db2.gz FSDBWRXHQRAIOV-VQHPVUNQSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001566813829 1075350907 /nfs/dbraw/zinc/35/09/07/1075350907.db2.gz PHQIYMUSAWQHKN-QAETUUGQSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267703648 1079392360 /nfs/dbraw/zinc/39/23/60/1079392360.db2.gz SOGNSBDRJHNOBP-IAGOWNOFSA-N 2 0 309.498 2.319 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001566913237 1075383258 /nfs/dbraw/zinc/38/32/58/1075383258.db2.gz NTFWAFUSMXUAGG-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP 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 1075405686 /nfs/dbraw/zinc/40/56/86/1075405686.db2.gz WADFBHTXBUSADV-HTBDUDNFSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001567126647 1075438082 /nfs/dbraw/zinc/43/80/82/1075438082.db2.gz AZUAUAPTLVMDOR-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567155915 1075447867 /nfs/dbraw/zinc/44/78/67/1075447867.db2.gz ZZWNRNRDPUIEQY-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567195526 1075460658 /nfs/dbraw/zinc/46/06/58/1075460658.db2.gz QWKKAQXCCIGXKO-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001267758019 1079460317 /nfs/dbraw/zinc/46/03/17/1079460317.db2.gz HUHPTMFJEURPNS-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267769185 1079474451 /nfs/dbraw/zinc/47/44/51/1079474451.db2.gz AUOIDIKXXGAINT-JKSUJKDBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267901106 1079587130 /nfs/dbraw/zinc/58/71/30/1079587130.db2.gz ULHYGGWHKZZHLK-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001267948361 1079627355 /nfs/dbraw/zinc/62/73/55/1079627355.db2.gz AYPMFTAIAXMZFP-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001484555485 1079661586 /nfs/dbraw/zinc/66/15/86/1079661586.db2.gz OEBPKSUCDOELRY-QGZVFWFLSA-N 2 0 301.434 2.015 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001484567970 1079665274 /nfs/dbraw/zinc/66/52/74/1079665274.db2.gz BKWJYDUXJPOOSL-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001268045086 1079930539 /nfs/dbraw/zinc/93/05/39/1079930539.db2.gz QCTLAJMOAKBNPU-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001481487527 1079944870 /nfs/dbraw/zinc/94/48/70/1079944870.db2.gz DQQQLEUQGGGOJE-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001656338315 1080078863 /nfs/dbraw/zinc/07/88/63/1080078863.db2.gz YLBNSPFGZLTRFN-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001656346412 1080081144 /nfs/dbraw/zinc/08/11/44/1080081144.db2.gz WTGMIWCLQPEQMO-BBWFWOEESA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001485255573 1080103160 /nfs/dbraw/zinc/10/31/60/1080103160.db2.gz LYGLSFYRRMKPLW-QGZVFWFLSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001656839906 1080128929 /nfs/dbraw/zinc/12/89/29/1080128929.db2.gz NGDXPIFAWUTANM-KURKYZTESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001670792884 1080157207 /nfs/dbraw/zinc/15/72/07/1080157207.db2.gz DFCNHTLDWGFMSB-UHFFFAOYSA-N 2 0 307.463 2.238 20 30 DEEDRP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485467435 1080222859 /nfs/dbraw/zinc/22/28/59/1080222859.db2.gz CMNUICXTMPXGPD-ULQDDVLXSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001660474101 1080336514 /nfs/dbraw/zinc/33/65/14/1080336514.db2.gz AJZOEWPRCCSHAS-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001660475381 1080336559 /nfs/dbraw/zinc/33/65/59/1080336559.db2.gz MMSLNRRLWQUTES-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268366612 1080377456 /nfs/dbraw/zinc/37/74/56/1080377456.db2.gz NZMTXSHTICKTPA-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001481729498 1080397447 /nfs/dbraw/zinc/39/74/47/1080397447.db2.gz WDSUEACAXKQUOO-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001662581944 1080618069 /nfs/dbraw/zinc/61/80/69/1080618069.db2.gz OGCWTCGBSOFEHM-HNNXBMFYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(NC(=O)Cc2c[nH]cn2)CCCC[C@@H]1C ZINC001481961795 1080652915 /nfs/dbraw/zinc/65/29/15/1080652915.db2.gz OCLWPQTZDQCRDV-YOEHRIQHSA-N 2 0 304.438 2.183 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001482018257 1080690592 /nfs/dbraw/zinc/69/05/92/1080690592.db2.gz NHVHGKFRNMCKMH-XLAORIBOSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664726246 1080949807 /nfs/dbraw/zinc/94/98/07/1080949807.db2.gz GUQRUIUJDZVJFV-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001664739651 1080952498 /nfs/dbraw/zinc/95/24/98/1080952498.db2.gz CBKINIWEDLQZJE-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001665617397 1081046811 /nfs/dbraw/zinc/04/68/11/1081046811.db2.gz QGUJINRYICBSIY-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665737136 1081072392 /nfs/dbraw/zinc/07/23/92/1081072392.db2.gz GZQFQDGFVSAFIC-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665737138 1081073414 /nfs/dbraw/zinc/07/34/14/1081073414.db2.gz GZQFQDGFVSAFIC-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001666767476 1081179960 /nfs/dbraw/zinc/17/99/60/1081179960.db2.gz HFNRMSLKBJEVFJ-SJORKVTESA-N 2 0 317.477 2.045 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001269239984 1081180229 /nfs/dbraw/zinc/18/02/29/1081180229.db2.gz GFKPLMDCSMDPGX-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001269416297 1081245073 /nfs/dbraw/zinc/24/50/73/1081245073.db2.gz ROYQCXTWRKRQGP-HNNXBMFYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001667472493 1081255170 /nfs/dbraw/zinc/25/51/70/1081255170.db2.gz ARJBLZSBEWPUGN-SJORKVTESA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001269558142 1081290746 /nfs/dbraw/zinc/29/07/46/1081290746.db2.gz WXDWYVVJLXDQKD-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)CCCC[NH+](C)C)CCCC[C@@H]1C ZINC001269678092 1081330937 /nfs/dbraw/zinc/33/09/37/1081330937.db2.gz YHZQOYNDNZMLLE-FUHWJXTLSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669001054 1081417758 /nfs/dbraw/zinc/41/77/58/1081417758.db2.gz KCNZOPAZKAPBKP-IGSWWEIZSA-N 2 0 307.482 2.333 20 30 DEEDRP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669962097 1081483851 /nfs/dbraw/zinc/48/38/51/1081483851.db2.gz SAMMMTWYSDGXAY-MAUKXSAKSA-N 2 0 324.428 2.154 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001669986316 1081487493 /nfs/dbraw/zinc/48/74/93/1081487493.db2.gz QWQPZHUTOXPDSX-MSOLQXFVSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671887336 1081546384 /nfs/dbraw/zinc/54/63/84/1081546384.db2.gz NAZYJOCEKUDKET-PKOBYXMFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001672419530 1081595621 /nfs/dbraw/zinc/59/56/21/1081595621.db2.gz LJPMGEJNWKHSRY-MWDXBVQZSA-N 2 0 307.482 2.072 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672538026 1081610674 /nfs/dbraw/zinc/61/06/74/1081610674.db2.gz MMCKEDWMMSUOIC-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCC1 ZINC001270749126 1081624290 /nfs/dbraw/zinc/62/42/90/1081624290.db2.gz LFBUFYQXLNRHIC-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001673385974 1081762806 /nfs/dbraw/zinc/76/28/06/1081762806.db2.gz HSLSCXKARRDRIL-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001674354147 1081863346 /nfs/dbraw/zinc/86/33/46/1081863346.db2.gz XFBPJCQMKZDXSR-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674685911 1081905302 /nfs/dbraw/zinc/90/53/02/1081905302.db2.gz BJQNNUOYFDGNJX-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001482478532 1081971526 /nfs/dbraw/zinc/97/15/26/1081971526.db2.gz NOFCVZDSMQKCCU-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001482478533 1081971561 /nfs/dbraw/zinc/97/15/61/1081971561.db2.gz NOFCVZDSMQKCCU-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266472667 1082059856 /nfs/dbraw/zinc/05/98/56/1082059856.db2.gz OPOGWUHZDSATTJ-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP N#CCCCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486531 1082076219 /nfs/dbraw/zinc/07/62/19/1082076219.db2.gz COGDBRXBBGXHKC-UHFFFAOYSA-N 2 0 301.434 2.297 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001271560826 1082081418 /nfs/dbraw/zinc/08/14/18/1082081418.db2.gz MNYIKOFPHJKBFA-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271665634 1082104706 /nfs/dbraw/zinc/10/47/06/1082104706.db2.gz MAIYQSVJOZDENU-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266872684 1082421490 /nfs/dbraw/zinc/42/14/90/1082421490.db2.gz NEZTUBVQLRJARV-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001482686486 1082483974 /nfs/dbraw/zinc/48/39/74/1082483974.db2.gz WEYVUKVCPKHDJV-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001276602546 1083508982 /nfs/dbraw/zinc/50/89/82/1083508982.db2.gz AKFQKQRJGZNLFD-MSOLQXFVSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001490904334 1083883138 /nfs/dbraw/zinc/88/31/38/1083883138.db2.gz ADQZETIJZXCLDR-QKPAOTATSA-N 2 0 316.449 2.037 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491122403 1084088230 /nfs/dbraw/zinc/08/82/30/1084088230.db2.gz IYNRXUHMPAEQMD-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CC2(C[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277779479 1084145046 /nfs/dbraw/zinc/14/50/46/1084145046.db2.gz IISQXEACLSRNCE-INIZCTEOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001491561423 1084156270 /nfs/dbraw/zinc/15/62/70/1084156270.db2.gz VUUUIGQAYRDKQP-NVXWUHKLSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491284287 1084209353 /nfs/dbraw/zinc/20/93/53/1084209353.db2.gz RPDUUUDTNQPKIX-ZWKOTPCHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCOc1cccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235009769 1084270562 /nfs/dbraw/zinc/27/05/62/1084270562.db2.gz ZACVAWHOHHWHCE-IBGZPJMESA-N 2 0 316.445 2.453 20 30 DEEDRP C=CCN(CC[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C(=O)OCC ZINC001235153429 1084329023 /nfs/dbraw/zinc/32/90/23/1084329023.db2.gz SDWUHYWWAHVYFB-KRWDZBQOSA-N 2 0 323.481 2.485 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001486129617 1085078903 /nfs/dbraw/zinc/07/89/03/1085078903.db2.gz NKVBHEJKDVOUJL-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001486175675 1085105970 /nfs/dbraw/zinc/10/59/70/1085105970.db2.gz GDRDXKXDAYCQJG-FUHWJXTLSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000965345656 1085593735 /nfs/dbraw/zinc/59/37/35/1085593735.db2.gz CDKPDZVZENJRCR-RFSHTEQGSA-N 2 0 319.493 2.452 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000965566798 1085621833 /nfs/dbraw/zinc/62/18/33/1085621833.db2.gz ZIPAXQIKIMTIAG-UHFFFAOYSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961570873 1085791426 /nfs/dbraw/zinc/79/14/26/1085791426.db2.gz ZUJJKHLYYDZXCB-XWTMOSNGSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CCNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001273144420 1086769086 /nfs/dbraw/zinc/76/90/86/1086769086.db2.gz PURZOACARBVLOD-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848537 1088472002 /nfs/dbraw/zinc/47/20/02/1088472002.db2.gz ATRXTQRQUVIKFG-IXDOHACOSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095902967 1089093268 /nfs/dbraw/zinc/09/32/68/1089093268.db2.gz VVTXBKYAGCUDJZ-NCOADZHNSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084471709 1090299154 /nfs/dbraw/zinc/29/91/54/1090299154.db2.gz IMABVDSVMCGVKS-CRAIPNDOSA-N 2 0 324.428 2.365 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120128944 1090650446 /nfs/dbraw/zinc/65/04/46/1090650446.db2.gz BLXYECWYJZSZNF-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001273419534 1091324642 /nfs/dbraw/zinc/32/46/42/1091324642.db2.gz WOGVISATFWDONA-HZPDHXFCSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001276042056 1091472435 /nfs/dbraw/zinc/47/24/35/1091472435.db2.gz VJDUGGRVXIFRRP-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001006443811 1092170627 /nfs/dbraw/zinc/17/06/27/1092170627.db2.gz ONSZBEHBXHERKZ-HOTGVXAUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001489057757 1092896819 /nfs/dbraw/zinc/89/68/19/1092896819.db2.gz XDQJBBOEOMXNKP-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490772717 1093522221 /nfs/dbraw/zinc/52/22/21/1093522221.db2.gz QTCCXLCBLLZVMH-SJORKVTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001274124938 1093809407 /nfs/dbraw/zinc/80/94/07/1093809407.db2.gz LIZRWVXJCRUKOM-UIZHIOIMSA-N 2 0 305.466 2.232 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001278007990 1138420825 /nfs/dbraw/zinc/42/08/25/1138420825.db2.gz ZEKDPNSJNGAKKG-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCOc1cccc(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236932373 1138461029 /nfs/dbraw/zinc/46/10/29/1138461029.db2.gz MLFNFHBWOVSDQB-GOSISDBHSA-N 2 0 317.477 2.367 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001318608481 1140371924 /nfs/dbraw/zinc/37/19/24/1140371924.db2.gz VWJRSRPEMHJPQO-QGZVFWFLSA-N 2 0 303.450 2.422 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001318652963 1140379094 /nfs/dbraw/zinc/37/90/94/1140379094.db2.gz MOWKCEMFVORRCY-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001319132422 1140510947 /nfs/dbraw/zinc/51/09/47/1140510947.db2.gz LTQKMKFOXNWRAR-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001319620051 1140627152 /nfs/dbraw/zinc/62/71/52/1140627152.db2.gz FFFWRGKBCPXDPV-INIZCTEOSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH+](C)CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001319891302 1140800651 /nfs/dbraw/zinc/80/06/51/1140800651.db2.gz TVERKRHUTRYZJB-CALCHBBNSA-N 2 0 319.493 2.053 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC[NH2+]CC2)c2ccccc2)CCN1 ZINC001246395125 1140893559 /nfs/dbraw/zinc/89/35/59/1140893559.db2.gz MRBNJLJHKJRMNA-GBESFXJTSA-N 2 0 312.461 2.351 20 30 DEEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)C1 ZINC001246550200 1140953951 /nfs/dbraw/zinc/95/39/51/1140953951.db2.gz MGRMNWHIRBEMGG-LZLYRXPVSA-N 2 0 321.465 2.237 20 30 DEEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246769756 1141054485 /nfs/dbraw/zinc/05/44/85/1141054485.db2.gz RLBUMXWUBWZYQS-CIQAELJKSA-N 2 0 306.450 2.096 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001322368353 1141543744 /nfs/dbraw/zinc/54/37/44/1141543744.db2.gz BCQRYBVDHDIVCR-IAGOWNOFSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001323287747 1141837604 /nfs/dbraw/zinc/83/76/04/1141837604.db2.gz UHIDDWFEUBTWHA-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640253 1141873069 /nfs/dbraw/zinc/87/30/69/1141873069.db2.gz CQITWIQAXYCBBR-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001323704986 1141878674 /nfs/dbraw/zinc/87/86/74/1141878674.db2.gz MLMAGJNJTKRFMV-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001323860713 1141894056 /nfs/dbraw/zinc/89/40/56/1141894056.db2.gz UNNDZHWOWJOUIK-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001324071187 1142000434 /nfs/dbraw/zinc/00/04/34/1142000434.db2.gz FEBWVBJMHOQPPQ-GOEBONIOSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001324555586 1142099212 /nfs/dbraw/zinc/09/92/12/1142099212.db2.gz ACIRWPVQAMODAS-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001324555587 1142099570 /nfs/dbraw/zinc/09/95/70/1142099570.db2.gz ACIRWPVQAMODAS-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278571269 1142211671 /nfs/dbraw/zinc/21/16/71/1142211671.db2.gz DISGIIOWCAXXPW-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC001336813159 1142583429 /nfs/dbraw/zinc/58/34/29/1142583429.db2.gz ZMKDAZIIYWPHTD-NVXWUHKLSA-N 2 0 322.497 2.186 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252119631 1142647787 /nfs/dbraw/zinc/64/77/87/1142647787.db2.gz CFDRPIUMZXUPTI-GOSISDBHSA-N 2 0 313.530 2.325 20 30 DEEDRP CN(CC[NH3+])CC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013169 1143879557 /nfs/dbraw/zinc/87/95/57/1143879557.db2.gz BVQXHGWQYWROSC-UHFFFAOYSA-N 2 0 300.450 2.065 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001264183343 1144500476 /nfs/dbraw/zinc/50/04/76/1144500476.db2.gz OMOOUPHVQXXBLF-KRWDZBQOSA-N 2 0 324.428 2.202 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001264185815 1144501438 /nfs/dbraw/zinc/50/14/38/1144501438.db2.gz KRWDJRFNAQLSRL-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001279104650 1144561074 /nfs/dbraw/zinc/56/10/74/1144561074.db2.gz LBGDOJDCTQXULB-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001264751904 1144607309 /nfs/dbraw/zinc/60/73/09/1144607309.db2.gz QVORBOSKHOUHFI-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001265193705 1144664089 /nfs/dbraw/zinc/66/40/89/1144664089.db2.gz REPCBNSPZMITHF-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001265197432 1144664623 /nfs/dbraw/zinc/66/46/23/1144664623.db2.gz QJQALIDNUPSEEH-KRWDZBQOSA-N 2 0 307.482 2.053 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265394951 1144701817 /nfs/dbraw/zinc/70/18/17/1144701817.db2.gz MANJTAVCEZCZKB-BZSNNMDCSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265444340 1144704412 /nfs/dbraw/zinc/70/44/12/1144704412.db2.gz RSJGXKUEUJFRQW-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001265644844 1144721707 /nfs/dbraw/zinc/72/17/07/1144721707.db2.gz CMFMFRMOXUFHGD-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001265880702 1144750557 /nfs/dbraw/zinc/75/05/57/1144750557.db2.gz QKQYAEAQUIWSMI-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001265947618 1144765910 /nfs/dbraw/zinc/76/59/10/1144765910.db2.gz QZWRJXWZDRVFON-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001265995249 1144780427 /nfs/dbraw/zinc/78/04/27/1144780427.db2.gz USEPFMCLKOQWLD-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654745 1144826879 /nfs/dbraw/zinc/82/68/79/1144826879.db2.gz YBROQBVVHNTOOX-INIZCTEOSA-N 2 0 305.466 2.185 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCC1 ZINC001280544656 1144844629 /nfs/dbraw/zinc/84/46/29/1144844629.db2.gz DMDBJGBXNDATPN-UHFFFAOYSA-N 2 0 313.445 2.014 20 30 DEEDRP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001281004214 1144868032 /nfs/dbraw/zinc/86/80/32/1144868032.db2.gz KDYXNHQDHGHMPY-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001281796486 1144914567 /nfs/dbraw/zinc/91/45/67/1144914567.db2.gz ZJHZLDZDYCXEKM-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001281969956 1144925317 /nfs/dbraw/zinc/92/53/17/1144925317.db2.gz XTLJMCKHYWWGRS-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CCCC)CC1 ZINC001282334690 1145040391 /nfs/dbraw/zinc/04/03/91/1145040391.db2.gz FRFSMEQEWSVLJA-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001282996258 1145229219 /nfs/dbraw/zinc/22/92/19/1145229219.db2.gz LUJONXOCZOXDBN-QRQLOZEOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001283310661 1145355528 /nfs/dbraw/zinc/35/55/28/1145355528.db2.gz NUXJDWDOSKHXEF-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001283324813 1145362916 /nfs/dbraw/zinc/36/29/16/1145362916.db2.gz FYUMFHYZZMSIBD-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001316641020 1146315033 /nfs/dbraw/zinc/31/50/33/1146315033.db2.gz GUIMMRFSJGXEKY-DSPLQEQRSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001366234747 1147145288 /nfs/dbraw/zinc/14/52/88/1147145288.db2.gz XTKKNNFQFBPWGC-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001316933630 1147573554 /nfs/dbraw/zinc/57/35/54/1147573554.db2.gz JDPSMIWDDZQWTR-KRWDZBQOSA-N 2 0 309.498 2.462 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001316787635 1147599762 /nfs/dbraw/zinc/59/97/62/1147599762.db2.gz NUNHNEYTKMSJRP-WBVHZDCISA-N 2 0 319.493 2.242 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317037884 1147651469 /nfs/dbraw/zinc/65/14/69/1147651469.db2.gz BWXQDAWEMQSBJX-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317502953 1147716596 /nfs/dbraw/zinc/71/65/96/1147716596.db2.gz VJXHBAIVCLRUFD-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001318129364 1147779658 /nfs/dbraw/zinc/77/96/58/1147779658.db2.gz OJKJMZKCDCVOMF-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318347005 1147814003 /nfs/dbraw/zinc/81/40/03/1147814003.db2.gz NNPREAWRDHSXTP-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001325467289 1147919890 /nfs/dbraw/zinc/91/98/90/1147919890.db2.gz RPGICWBKESFZJS-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP CCc1ccc(CNC(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)=[NH+]C)s1 ZINC000261754291 529638075 /nfs/dbraw/zinc/63/80/75/529638075.db2.gz MFQKARMQEANYRO-MLGOLLRUSA-N 2 0 320.506 2.458 20 30 DEEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000264068326 529792356 /nfs/dbraw/zinc/79/23/56/529792356.db2.gz CEEWSRMYLWZQQJ-JTQLQIEISA-N 2 0 316.327 2.264 20 30 DEEDRP CC(C)[N@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181653865 356089554 /nfs/dbraw/zinc/08/95/54/356089554.db2.gz RYCSXUWLBHTAHP-UHFFFAOYSA-N 2 0 314.477 2.452 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000593323759 358054374 /nfs/dbraw/zinc/05/43/74/358054374.db2.gz WMSUNBDRAQJRBA-GOSISDBHSA-N 2 0 312.461 2.254 20 30 DEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598724293 359306109 /nfs/dbraw/zinc/30/61/09/359306109.db2.gz NTXDSYJMGBDXAA-MSOLQXFVSA-N 2 0 315.461 2.399 20 30 DEEDRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000602641900 360472828 /nfs/dbraw/zinc/47/28/28/360472828.db2.gz URCRYUNUBZMESR-GOSISDBHSA-N 2 0 313.445 2.370 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)C(C)C ZINC000669385694 540823384 /nfs/dbraw/zinc/82/33/84/540823384.db2.gz HHMHMORHGLWDIX-IAGOWNOFSA-N 2 0 322.497 2.126 20 30 DEEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000423040664 533539052 /nfs/dbraw/zinc/53/90/52/533539052.db2.gz HTQJDTYVHQUKGQ-WMLDXEAASA-N 2 0 314.433 2.161 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3[NH3+])C2)c(F)c1 ZINC000566090912 292204122 /nfs/dbraw/zinc/20/41/22/292204122.db2.gz IVUAPPSKFXEBTO-BPUTZDHNSA-N 2 0 302.397 2.136 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2CCOCC2)cc1C ZINC000104169698 402199685 /nfs/dbraw/zinc/19/96/85/402199685.db2.gz KFRRQCCJXYQSIK-UHFFFAOYSA-N 2 0 304.438 2.142 20 30 DEEDRP C=CC[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186687614 402455312 /nfs/dbraw/zinc/45/53/12/402455312.db2.gz BEHRQUXHXZLWQE-CADBVGFASA-N 2 0 300.446 2.424 20 30 DEEDRP C#CCNC(=[NH+]C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000261968753 402720559 /nfs/dbraw/zinc/72/05/59/402720559.db2.gz MDBJGAOUWMQIBF-RBUKOAKNSA-N 2 0 324.472 2.182 20 30 DEEDRP C=CCOc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1Cl ZINC000414786608 404735567 /nfs/dbraw/zinc/73/55/67/404735567.db2.gz XJFOCNKOWFPWBZ-UHFFFAOYSA-N 2 0 323.868 2.290 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](CC)CCC)CC1 ZINC000357751202 404742598 /nfs/dbraw/zinc/74/25/98/404742598.db2.gz UCWAKIOLFUODCH-INIZCTEOSA-N 2 0 324.513 2.447 20 30 DEEDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353430946 404829149 /nfs/dbraw/zinc/82/91/49/404829149.db2.gz XKJJGXPCSFLRPJ-IBGZPJMESA-N 2 0 312.461 2.161 20 30 DEEDRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424150211 405023747 /nfs/dbraw/zinc/02/37/47/405023747.db2.gz YKJUALFHNREFGE-HUUCEWRRSA-N 2 0 308.470 2.024 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000417069956 405025801 /nfs/dbraw/zinc/02/58/01/405025801.db2.gz UXZZSKRUWMNHPA-GVDBMIGSSA-N 2 0 322.497 2.125 20 30 DEEDRP C[NH2+]Cc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000415942223 404978923 /nfs/dbraw/zinc/97/89/23/404978923.db2.gz ISLDVUQCEIGIIY-UHFFFAOYSA-N 2 0 317.437 2.105 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424455259 405100509 /nfs/dbraw/zinc/10/05/09/405100509.db2.gz RKPYVRHVWLETHT-BRWVUGGUSA-N 2 0 322.497 2.254 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC1 ZINC000491338127 406571429 /nfs/dbraw/zinc/57/14/29/406571429.db2.gz GIJPVHAYYBESIT-UHFFFAOYSA-N 2 0 317.408 2.171 20 30 DEEDRP C=CCCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130680246 196100860 /nfs/dbraw/zinc/10/08/60/196100860.db2.gz FGGILKMBPJONJJ-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000264070827 225300791 /nfs/dbraw/zinc/30/07/91/225300791.db2.gz GBHMJMKFJPROSY-HNNXBMFYSA-N 2 0 318.465 2.112 20 30 DEEDRP CN(C(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000284187117 225587405 /nfs/dbraw/zinc/58/74/05/225587405.db2.gz YASNOGFDJSXAMW-UHFFFAOYSA-N 2 0 316.449 2.069 20 30 DEEDRP N#CCCOCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200904 226181728 /nfs/dbraw/zinc/18/17/28/226181728.db2.gz KSCPEYMBCJZCOX-RBUKOAKNSA-N 2 0 313.445 2.371 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001328260205 1148756786 /nfs/dbraw/zinc/75/67/86/1148756786.db2.gz RUKIPJARYYJYBU-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[N@@H+](C)CCC)CC1 ZINC000664015355 425289735 /nfs/dbraw/zinc/28/97/35/425289735.db2.gz GXNFFBQPIPCJLP-UHFFFAOYSA-N 2 0 324.513 2.447 20 30 DEEDRP C=CCOCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665263393 425532128 /nfs/dbraw/zinc/53/21/28/425532128.db2.gz LRKRRTUURTVPBO-AEFFLSMTSA-N 2 0 302.418 2.425 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000662661883 425705674 /nfs/dbraw/zinc/70/56/74/425705674.db2.gz WIYSMTAGEWAMRE-FUHWJXTLSA-N 2 0 301.434 2.104 20 30 DEEDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCC#N)CC1 ZINC000273026346 277113146 /nfs/dbraw/zinc/11/31/46/277113146.db2.gz FNBJUELWYUQXTA-UHFFFAOYSA-N 2 0 306.841 2.485 20 30 DEEDRP CSC1(CNC(=[NH2+])NC2CCCCCC2)CC[NH+](C)CC1 ZINC000262259224 295571262 /nfs/dbraw/zinc/57/12/62/295571262.db2.gz DKCZEGWEGUBFNV-UHFFFAOYSA-N 2 0 312.527 2.441 20 30 DEEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(CCC#N)CC2)CC1 ZINC000563068501 333278681 /nfs/dbraw/zinc/27/86/81/333278681.db2.gz NRVRGGYTUKQMFA-UHFFFAOYSA-N 2 0 306.498 2.418 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)C(C)C ZINC000134572035 341218642 /nfs/dbraw/zinc/21/86/42/341218642.db2.gz RWAPECRBTGOPHO-SJLPKXTDSA-N 2 0 307.482 2.333 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168423811 782118005 /nfs/dbraw/zinc/11/80/05/782118005.db2.gz AXSQVNCNSUBZBX-UHFFFAOYSA-N 2 0 309.841 2.210 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001378444503 1152331519 /nfs/dbraw/zinc/33/15/19/1152331519.db2.gz NADRFJMXKVTGLE-LSDHHAIUSA-N 2 0 315.889 2.488 20 30 DEEDRP C[C@H](CCC[NH3+])[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423062514 533868977 /nfs/dbraw/zinc/86/89/77/533868977.db2.gz UHXSBIIKVXILPY-IUDNXUCKSA-N 2 0 302.422 2.360 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CCCC2)cc1OC ZINC000267388664 533989612 /nfs/dbraw/zinc/98/96/12/533989612.db2.gz CHKPQGJHYCAYHA-UHFFFAOYSA-N 2 0 320.437 2.305 20 30 DEEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NCC(C)(C)c1cccs1 ZINC000262547584 526377340 /nfs/dbraw/zinc/37/73/40/526377340.db2.gz SKMOWWBTSNFKRN-CYBMUJFWSA-N 2 0 308.495 2.285 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000417536783 526594338 /nfs/dbraw/zinc/59/43/38/526594338.db2.gz LGOXVFQORBWVOM-QGZVFWFLSA-N 2 0 322.497 2.234 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000422838610 527651503 /nfs/dbraw/zinc/65/15/03/527651503.db2.gz XTICXQKQKKIBNF-BRSBDYLESA-N 2 0 309.498 2.027 20 30 DEEDRP CC1CCN(C(=[NH2+])NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000264076464 528211629 /nfs/dbraw/zinc/21/16/29/528211629.db2.gz HIWMGTUGJPWRFB-UHFFFAOYSA-N 2 0 318.465 2.174 20 30 DEEDRP CC[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCCC1 ZINC000263250522 528803235 /nfs/dbraw/zinc/80/32/35/528803235.db2.gz ONRCQUXYLLSIJW-UHFFFAOYSA-N 2 0 324.538 2.409 20 30 DEEDRP Cn1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1C#N ZINC000190907219 535915381 /nfs/dbraw/zinc/91/53/81/535915381.db2.gz CGSOIUCDAHYJQP-UHFFFAOYSA-N 2 0 312.417 2.127 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459485 625453152 /nfs/dbraw/zinc/45/31/52/625453152.db2.gz OKHPGJCAMPFEPY-CABCVRRESA-N 2 0 324.428 2.417 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704503 625482945 /nfs/dbraw/zinc/48/29/45/625482945.db2.gz QTNVHDJAKMKTJK-PKOBYXMFSA-N 2 0 315.461 2.182 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001026513772 625491649 /nfs/dbraw/zinc/49/16/49/625491649.db2.gz FUGZBBXOZVKKIV-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025523272 625499481 /nfs/dbraw/zinc/49/94/81/625499481.db2.gz LCIMEGUMFNENEU-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001026561046 625523476 /nfs/dbraw/zinc/52/34/76/625523476.db2.gz MBLIJQPQWKFUJM-WLYUNCDWSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020500026 622743339 /nfs/dbraw/zinc/74/33/39/622743339.db2.gz LPFZXSFOSHZWSO-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969708497 622890907 /nfs/dbraw/zinc/89/09/07/622890907.db2.gz ZVXDHLSGGSJCJA-BHYGNILZSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970316460 623395830 /nfs/dbraw/zinc/39/58/30/623395830.db2.gz DCLIUJFIXVFPJE-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007498365 625274489 /nfs/dbraw/zinc/27/44/89/625274489.db2.gz KGDFKOJMBNBKSF-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693968 634448795 /nfs/dbraw/zinc/44/87/95/634448795.db2.gz OCIXUIWVLZICFM-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP 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 625785267 /nfs/dbraw/zinc/78/52/67/625785267.db2.gz ORZYARZXYADDEM-QXDIGNSFSA-N 2 0 317.477 2.016 20 30 DEEDRP C=CC[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974679115 633231480 /nfs/dbraw/zinc/23/14/80/633231480.db2.gz GMGZTNQAZILJIH-HOTGVXAUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996387672 633252827 /nfs/dbraw/zinc/25/28/27/633252827.db2.gz YNQBXVIXVRRTAJ-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921527867 633615093 /nfs/dbraw/zinc/61/50/93/633615093.db2.gz CBDXBRRBHDCDLL-KRWDZBQOSA-N 2 0 314.477 2.291 20 30 DEEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997434349 633757070 /nfs/dbraw/zinc/75/70/70/633757070.db2.gz LXMQCGWEMXGVKG-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000997649759 633909268 /nfs/dbraw/zinc/90/92/68/633909268.db2.gz RDRXOMZBYNSLEV-AWEZNQCLSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519848 633973349 /nfs/dbraw/zinc/97/33/49/633973349.db2.gz XUPBHIQNONRRPO-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977456808 633994709 /nfs/dbraw/zinc/99/47/09/633994709.db2.gz VOJXJXZCRFWJQL-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602073 634255741 /nfs/dbraw/zinc/25/57/41/634255741.db2.gz KRCCBLYJKWBQCF-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603084 634266214 /nfs/dbraw/zinc/26/62/14/634266214.db2.gz DIBGYCSFJCDDBK-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cnc3C)C[C@H]2C1 ZINC000980235121 634904204 /nfs/dbraw/zinc/90/42/04/634904204.db2.gz ZOULYOCRFBQQCV-JYJNAYRXSA-N 2 0 316.449 2.053 20 30 DEEDRP CSc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1C#N ZINC000925774516 635046606 /nfs/dbraw/zinc/04/66/06/635046606.db2.gz WEFURRJCBOHEFK-BYCMXARLSA-N 2 0 305.447 2.122 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029799 635309891 /nfs/dbraw/zinc/30/98/91/635309891.db2.gz MDJCRPKQWYRKNX-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981168806 635339400 /nfs/dbraw/zinc/33/94/00/635339400.db2.gz WVORHUHAPKTFLX-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000981297247 635427060 /nfs/dbraw/zinc/42/70/60/635427060.db2.gz PCXQZHFZDKKFFR-CABCVRRESA-N 2 0 305.422 2.158 20 30 DEEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1sccc1C#N ZINC000931835061 635446520 /nfs/dbraw/zinc/44/65/20/635446520.db2.gz LDBCQVBYXZANAT-LBPRGKRZSA-N 2 0 323.466 2.013 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001392476 635475919 /nfs/dbraw/zinc/47/59/19/635475919.db2.gz KSAUKNSPSAJEQH-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001372267 635479969 /nfs/dbraw/zinc/47/99/69/635479969.db2.gz SFVHENNCHVLNOS-QZTJIDSGSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001370148 635480140 /nfs/dbraw/zinc/48/01/40/635480140.db2.gz HLRDZZXZFNDAOK-DLBZAZTESA-N 2 0 305.466 2.041 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438052 635483010 /nfs/dbraw/zinc/48/30/10/635483010.db2.gz JELNZJSOWYGHIK-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001925336 635579092 /nfs/dbraw/zinc/57/90/92/635579092.db2.gz PFUGGQDLDLUEDO-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000981800496 635655702 /nfs/dbraw/zinc/65/57/02/635655702.db2.gz GUMPSXRRNBWZOL-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981811967 635666472 /nfs/dbraw/zinc/66/64/72/635666472.db2.gz DAKPOSQRLZHTBH-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982013284 635811560 /nfs/dbraw/zinc/81/15/60/635811560.db2.gz PPMHSZOZQIQLFZ-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001003892819 636075611 /nfs/dbraw/zinc/07/56/11/636075611.db2.gz WKPLMPMRKBZPCU-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004460730 636460504 /nfs/dbraw/zinc/46/05/04/636460504.db2.gz WEOUVSAKOZEXMF-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004472310 636464103 /nfs/dbraw/zinc/46/41/03/636464103.db2.gz GGMQXBLNJLEUIO-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623959 636477426 /nfs/dbraw/zinc/47/74/26/636477426.db2.gz WHBBLGJDIIPSFM-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004539999 636485668 /nfs/dbraw/zinc/48/56/68/636485668.db2.gz AOOFCWYCGFSWDD-FUHWJXTLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001005388701 636729562 /nfs/dbraw/zinc/72/95/62/636729562.db2.gz AXDWKZOUZLDJAB-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005491243 636750516 /nfs/dbraw/zinc/75/05/16/636750516.db2.gz FOHYDGJNJBDJQI-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005772605 636836061 /nfs/dbraw/zinc/83/60/61/636836061.db2.gz KFQUQNPMBCFMIN-GOSISDBHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921101 636854317 /nfs/dbraw/zinc/85/43/17/636854317.db2.gz MFONFTATICZKBH-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP CC(C)CNC(=[NH2+])NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187056290 636907566 /nfs/dbraw/zinc/90/75/66/636907566.db2.gz QZUGYKFTZKCSHW-KRWDZBQOSA-N 2 0 302.466 2.457 20 30 DEEDRP CN(C)C(=[NH+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000187056215 636907587 /nfs/dbraw/zinc/90/75/87/636907587.db2.gz KGZVKNWOSOPIAH-QGZVFWFLSA-N 2 0 302.466 2.376 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871156 636920950 /nfs/dbraw/zinc/92/09/50/636920950.db2.gz LIZUTZINIOCHMN-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC000985696332 639589670 /nfs/dbraw/zinc/58/96/70/639589670.db2.gz JBLGGLPOEBUVJW-CQSZACIVSA-N 2 0 304.438 2.087 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000985801224 639642641 /nfs/dbraw/zinc/64/26/41/639642641.db2.gz BDDFVNJWCBVYBP-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989606741 641168085 /nfs/dbraw/zinc/16/80/85/641168085.db2.gz UKCXEDHPRMFTHE-CABCVRRESA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990694024 641607291 /nfs/dbraw/zinc/60/72/91/641607291.db2.gz ZOWYOPIPQNHAFZ-ZHALLVOQSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000900335714 642324775 /nfs/dbraw/zinc/32/47/75/642324775.db2.gz KCLQNHQXUSSJFG-GASCZTMLSA-N 2 0 309.498 2.367 20 30 DEEDRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902796949 643148499 /nfs/dbraw/zinc/14/84/99/643148499.db2.gz XAZQXVDFZLDWFQ-YJBOKZPZSA-N 2 0 300.450 2.235 20 30 DEEDRP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902813990 643155558 /nfs/dbraw/zinc/15/55/58/643155558.db2.gz KYEBYLVTKZZMIY-SJORKVTESA-N 2 0 310.482 2.327 20 30 DEEDRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000905534979 643935363 /nfs/dbraw/zinc/93/53/63/643935363.db2.gz XATWURJGWRVFPZ-CGZBRXJRSA-N 2 0 305.466 2.428 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000908182506 644774753 /nfs/dbraw/zinc/77/47/53/644774753.db2.gz KMDQXXCWGFYJMM-UHFFFAOYSA-N 2 0 307.438 2.068 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501317 646549743 /nfs/dbraw/zinc/54/97/43/646549743.db2.gz YEFAWMLKZWTLBF-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991858802 646671588 /nfs/dbraw/zinc/67/15/88/646671588.db2.gz HLCXMXOVENSFOW-SJLPKXTDSA-N 2 0 310.401 2.247 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000991992958 646822900 /nfs/dbraw/zinc/82/29/00/646822900.db2.gz HCIUNWVMHPVABZ-ZHALLVOQSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136594 646867723 /nfs/dbraw/zinc/86/77/23/646867723.db2.gz KNWUSUUZGMDAEX-OVWQWFNUSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535337 647691926 /nfs/dbraw/zinc/69/19/26/647691926.db2.gz JDAVXNCCZUPCPD-YOEHRIQHSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994057660 647782927 /nfs/dbraw/zinc/78/29/27/647782927.db2.gz RFMSKCPTQNKJNQ-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865438 648958053 /nfs/dbraw/zinc/95/80/53/648958053.db2.gz ZBFKYVLKRQYNTL-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP CCNC(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)=[NH+]CC ZINC000849093019 651600524 /nfs/dbraw/zinc/60/05/24/651600524.db2.gz FOPXMMUVXQXHGM-UHFFFAOYSA-N 2 0 320.403 2.367 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](CC[NH3+])C1)C(C)C ZINC001356570257 1152090550 /nfs/dbraw/zinc/09/05/50/1152090550.db2.gz RLRLLLNMBHZEIF-IRXDYDNUSA-N 2 0 322.497 2.065 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000304763020 685261095 /nfs/dbraw/zinc/26/10/95/685261095.db2.gz WJCRIYLDXZKZRX-BZUAXINKSA-N 2 0 324.513 2.216 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1C ZINC000304813455 685262235 /nfs/dbraw/zinc/26/22/35/685262235.db2.gz YZGUCZHSEAIORY-HZPDHXFCSA-N 2 0 318.465 2.151 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054145864 693861884 /nfs/dbraw/zinc/86/18/84/693861884.db2.gz YZSFRZIVUYHLAM-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054177652 693871932 /nfs/dbraw/zinc/87/19/32/693871932.db2.gz PLSVTOPQHQNHPF-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054234078 693894048 /nfs/dbraw/zinc/89/40/48/693894048.db2.gz WUNXBAAWLXOGFY-SFHVURJKSA-N 2 0 316.449 2.151 20 30 DEEDRP N#CC1(C[C@@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000863551977 686520615 /nfs/dbraw/zinc/52/06/15/686520615.db2.gz NZPQKJYIMWAKIL-OFLPRAFFSA-N 2 0 305.466 2.428 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001054826559 694054976 /nfs/dbraw/zinc/05/49/76/694054976.db2.gz MPPFFESWVYUMRU-HOCLYGCPSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001054905466 694069143 /nfs/dbraw/zinc/06/91/43/694069143.db2.gz FTTKURJVJBLFLB-IAQYHMDHSA-N 2 0 318.808 2.137 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001018966538 688262945 /nfs/dbraw/zinc/26/29/45/688262945.db2.gz LVWLIZUAMONQPK-RDJZCZTQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020340685 688505985 /nfs/dbraw/zinc/50/59/85/688505985.db2.gz VRXNNJLBZZRGKB-RBSFLKMASA-N 2 0 313.873 2.096 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845557 688544818 /nfs/dbraw/zinc/54/48/18/688544818.db2.gz MLWJBYZXWGQRSP-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1=O ZINC000872157756 688941515 /nfs/dbraw/zinc/94/15/15/688941515.db2.gz QUMDZWRPPYEUBC-JQHSSLGASA-N 2 0 319.493 2.393 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033076742 689378829 /nfs/dbraw/zinc/37/88/29/689378829.db2.gz OBMGFSSYRJZMCV-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033125431 689398121 /nfs/dbraw/zinc/39/81/21/689398121.db2.gz DSBPMUADQVQTRN-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033145891 689403985 /nfs/dbraw/zinc/40/39/85/689403985.db2.gz LNGBDFHFEILXEN-IRXDYDNUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033548404 689537672 /nfs/dbraw/zinc/53/76/72/689537672.db2.gz QLVZBIIBSCTMER-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825585 689628251 /nfs/dbraw/zinc/62/82/51/689628251.db2.gz FPPNHQBFHDUGDJ-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437050 689851286 /nfs/dbraw/zinc/85/12/86/689851286.db2.gz CZQCMXRSUMIMEP-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001034660515 689920978 /nfs/dbraw/zinc/92/09/78/689920978.db2.gz BYHBJJUWNSXKAY-ULQDDVLXSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876737507 689921939 /nfs/dbraw/zinc/92/19/39/689921939.db2.gz RWKNWMPZWBJGAM-YPMHNXCESA-N 2 0 301.862 2.083 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000876765014 689930408 /nfs/dbraw/zinc/93/04/08/689930408.db2.gz YHVAAXMSWMOHTR-KBPBESRZSA-N 2 0 315.889 2.473 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001034775409 689945493 /nfs/dbraw/zinc/94/54/93/689945493.db2.gz OEEFCYCMWXUUAJ-BZSNNMDCSA-N 2 0 319.493 2.291 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877158918 690033787 /nfs/dbraw/zinc/03/37/87/690033787.db2.gz ORDCUGWYNJRQJK-AWEZNQCLSA-N 2 0 310.829 2.053 20 30 DEEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035198549 690057385 /nfs/dbraw/zinc/05/73/85/690057385.db2.gz MFFRZYTZYIOQCK-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036184562 690284600 /nfs/dbraw/zinc/28/46/00/690284600.db2.gz YSRUXKMKKKUWHX-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859458 690501486 /nfs/dbraw/zinc/50/14/86/690501486.db2.gz QBDKWHJPKYZSSJ-ZWKOTPCHSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904370 690522497 /nfs/dbraw/zinc/52/24/97/690522497.db2.gz QXBBLXQHBNTIFL-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001037870753 690628549 /nfs/dbraw/zinc/62/85/49/690628549.db2.gz XBAUTZMZXRWLMK-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001037885053 690632615 /nfs/dbraw/zinc/63/26/15/690632615.db2.gz NIWSLOOLFNHBNL-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC ZINC001037890390 690633881 /nfs/dbraw/zinc/63/38/81/690633881.db2.gz REXDDEOQMVAQAQ-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038343264 690788533 /nfs/dbraw/zinc/78/85/33/690788533.db2.gz YOIYEDDKBLVAGI-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038779841 690924514 /nfs/dbraw/zinc/92/45/14/690924514.db2.gz KQJWRAIXBLWIOC-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173210 691038950 /nfs/dbraw/zinc/03/89/50/691038950.db2.gz QFAFLNGYAJLQOL-ROUUACIJSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173211 691039104 /nfs/dbraw/zinc/03/91/04/691039104.db2.gz QFAFLNGYAJLQOL-ZWKOTPCHSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224707 691060022 /nfs/dbraw/zinc/06/00/22/691060022.db2.gz IPSZMDOUKPUTCH-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224223 691060358 /nfs/dbraw/zinc/06/03/58/691060358.db2.gz DPODJPWFCBHANA-DLBZAZTESA-N 2 0 316.449 2.162 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039288563 691075278 /nfs/dbraw/zinc/07/52/78/691075278.db2.gz PRONFIUCUBYWKD-ALOPSCKCSA-N 2 0 317.477 2.303 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474365 691115208 /nfs/dbraw/zinc/11/52/08/691115208.db2.gz DEYJNDVAZVJHLZ-SQNIBIBYSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040201688 691212867 /nfs/dbraw/zinc/21/28/67/691212867.db2.gz NGLFISZTVDZIBQ-IEBWSBKVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040209250 691213654 /nfs/dbraw/zinc/21/36/54/691213654.db2.gz HQZVKESTRSTAGI-LMMKCTJWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040264031 691222650 /nfs/dbraw/zinc/22/26/50/691222650.db2.gz KVVLBMXRUCTLJT-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041356859 691367455 /nfs/dbraw/zinc/36/74/55/691367455.db2.gz CJWCFOMVKMEZBU-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC000883220959 691460104 /nfs/dbraw/zinc/46/01/04/691460104.db2.gz RSAVYCIMIVXXSH-IAGOWNOFSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063534 691495970 /nfs/dbraw/zinc/49/59/70/691495970.db2.gz YNYFLAYSTTUAMC-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCCC)CC2)CC1 ZINC001045646369 692009653 /nfs/dbraw/zinc/00/96/53/692009653.db2.gz HVSURDDNEBYRKO-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045949047 692060610 /nfs/dbraw/zinc/06/06/10/692060610.db2.gz XRFMPTZWGCPTHO-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ccnc1C)C2 ZINC001045984445 692068946 /nfs/dbraw/zinc/06/89/46/692068946.db2.gz APGJLUCIOAAHGP-GOSISDBHSA-N 2 0 316.449 2.082 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569159 692227126 /nfs/dbraw/zinc/22/71/26/692227126.db2.gz HDWOKIOEHFYGPD-XYJFISCASA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047244903 692401718 /nfs/dbraw/zinc/40/17/18/692401718.db2.gz VOBVDADWIYGUFH-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527817 692640395 /nfs/dbraw/zinc/64/03/95/692640395.db2.gz WEWSXIBDLLZJSF-XMTFNYHQSA-N 2 0 319.493 2.404 20 30 DEEDRP 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 692646457 /nfs/dbraw/zinc/64/64/57/692646457.db2.gz GCTHEDFQXZWQOM-TXTZMMAHSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049480513 692895677 /nfs/dbraw/zinc/89/56/77/692895677.db2.gz FOZLJWSDBTXADM-MHORFTMASA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049486542 692897706 /nfs/dbraw/zinc/89/77/06/692897706.db2.gz REGMSCFHYKQKQV-BRSBDYLESA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049525444 692912016 /nfs/dbraw/zinc/91/20/16/692912016.db2.gz QOMJHTMNRNHCIP-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049549765 692918435 /nfs/dbraw/zinc/91/84/35/692918435.db2.gz ISXYBHLZRXFOFG-IKGGRYGDSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566934 692923816 /nfs/dbraw/zinc/92/38/16/692923816.db2.gz HFBNGPJGLFLYLH-SJORKVTESA-N 2 0 317.477 2.256 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049592761 692934876 /nfs/dbraw/zinc/93/48/76/692934876.db2.gz JRUMNLUIYBBCOG-DLBZAZTESA-N 2 0 310.401 2.199 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049805367 693006229 /nfs/dbraw/zinc/00/62/29/693006229.db2.gz JNUSHDWLULJUBH-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001050208159 693138696 /nfs/dbraw/zinc/13/86/96/693138696.db2.gz DNKDSXMULOPYLX-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766614 693247132 /nfs/dbraw/zinc/24/71/32/693247132.db2.gz TZRGTEZBARUXSV-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378174 693519188 /nfs/dbraw/zinc/51/91/88/693519188.db2.gz SQYQBBMPUGKPMP-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591627 693574206 /nfs/dbraw/zinc/57/42/06/693574206.db2.gz PUBYGDNAEXUPMJ-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000932464406 694620836 /nfs/dbraw/zinc/62/08/36/694620836.db2.gz ZAISKLFWSSNCLT-KRWDZBQOSA-N 2 0 315.461 2.139 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001382139510 1153375391 /nfs/dbraw/zinc/37/53/91/1153375391.db2.gz FRRPOGZDOMDAQL-AWEZNQCLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001373024414 1156836929 /nfs/dbraw/zinc/83/69/29/1156836929.db2.gz BDYULFCYXRJVES-CQSZACIVSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001393035832 1157623169 /nfs/dbraw/zinc/62/31/69/1157623169.db2.gz KSIZTJHIXSHWEQ-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001393983707 1158133977 /nfs/dbraw/zinc/13/39/77/1158133977.db2.gz DQGBDHPBFXNKGT-UONOGXRCSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001394205931 1158367719 /nfs/dbraw/zinc/36/77/19/1158367719.db2.gz PSHIEWDBKGMHIN-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001375757974 1158862955 /nfs/dbraw/zinc/86/29/55/1158862955.db2.gz AGKPMEALBGTPHC-HUUCEWRRSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001398449347 1160894132 /nfs/dbraw/zinc/89/41/32/1160894132.db2.gz AMXFHMGJKUIPCY-HUUCEWRRSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001403772724 1163164481 /nfs/dbraw/zinc/16/44/81/1163164481.db2.gz QEFXLUJRXCHUNV-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001399389228 1161374756 /nfs/dbraw/zinc/37/47/56/1161374756.db2.gz MNDXXEMVUJQPHQ-HUUCEWRRSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001401239677 1161901673 /nfs/dbraw/zinc/90/16/73/1161901673.db2.gz NNNTXSMHWZNMBK-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001401293785 1161917574 /nfs/dbraw/zinc/91/75/74/1161917574.db2.gz ZQGNQXYQVLYFGY-HNNXBMFYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001401340132 1161938309 /nfs/dbraw/zinc/93/83/09/1161938309.db2.gz TYUGMEHIRYOUTI-KKUMJFAQSA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC001574849580 1166678219 /nfs/dbraw/zinc/67/82/19/1166678219.db2.gz QEOASPKTSPJUQS-AWEZNQCLSA-N 2 0 301.862 2.179 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001419503786 1168545054 /nfs/dbraw/zinc/54/50/54/1168545054.db2.gz ALLHDBLHQPIPCF-GASCZTMLSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001420811676 1171191524 /nfs/dbraw/zinc/19/15/24/1171191524.db2.gz ZOIUUZWNUHJHHL-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001421421563 1171788862 /nfs/dbraw/zinc/78/88/62/1171788862.db2.gz QLCNMOYLBYHWLP-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001421886283 1172089308 /nfs/dbraw/zinc/08/93/08/1172089308.db2.gz GNGIUPBKACQMEA-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001441350573 1181952934 /nfs/dbraw/zinc/95/29/34/1181952934.db2.gz HNBLIOSEFHJZBE-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001441663476 1182120292 /nfs/dbraw/zinc/12/02/92/1182120292.db2.gz XMYOMJIZFXRRQF-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001442335364 1182424676 /nfs/dbraw/zinc/42/46/76/1182424676.db2.gz GNUIYKUCSMOLST-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001444373611 1183362521 /nfs/dbraw/zinc/36/25/21/1183362521.db2.gz ICYPXRCEUVCDBB-ZFWWWQNUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099239786 782810973 /nfs/dbraw/zinc/81/09/73/782810973.db2.gz JXMNEJHLYGQNNL-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660089 782837574 /nfs/dbraw/zinc/83/75/74/782837574.db2.gz AISPFSVOHWOHKR-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947471407 783146718 /nfs/dbraw/zinc/14/67/18/783146718.db2.gz BTTDIYCMBBJVQT-HOCLYGCPSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552995 783170371 /nfs/dbraw/zinc/17/03/71/783170371.db2.gz YSTAZHOARAUJEO-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001073033731 790407101 /nfs/dbraw/zinc/40/71/01/790407101.db2.gz SULUYXCMXYFZKK-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125970 790472114 /nfs/dbraw/zinc/47/21/14/790472114.db2.gz QTLUXXRHDUNMEK-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435040 778003397 /nfs/dbraw/zinc/00/33/97/778003397.db2.gz DWDVFTHQNRXUFZ-SFHVURJKSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559799 778501377 /nfs/dbraw/zinc/50/13/77/778501377.db2.gz KAOXRVNJQRWCBY-OAHLLOKOSA-N 2 0 313.461 2.261 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593750 779370522 /nfs/dbraw/zinc/37/05/22/779370522.db2.gz UVAKMBHTJZHXAI-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636518 779388932 /nfs/dbraw/zinc/38/89/32/779388932.db2.gz VMNUOLMMXDKLPW-KSZLIROESA-N 2 0 319.493 2.099 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1CC ZINC001087792274 779453644 /nfs/dbraw/zinc/45/36/44/779453644.db2.gz WJSDYBVGGGRQIG-RCCFBDPRSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000985469453 779851596 /nfs/dbraw/zinc/85/15/96/779851596.db2.gz DZXRLLCOILXRCD-OAHLLOKOSA-N 2 0 313.873 2.002 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000985469444 779852139 /nfs/dbraw/zinc/85/21/39/779852139.db2.gz DZXRLLCOILXRCD-HNNXBMFYSA-N 2 0 313.873 2.002 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001088404852 780078187 /nfs/dbraw/zinc/07/81/87/780078187.db2.gz IFXGWBADKZIWCP-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001088430648 780116332 /nfs/dbraw/zinc/11/63/32/780116332.db2.gz VBSFFPFTVAVHDD-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1C ZINC001088656964 780695544 /nfs/dbraw/zinc/69/55/44/780695544.db2.gz MKNMAEFRTSGIBP-CABCVRRESA-N 2 0 304.438 2.082 20 30 DEEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616797 783280141 /nfs/dbraw/zinc/28/01/41/783280141.db2.gz NYUFCRYWSYPFBB-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616523 783281935 /nfs/dbraw/zinc/28/19/35/783281935.db2.gz JHZSJWDVAVTKHV-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948369230 783441801 /nfs/dbraw/zinc/44/18/01/783441801.db2.gz XRHNPQRMSBPJMQ-MSOLQXFVSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966102523 783562990 /nfs/dbraw/zinc/56/29/90/783562990.db2.gz JBJFREMEILSXFN-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085217645 783588529 /nfs/dbraw/zinc/58/85/29/783588529.db2.gz KQGHJBLGXRHUDG-ZACQAIPSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374417 783968803 /nfs/dbraw/zinc/96/88/03/783968803.db2.gz BPMPOCJYWKMMKO-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085918420 784212362 /nfs/dbraw/zinc/21/23/62/784212362.db2.gz CMINIVPTMDUKAN-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330508 784293323 /nfs/dbraw/zinc/29/33/23/784293323.db2.gz AAYWSXCKCKOBDZ-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461042 784400000 /nfs/dbraw/zinc/40/00/00/784400000.db2.gz ZIQCFONVNWJTER-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968849696 784616705 /nfs/dbraw/zinc/61/67/05/784616705.db2.gz DDGBFYWHFWMCBE-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086387194 784640371 /nfs/dbraw/zinc/64/03/71/784640371.db2.gz VBYMGKVYFTTXSV-BFYDXBDKSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001203330327 784770069 /nfs/dbraw/zinc/77/00/69/784770069.db2.gz GMGANSMEAQCYPL-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001007457372 784925804 /nfs/dbraw/zinc/92/58/04/784925804.db2.gz MGHPJWQBSCKWPM-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115303690 785374353 /nfs/dbraw/zinc/37/43/53/785374353.db2.gz IGPDKIQQIRAWST-VQFNDLOPSA-N 2 0 307.482 2.119 20 30 DEEDRP 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 785974367 /nfs/dbraw/zinc/97/43/67/785974367.db2.gz MKOSLTROAPCIJC-NCOADZHNSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001109857903 786087390 /nfs/dbraw/zinc/08/73/90/786087390.db2.gz JCQRVFMNRMGLEF-IKGGRYGDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109865428 786089492 /nfs/dbraw/zinc/08/94/92/786089492.db2.gz PEUWXLJDIJICPB-NCOADZHNSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966297 786333244 /nfs/dbraw/zinc/33/32/44/786333244.db2.gz WKVOAHNCZLBLQH-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001113008494 786358029 /nfs/dbraw/zinc/35/80/29/786358029.db2.gz RUZLVYOIOIKPGH-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115014111 786405255 /nfs/dbraw/zinc/40/52/55/786405255.db2.gz ZLZGMOJUZAWKEJ-VXNCWWDNSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001113403037 786570044 /nfs/dbraw/zinc/57/00/44/786570044.db2.gz PTDHMYHDOMUCTL-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207819 787966428 /nfs/dbraw/zinc/96/64/28/787966428.db2.gz XJTRXHFJYLETTO-DLBZAZTESA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219128 788025657 /nfs/dbraw/zinc/02/56/57/788025657.db2.gz UOWLYXSFCFKZEV-BDXSIMOUSA-N 2 0 317.477 2.301 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493993 788104783 /nfs/dbraw/zinc/10/47/83/788104783.db2.gz OYCUOGZDJDAMAD-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953221 788240943 /nfs/dbraw/zinc/24/09/43/788240943.db2.gz CRYBAXPEWMWAMP-GOEBONIOSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001133084478 788276534 /nfs/dbraw/zinc/27/65/34/788276534.db2.gz STSBWDZDSWYNEX-AEFFLSMTSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086700654 788283978 /nfs/dbraw/zinc/28/39/78/788283978.db2.gz DWKPIGNKCMPMAT-VVLHAWIVSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133225069 788322135 /nfs/dbraw/zinc/32/21/35/788322135.db2.gz GCUBHZZXWYBKMQ-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994473 789157038 /nfs/dbraw/zinc/15/70/38/789157038.db2.gz RGHHNFOXALLVLK-ZIAGYGMSSA-N 2 0 300.406 2.397 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181602 789234265 /nfs/dbraw/zinc/23/42/65/789234265.db2.gz RSBILKUGUQAPAA-KGLIPLIRSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135467473 789355800 /nfs/dbraw/zinc/35/58/00/789355800.db2.gz GKKPIKUXURTJGQ-KGLIPLIRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170816948 789360834 /nfs/dbraw/zinc/36/08/34/789360834.db2.gz IVCFONAYEIFODZ-NVXWUHKLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001147851951 791630014 /nfs/dbraw/zinc/63/00/14/791630014.db2.gz OMTHTTRRDASUOU-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477589 791752973 /nfs/dbraw/zinc/75/29/73/791752973.db2.gz YULNXONQERIEJO-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091909945 791898476 /nfs/dbraw/zinc/89/84/76/791898476.db2.gz FRSVQOXZGDLNSK-APWZRJJASA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463336 792003020 /nfs/dbraw/zinc/00/30/20/792003020.db2.gz KKNZUGYUZJGODM-BDXSIMOUSA-N 2 0 319.493 2.404 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959621 792004119 /nfs/dbraw/zinc/00/41/19/792004119.db2.gz JPGWUYLEULLWJS-LNLFQRSKSA-N 2 0 317.477 2.018 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536242 792709967 /nfs/dbraw/zinc/70/99/67/792709967.db2.gz QOZGFCNQMQILDD-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101026554 792970945 /nfs/dbraw/zinc/97/09/45/792970945.db2.gz NNRHSNQMTWZKMD-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337742 793274210 /nfs/dbraw/zinc/27/42/10/793274210.db2.gz SBSXVWYVJRZFAN-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300530 793393209 /nfs/dbraw/zinc/39/32/09/793393209.db2.gz XOFYTEFHGAPMEW-OAHLLOKOSA-N 2 0 301.434 2.319 20 30 DEEDRP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300518 793393757 /nfs/dbraw/zinc/39/37/57/793393757.db2.gz XOFYTEFHGAPMEW-HNNXBMFYSA-N 2 0 301.434 2.319 20 30 DEEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1C#N ZINC001172967244 793545221 /nfs/dbraw/zinc/54/52/21/793545221.db2.gz VASLEKDHUDSCLS-YJNKXOJESA-N 2 0 322.453 2.138 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524995 793640296 /nfs/dbraw/zinc/64/02/96/793640296.db2.gz HFJIEVGSFBJDJN-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426745 794088299 /nfs/dbraw/zinc/08/82/99/794088299.db2.gz LDRPYXWOZUNGBV-KURKYZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647074 794176189 /nfs/dbraw/zinc/17/61/89/794176189.db2.gz SYVVCPAQVSRRQT-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP 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 794427062 /nfs/dbraw/zinc/42/70/62/794427062.db2.gz JTCIXVKFXVKGGT-BRSBDYLESA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111861134 794504097 /nfs/dbraw/zinc/50/40/97/794504097.db2.gz WGVMMRZBOLNCIB-HKUYNNGSSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176884569 794522057 /nfs/dbraw/zinc/52/20/57/794522057.db2.gz NNXYZFPOBHEFEQ-UHFFFAOYSA-N 2 0 309.841 2.210 20 30 DEEDRP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111950886 794532705 /nfs/dbraw/zinc/53/27/05/794532705.db2.gz GVNKDQHFKAJHJQ-HOCLYGCPSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111952321 794533129 /nfs/dbraw/zinc/53/31/29/794533129.db2.gz CBSVJGKSMBOOEX-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177267574 794629315 /nfs/dbraw/zinc/62/93/15/794629315.db2.gz SOHJHFIXZRQQEQ-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177456097 794669341 /nfs/dbraw/zinc/66/93/41/794669341.db2.gz PGWSSYZHBBWLAM-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535451 794812455 /nfs/dbraw/zinc/81/24/55/794812455.db2.gz WPDFGHGBFLJQSG-KRWDZBQOSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540359 794814417 /nfs/dbraw/zinc/81/44/17/794814417.db2.gz HAHOOTUKKTXONT-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179586436 795137797 /nfs/dbraw/zinc/13/77/97/795137797.db2.gz OQAWXXYEYJQFRU-IRXDYDNUSA-N 2 0 309.498 2.417 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCCC)CC1 ZINC001180361110 795284714 /nfs/dbraw/zinc/28/47/14/795284714.db2.gz SZBUKYNVGKIWIZ-UHFFFAOYSA-N 2 0 321.509 2.398 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120450043 795463564 /nfs/dbraw/zinc/46/35/64/795463564.db2.gz RSZDQAXPTZRWED-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120458660 795464470 /nfs/dbraw/zinc/46/44/70/795464470.db2.gz IEDCFQHHCLUECR-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181671484 795518067 /nfs/dbraw/zinc/51/80/67/795518067.db2.gz OLZYLQAOHMJXLH-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121237793 795606834 /nfs/dbraw/zinc/60/68/34/795606834.db2.gz GNHHZLMMATUUCV-UHFFFAOYSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182591586 795712929 /nfs/dbraw/zinc/71/29/29/795712929.db2.gz XXWHOHGXKKGHOD-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001183176829 795816102 /nfs/dbraw/zinc/81/61/02/795816102.db2.gz VJPKHNNADLSNKG-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001183228317 795828623 /nfs/dbraw/zinc/82/86/23/795828623.db2.gz GSRLVGNKDUQVPW-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001184934347 796147274 /nfs/dbraw/zinc/14/72/74/796147274.db2.gz PTJNFGPJPVBHPU-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001185032256 796174597 /nfs/dbraw/zinc/17/45/97/796174597.db2.gz WALJAHJFKHENJV-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001185071660 796183680 /nfs/dbraw/zinc/18/36/80/796183680.db2.gz ABQRQXGHTKMBDH-SJLPKXTDSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168700 796200844 /nfs/dbraw/zinc/20/08/44/796200844.db2.gz IUYQPJYXAZSJHG-SJORKVTESA-N 2 0 321.509 2.062 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC001185361469 796238589 /nfs/dbraw/zinc/23/85/89/796238589.db2.gz YYAZKHDUAWQDIG-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185445150 796258283 /nfs/dbraw/zinc/25/82/83/796258283.db2.gz FCDRTALXIGBFRQ-ZFWWWQNUSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185503924 796273429 /nfs/dbraw/zinc/27/34/29/796273429.db2.gz UCJATLWYUSNDST-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185518053 796276179 /nfs/dbraw/zinc/27/61/79/796276179.db2.gz VXPLHEYJAGKYAX-HUUCEWRRSA-N 2 0 316.449 2.021 20 30 DEEDRP CC[N@@H+]1CCO[C@@H]2CN(Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140114693 796479025 /nfs/dbraw/zinc/47/90/25/796479025.db2.gz ZYORECKWZMRYBG-QFBILLFUSA-N 2 0 324.428 2.192 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986780 797293800 /nfs/dbraw/zinc/29/38/00/797293800.db2.gz BJTBRFRANXMECT-MRXNPFEDSA-N 2 0 319.449 2.454 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378054 797376681 /nfs/dbraw/zinc/37/66/81/797376681.db2.gz RHPWOZOLBKGKIK-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001154083281 797458172 /nfs/dbraw/zinc/45/81/72/797458172.db2.gz PBFUCRCSXPRGCN-CVEARBPZSA-N 2 0 318.465 2.238 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099666 797463278 /nfs/dbraw/zinc/46/32/78/797463278.db2.gz NNVAUVDURDJJRC-MRXNPFEDSA-N 2 0 321.509 2.489 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480444 798413554 /nfs/dbraw/zinc/41/35/54/798413554.db2.gz MHAAAZXLLGFEAW-QGZVFWFLSA-N 2 0 321.509 2.301 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866622 798481831 /nfs/dbraw/zinc/48/18/31/798481831.db2.gz TYNJTWKNHAMAME-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160500120 798696765 /nfs/dbraw/zinc/69/67/65/798696765.db2.gz LKOLKTFPELFMFS-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001201378989 798748703 /nfs/dbraw/zinc/74/87/03/798748703.db2.gz TYHOQACPZAQNSM-UHFFFAOYSA-N 2 0 316.449 2.065 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161207246 798809245 /nfs/dbraw/zinc/80/92/45/798809245.db2.gz RFUGWFVLZFFFPF-QGZVFWFLSA-N 2 0 319.493 2.433 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413520 799094855 /nfs/dbraw/zinc/09/48/55/799094855.db2.gz BCLIHYQUKDIGFD-DZFIZOCASA-N 2 0 321.509 2.488 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001202526646 799105201 /nfs/dbraw/zinc/10/52/01/799105201.db2.gz NCHZEGYNWCNNAJ-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001202772501 799487521 /nfs/dbraw/zinc/48/75/21/799487521.db2.gz RKTYGCFXTTWYRO-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164508889 799612754 /nfs/dbraw/zinc/61/27/54/799612754.db2.gz NXMFDVITSMCPFQ-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531184 799617771 /nfs/dbraw/zinc/61/77/71/799617771.db2.gz AQRBSZKSNQBYDQ-SJORKVTESA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165331812 799706403 /nfs/dbraw/zinc/70/64/03/799706403.db2.gz DFXBTNLAPYPMRH-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165711973 799765171 /nfs/dbraw/zinc/76/51/71/799765171.db2.gz ZEKCXYSVLIQMQN-UHFFFAOYSA-N 2 0 319.493 2.315 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165735468 799766852 /nfs/dbraw/zinc/76/68/52/799766852.db2.gz AHHDGZDVMANXDR-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979047 799807023 /nfs/dbraw/zinc/80/70/23/799807023.db2.gz OREICERMTKIVHY-DDBAPUKQSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166870073 799968590 /nfs/dbraw/zinc/96/85/90/799968590.db2.gz SFICBZNBUBEDLA-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205284185 800337220 /nfs/dbraw/zinc/33/72/20/800337220.db2.gz KAWWESATAZHOFN-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481254 800540777 /nfs/dbraw/zinc/54/07/77/800540777.db2.gz FCKCOBFPZHDHFD-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481505 800540862 /nfs/dbraw/zinc/54/08/62/800540862.db2.gz IRDCWNQPWFGWAL-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206482345 800541139 /nfs/dbraw/zinc/54/11/39/800541139.db2.gz SUWFZQMBRZKMMM-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952218 800640165 /nfs/dbraw/zinc/64/01/65/800640165.db2.gz DSQNWKYSSICFRR-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207393533 800742436 /nfs/dbraw/zinc/74/24/36/800742436.db2.gz BRQMQTIFBHDDBO-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435035 800751245 /nfs/dbraw/zinc/75/12/45/800751245.db2.gz DRWNPNFITZXXAR-ROUUACIJSA-N 2 0 308.466 2.060 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014127 800892505 /nfs/dbraw/zinc/89/25/05/800892505.db2.gz MNHRWSXDEURJPM-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCCC[N@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001209202732 801150237 /nfs/dbraw/zinc/15/02/37/801150237.db2.gz PEZTUUSFAHXSCF-UHFFFAOYSA-N 2 0 317.481 2.478 20 30 DEEDRP C#CCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209267938 801163500 /nfs/dbraw/zinc/16/35/00/801163500.db2.gz YOHAKRLSHKVYFK-RTBURBONSA-N 2 0 313.445 2.018 20 30 DEEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230575828 801425246 /nfs/dbraw/zinc/42/52/46/801425246.db2.gz QVYYCJOBSRTXDM-KRWDZBQOSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685132 801446086 /nfs/dbraw/zinc/44/60/86/801446086.db2.gz OGBFITMAZKPJBH-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210690728 801447496 /nfs/dbraw/zinc/44/74/96/801447496.db2.gz OXKLNLZAFNSUKH-HNNXBMFYSA-N 2 0 316.449 2.308 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCCC)C2)CC1 ZINC001211233395 801535157 /nfs/dbraw/zinc/53/51/57/801535157.db2.gz DGPGSYSBLDXFLP-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335602 801704248 /nfs/dbraw/zinc/70/42/48/801704248.db2.gz CVWVVAXZVPDPOK-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C#Cc1cccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1 ZINC001231660534 801706885 /nfs/dbraw/zinc/70/68/85/801706885.db2.gz HPBJWICTZHAPHW-UHFFFAOYSA-N 2 0 311.473 2.127 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc([C@H]([NH3+])CC(=O)OC)c1 ZINC001218456448 802185891 /nfs/dbraw/zinc/18/58/91/802185891.db2.gz POCYFNNSMDWCMY-BRWVUGGUSA-N 2 0 318.417 2.325 20 30 DEEDRP N#Cc1c2c(sc1NC(=O)C[C@H]1CC[C@H]([NH3+])CC1)C[NH2+]CC2 ZINC001218553266 802204038 /nfs/dbraw/zinc/20/40/38/802204038.db2.gz ONBFGWDCLRDOPH-XYPYZODXSA-N 2 0 318.446 2.112 20 30 DEEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001218994847 802272336 /nfs/dbraw/zinc/27/23/36/802272336.db2.gz MNTKPRQOBIXJQF-LBPRGKRZSA-N 2 0 312.776 2.006 20 30 DEEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001220047922 802404919 /nfs/dbraw/zinc/40/49/19/802404919.db2.gz DMXHXLBBAOQBSY-YOEHRIQHSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221544633 802590612 /nfs/dbraw/zinc/59/06/12/802590612.db2.gz ZOSDKFWXYIBNOG-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C1 ZINC001221657462 802601654 /nfs/dbraw/zinc/60/16/54/802601654.db2.gz XLYRDIRUWBFTQB-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818205 802618387 /nfs/dbraw/zinc/61/83/87/802618387.db2.gz KCPGFLCAQUWABI-HZPDHXFCSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223928379 802823207 /nfs/dbraw/zinc/82/32/07/802823207.db2.gz BBJDTYHBMWAAFY-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224559034 802881855 /nfs/dbraw/zinc/88/18/55/802881855.db2.gz LUNSRHBXDGSWRA-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225426743 802964003 /nfs/dbraw/zinc/96/40/03/802964003.db2.gz GDHZYLPCKJPFLS-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227083288 803196743 /nfs/dbraw/zinc/19/67/43/803196743.db2.gz REMRGUPWVAPZRI-ZACQAIPSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001330668315 1149244735 /nfs/dbraw/zinc/24/47/35/1149244735.db2.gz UDJLVVOXPFUKPU-QAETUUGQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001331016763 1149360355 /nfs/dbraw/zinc/36/03/55/1149360355.db2.gz SHNWVCVZXBSZBF-KRWDZBQOSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CC[NH+]1CCC(OC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001344373069 1150818892 /nfs/dbraw/zinc/81/88/92/1150818892.db2.gz IPRSGTOHGARNPA-KRWDZBQOSA-N 2 0 306.450 2.138 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC001368486006 1148463482 /nfs/dbraw/zinc/46/34/82/1148463482.db2.gz HNINJPYDSQVWBE-UHFFFAOYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001351165811 1151480652 /nfs/dbraw/zinc/48/06/52/1151480652.db2.gz QJVIGZWQLWWEGT-JFIYKMOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001328868309 1148843456 /nfs/dbraw/zinc/84/34/56/1148843456.db2.gz CFHCPUIVFHHTBX-VMBOVVBDSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001500111554 1058498211 /nfs/dbraw/zinc/49/82/11/1058498211.db2.gz QRGZGRUTBNFULK-RDJZCZTQSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462546062 1058848740 /nfs/dbraw/zinc/84/87/40/1058848740.db2.gz KEMOVUGEBPPUCW-UHOSZYNNSA-N 2 0 300.446 2.261 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001501143062 1059324983 /nfs/dbraw/zinc/32/49/83/1059324983.db2.gz IPAAOSZSXVLKDV-ZWKOTPCHSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001479694179 1061608647 /nfs/dbraw/zinc/60/86/47/1061608647.db2.gz MUXWGOFPJYKQAQ-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+][C@H](CCN(C)C(=O)CC[NH+]1CCCCC1)C(C)C ZINC001506484963 1062030245 /nfs/dbraw/zinc/03/02/45/1062030245.db2.gz CZHKRUCBMMTAQI-GOSISDBHSA-N 2 0 321.509 2.348 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001506581662 1062157185 /nfs/dbraw/zinc/15/71/85/1062157185.db2.gz YDZFHULJQFEFJU-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001480140753 1062377267 /nfs/dbraw/zinc/37/72/67/1062377267.db2.gz GJKFJDVEPNCEFL-QAETUUGQSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480240481 1062504213 /nfs/dbraw/zinc/50/42/13/1062504213.db2.gz WCRAKNBQUSZGND-IXDOHACOSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480300482 1062606414 /nfs/dbraw/zinc/60/64/14/1062606414.db2.gz NTNNXUVOCTXDSY-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001507326536 1063100672 /nfs/dbraw/zinc/10/06/72/1063100672.db2.gz VDYKPEXRQBPZOA-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001507347221 1063134891 /nfs/dbraw/zinc/13/48/91/1063134891.db2.gz HEVMDAJAVHKICH-YJBOKZPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001507349598 1063137923 /nfs/dbraw/zinc/13/79/23/1063137923.db2.gz WAGRKLBZFUVKFR-YJBOKZPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001507408505 1063245204 /nfs/dbraw/zinc/24/52/04/1063245204.db2.gz GQVGSKVOWOZAGX-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494030501 1064091574 /nfs/dbraw/zinc/09/15/74/1064091574.db2.gz PMJHPZCRQOJDLD-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494136427 1064136026 /nfs/dbraw/zinc/13/60/26/1064136026.db2.gz DDAYKLLONRBFHB-FUHWJXTLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001494214551 1064177628 /nfs/dbraw/zinc/17/76/28/1064177628.db2.gz WZTNRFGKHYQHNH-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567419232 1064192081 /nfs/dbraw/zinc/19/20/81/1064192081.db2.gz KKOKSWDPAPYZLX-IRXDYDNUSA-N 2 0 309.498 2.347 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001567633230 1064292699 /nfs/dbraw/zinc/29/26/99/1064292699.db2.gz HVOXVCNOCWFOGE-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001567661051 1064325809 /nfs/dbraw/zinc/32/58/09/1064325809.db2.gz PKXPHQMCXVSUDU-ZWKOTPCHSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001567662614 1064326482 /nfs/dbraw/zinc/32/64/82/1064326482.db2.gz BBZZGWUGHFFEDQ-GOSISDBHSA-N 2 0 315.461 2.351 20 30 DEEDRP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCCC[NH+](C)C)C1 ZINC001567689980 1064348257 /nfs/dbraw/zinc/34/82/57/1064348257.db2.gz ZVOKGBINEVOPJE-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001567752620 1064403603 /nfs/dbraw/zinc/40/36/03/1064403603.db2.gz BJZQKVSEGUXQIK-SFHVURJKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567976828 1064574780 /nfs/dbraw/zinc/57/47/80/1064574780.db2.gz KQGSLOPWSNDOJW-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001611434435 1078101499 /nfs/dbraw/zinc/10/14/99/1078101499.db2.gz VIFRDJSEBSDUDP-GOSISDBHSA-N 2 0 315.461 2.448 20 30 DEEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001495013606 1064641763 /nfs/dbraw/zinc/64/17/63/1064641763.db2.gz SJLITBAOFKITSR-HNNXBMFYSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001495013607 1064643713 /nfs/dbraw/zinc/64/37/13/1064643713.db2.gz SJLITBAOFKITSR-OAHLLOKOSA-N 2 0 307.482 2.147 20 30 DEEDRP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001568112586 1064652964 /nfs/dbraw/zinc/65/29/64/1064652964.db2.gz DHTVMXUSXXSGKK-WKILWMFISA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001568336166 1064786759 /nfs/dbraw/zinc/78/67/59/1064786759.db2.gz NVZDPIHVEOQTFR-KRWDZBQOSA-N 2 0 309.498 2.415 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001568346779 1064793999 /nfs/dbraw/zinc/79/39/99/1064793999.db2.gz NXQAVAQNXAUXCB-AEFFLSMTSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001568346781 1064795014 /nfs/dbraw/zinc/79/50/14/1064795014.db2.gz NXQAVAQNXAUXCB-SJLPKXTDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568401567 1064838251 /nfs/dbraw/zinc/83/82/51/1064838251.db2.gz VSMCUFAVTPDPAH-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568401563 1064838885 /nfs/dbraw/zinc/83/88/85/1064838885.db2.gz VSMCUFAVTPDPAH-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001568431087 1064866856 /nfs/dbraw/zinc/86/68/56/1064866856.db2.gz DTZKZVMPFUAJEZ-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001568437640 1064871836 /nfs/dbraw/zinc/87/18/36/1064871836.db2.gz CEJZSOCQRPMYJO-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001495443740 1064909941 /nfs/dbraw/zinc/90/99/41/1064909941.db2.gz GOZDIGAZMRFXJE-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC/C=C/CC)CC1 ZINC001568506976 1064920446 /nfs/dbraw/zinc/92/04/46/1064920446.db2.gz YUGYQBFDQUENKS-BQYQJAHWSA-N 2 0 319.493 2.078 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001495925322 1065177178 /nfs/dbraw/zinc/17/71/78/1065177178.db2.gz MVVFLQZWNGGLGM-UHFFFAOYSA-N 2 0 319.493 2.457 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568928061 1065196235 /nfs/dbraw/zinc/19/62/35/1065196235.db2.gz HAXHNEKEQKJBSF-LLYBFZRZSA-N 2 0 313.873 2.264 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001495960619 1065196291 /nfs/dbraw/zinc/19/62/91/1065196291.db2.gz JRCTUGWZHFBGSO-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001496316111 1065403826 /nfs/dbraw/zinc/40/38/26/1065403826.db2.gz YBWSQAIVNHCFLX-ROUUACIJSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001496465606 1065487945 /nfs/dbraw/zinc/48/79/45/1065487945.db2.gz YOVNFKSIXXVUKL-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001569526202 1065569577 /nfs/dbraw/zinc/56/95/77/1065569577.db2.gz HYTNYRZBHSRFDF-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)CCc2c[nH]cn2)CC1 ZINC001569573587 1065601841 /nfs/dbraw/zinc/60/18/41/1065601841.db2.gz YLXJDMYDIBIWEW-UHFFFAOYSA-N 2 0 304.438 2.279 20 30 DEEDRP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CCC(=C)C)CC1 ZINC001569595686 1065613733 /nfs/dbraw/zinc/61/37/33/1065613733.db2.gz XXRIFWWGOULRKO-UHFFFAOYSA-N 2 0 319.493 2.221 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001496903818 1065791752 /nfs/dbraw/zinc/79/17/52/1065791752.db2.gz JJALYZRVAWJZED-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300005 1148517182 /nfs/dbraw/zinc/51/71/82/1148517182.db2.gz RZSLQBXHDWPWDW-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001570179528 1065957896 /nfs/dbraw/zinc/95/78/96/1065957896.db2.gz PXHHQABKQFQPIB-MRXNPFEDSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001497474994 1066111133 /nfs/dbraw/zinc/11/11/33/1066111133.db2.gz WBKZADQXEAYCEK-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001576639290 1066652619 /nfs/dbraw/zinc/65/26/19/1066652619.db2.gz ZXXJUAMFKHUYSO-CYBMUJFWSA-N 2 0 314.389 2.430 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001498872340 1066932062 /nfs/dbraw/zinc/93/20/62/1066932062.db2.gz GCDDTZGLVBVINE-ROUUACIJSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001498904545 1066949118 /nfs/dbraw/zinc/94/91/18/1066949118.db2.gz VJVLJVZDXKCXID-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001499272471 1067164857 /nfs/dbraw/zinc/16/48/57/1067164857.db2.gz NFICDXLWTQMSDX-UHFFFAOYSA-N 2 0 312.417 2.461 20 30 DEEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580047837 1067481849 /nfs/dbraw/zinc/48/18/49/1067481849.db2.gz PYXRJAQIQJHACY-QGZVFWFLSA-N 2 0 320.481 2.122 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001483562236 1078599387 /nfs/dbraw/zinc/59/93/87/1078599387.db2.gz BWTUOYDYGYNLAZ-YESZJQIVSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001570534991 1067991989 /nfs/dbraw/zinc/99/19/89/1067991989.db2.gz UQDJFDRGOSGCRC-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267182128 1078645903 /nfs/dbraw/zinc/64/59/03/1078645903.db2.gz VEOPRXAHCSALPA-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H](CCN(C)C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001570778964 1068115475 /nfs/dbraw/zinc/11/54/75/1068115475.db2.gz CSXRWJATCFWBAF-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001571049215 1068176804 /nfs/dbraw/zinc/17/68/04/1068176804.db2.gz RTPNOWWWNANEGK-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP 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 1078775489 /nfs/dbraw/zinc/77/54/89/1078775489.db2.gz OKDWFQUVHNSJFY-YVSFHVDLSA-N 2 0 307.482 2.118 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001267341405 1078779201 /nfs/dbraw/zinc/77/92/01/1078779201.db2.gz WWWAFUFPVNLPPU-UHFFFAOYSA-N 2 0 315.461 2.212 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001542326523 1072456422 /nfs/dbraw/zinc/45/64/22/1072456422.db2.gz GMTFLERZEFVUPH-WBVHZDCISA-N 2 0 301.434 2.056 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272477699 1078912264 /nfs/dbraw/zinc/91/22/64/1078912264.db2.gz AFHYQBHQWDPEKP-GOSISDBHSA-N 2 0 309.498 2.443 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC001543728155 1072505434 /nfs/dbraw/zinc/50/54/34/1072505434.db2.gz MQDNKJMKJAIFPP-UHFFFAOYSA-N 2 0 305.422 2.073 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267565743 1078999871 /nfs/dbraw/zinc/99/98/71/1078999871.db2.gz UAOZVFKHRAPXTR-MRXNPFEDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001483944092 1079200454 /nfs/dbraw/zinc/20/04/54/1079200454.db2.gz OIMIJPLTJCNKBB-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001483935142 1079195650 /nfs/dbraw/zinc/19/56/50/1079195650.db2.gz SSVNDOJNBRGVAR-SJORKVTESA-N 2 0 316.449 2.074 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481112763 1079196688 /nfs/dbraw/zinc/19/66/88/1079196688.db2.gz RYUFLZXMNOSOPB-INIZCTEOSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001483952549 1079207976 /nfs/dbraw/zinc/20/79/76/1079207976.db2.gz XVIQPRSULCDMEN-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001267670462 1079359313 /nfs/dbraw/zinc/35/93/13/1079359313.db2.gz RRTQGKNSLMLIGB-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001565852561 1075197406 /nfs/dbraw/zinc/19/74/06/1075197406.db2.gz PITNEZDHNCZPQJ-XWTMOSNGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001566012711 1075216639 /nfs/dbraw/zinc/21/66/39/1075216639.db2.gz PZTKEDUJONGOEQ-OKZBNKHCSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001566714266 1075324646 /nfs/dbraw/zinc/32/46/46/1075324646.db2.gz JIHWYEJNVATDRB-RDJZCZTQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001566813828 1075351392 /nfs/dbraw/zinc/35/13/92/1075351392.db2.gz PHQIYMUSAWQHKN-LUKYLMHMSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001566854934 1075363055 /nfs/dbraw/zinc/36/30/55/1075363055.db2.gz UAQPLBMYEGXMAR-TWMKSMIVSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001566987787 1075408942 /nfs/dbraw/zinc/40/89/42/1075408942.db2.gz LSMJEPCZIYTYEV-KLAILNCOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567054443 1075424037 /nfs/dbraw/zinc/42/40/37/1075424037.db2.gz RLELFCMBXCORKT-RHSMWYFYSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567143974 1075443340 /nfs/dbraw/zinc/44/33/40/1075443340.db2.gz UDDBUKZZVUYBCG-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567143976 1075443551 /nfs/dbraw/zinc/44/35/51/1075443551.db2.gz UDDBUKZZVUYBCG-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567166566 1075450315 /nfs/dbraw/zinc/45/03/15/1075450315.db2.gz GGOYEYZCZSPTOE-CVEARBPZSA-N 2 0 324.428 2.297 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001567264079 1075480277 /nfs/dbraw/zinc/48/02/77/1075480277.db2.gz BHNFXKIWHWXFCV-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001267839737 1079528754 /nfs/dbraw/zinc/52/87/54/1079528754.db2.gz ASNWESVTHIMWFZ-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267912557 1079597031 /nfs/dbraw/zinc/59/70/31/1079597031.db2.gz TZNYXIUHIJNNEF-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267919065 1079601411 /nfs/dbraw/zinc/60/14/11/1079601411.db2.gz NSMXUDBMAWXDNT-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C(C)C ZINC001272683055 1079610579 /nfs/dbraw/zinc/61/05/79/1079610579.db2.gz NYSUGBPSWKJCED-UHFFFAOYSA-N 2 0 303.450 2.261 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267929474 1079612339 /nfs/dbraw/zinc/61/23/39/1079612339.db2.gz LSMJEPCZIYTYEV-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267956876 1079636793 /nfs/dbraw/zinc/63/67/93/1079636793.db2.gz JOLVREGRWHLUSX-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001484771964 1079787321 /nfs/dbraw/zinc/78/73/21/1079787321.db2.gz JDFKJSUOKKWKDQ-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484811208 1079804224 /nfs/dbraw/zinc/80/42/24/1079804224.db2.gz XQMQGGQHGXVOCX-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001484876133 1079832762 /nfs/dbraw/zinc/83/27/62/1079832762.db2.gz TUKWJJHJCXHMSE-UHFFFAOYSA-N 2 0 313.445 2.290 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001485040133 1079934750 /nfs/dbraw/zinc/93/47/50/1079934750.db2.gz FCYXCOPSKNCTEJ-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481495667 1079955371 /nfs/dbraw/zinc/95/53/71/1079955371.db2.gz CGVNSTNZKOJYAN-BBWFWOEESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001485094984 1079977018 /nfs/dbraw/zinc/97/70/18/1079977018.db2.gz PJUICBREGKVWPU-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268107247 1080077801 /nfs/dbraw/zinc/07/78/01/1080077801.db2.gz ZUZQXIUVRKJRDA-DLBZAZTESA-N 2 0 307.482 2.025 20 30 DEEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304545 1080141171 /nfs/dbraw/zinc/14/11/71/1080141171.db2.gz XOYMRNGIQQWPSS-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001485785887 1080432548 /nfs/dbraw/zinc/43/25/48/1080432548.db2.gz NSFOMWBUSAKNTR-IAGOWNOFSA-N 2 0 307.482 2.025 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001662315296 1080596135 /nfs/dbraw/zinc/59/61/35/1080596135.db2.gz YLKSNUDTUKVAGN-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001481910686 1080598896 /nfs/dbraw/zinc/59/88/96/1080598896.db2.gz WHCCIMISIAQUSP-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001482004899 1080679977 /nfs/dbraw/zinc/67/99/77/1080679977.db2.gz YCDPVTRLRFRKSV-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001482034810 1080721893 /nfs/dbraw/zinc/72/18/93/1080721893.db2.gz CAHQKAMTNIDZLI-GOSISDBHSA-N 2 0 315.461 2.002 20 30 DEEDRP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001663663972 1080800237 /nfs/dbraw/zinc/80/02/37/1080800237.db2.gz JJCYGYPVRSUKJH-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001664588379 1080929263 /nfs/dbraw/zinc/92/92/63/1080929263.db2.gz TUJXBZIIPMSJNJ-GOSISDBHSA-N 2 0 315.461 2.351 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001664876284 1080975492 /nfs/dbraw/zinc/97/54/92/1080975492.db2.gz QDADEBSQUTUHJQ-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001665601523 1081044261 /nfs/dbraw/zinc/04/42/61/1081044261.db2.gz JREDBIANUYGGTA-GOSISDBHSA-N 2 0 315.461 2.275 20 30 DEEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001665871361 1081091524 /nfs/dbraw/zinc/09/15/24/1081091524.db2.gz HHCDZCKMTZUHSN-MSOLQXFVSA-N 2 0 315.461 2.187 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001665928114 1081098536 /nfs/dbraw/zinc/09/85/36/1081098536.db2.gz CXDPBSHGCLJQMS-DLBZAZTESA-N 2 0 317.477 2.045 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001666389142 1081150096 /nfs/dbraw/zinc/15/00/96/1081150096.db2.gz CRYRAIVEKHMQSP-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001666767435 1081180158 /nfs/dbraw/zinc/18/01/58/1081180158.db2.gz GDUOFYRBEUISAT-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001269254641 1081185078 /nfs/dbraw/zinc/18/50/78/1081185078.db2.gz CWXKENOJPACXRX-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298573 1081239632 /nfs/dbraw/zinc/23/96/32/1081239632.db2.gz FBMHVJRANIMJBM-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001667565517 1081264002 /nfs/dbraw/zinc/26/40/02/1081264002.db2.gz FTBKJTJSBIHHMU-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000950089894 1081268578 /nfs/dbraw/zinc/26/85/78/1081268578.db2.gz PWSXRXPRWNZMHG-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001667695089 1081275058 /nfs/dbraw/zinc/27/50/58/1081275058.db2.gz UUPGJQMJZVRROJ-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001284770364 1081432382 /nfs/dbraw/zinc/43/23/82/1081432382.db2.gz BOOIBUZSGXVBPQ-FHERZECASA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001270065649 1081442208 /nfs/dbraw/zinc/44/22/08/1081442208.db2.gz VHQFFJYFRFWKSV-UHFFFAOYSA-N 2 0 301.434 2.063 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001669986319 1081487486 /nfs/dbraw/zinc/48/74/86/1081487486.db2.gz QWQPZHUTOXPDSX-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001673222158 1081747867 /nfs/dbraw/zinc/74/78/67/1081747867.db2.gz TVRALMJWFGGEFP-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001270926175 1081840785 /nfs/dbraw/zinc/84/07/85/1081840785.db2.gz RURILAZMRXFPTM-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001674348661 1081863330 /nfs/dbraw/zinc/86/33/30/1081863330.db2.gz ZBBMFQQTIYDLSF-GOSISDBHSA-N 2 0 321.509 2.156 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271016787 1081876362 /nfs/dbraw/zinc/87/63/62/1081876362.db2.gz JFHLMFCZRDHTMH-IBGZPJMESA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001674573641 1081890115 /nfs/dbraw/zinc/89/01/15/1081890115.db2.gz FUCMTNMGHSHMSD-SOEBMCCKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001271425331 1082036732 /nfs/dbraw/zinc/03/67/32/1082036732.db2.gz HQMCSQTZKLWCHO-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266466723 1082057463 /nfs/dbraw/zinc/05/74/63/1082057463.db2.gz UMWDNFZQJIYLQF-MSOLQXFVSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001271711570 1082115847 /nfs/dbraw/zinc/11/58/47/1082115847.db2.gz JMZVRUOFLOUUAE-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C2 ZINC001271749915 1082145280 /nfs/dbraw/zinc/14/52/80/1082145280.db2.gz LAJKYWBLIPAPTO-BCDXTJNWSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)C ZINC001271923387 1082194804 /nfs/dbraw/zinc/19/48/04/1082194804.db2.gz UTRKMHUHTGCBAS-MSOLQXFVSA-N 2 0 315.461 2.043 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001671564602 1082201658 /nfs/dbraw/zinc/20/16/58/1082201658.db2.gz SXMIJNXNUBGUAR-DOTOQJQBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001272053793 1082340795 /nfs/dbraw/zinc/34/07/95/1082340795.db2.gz OTWCVMSSHMTVAP-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167476742 1082342872 /nfs/dbraw/zinc/34/28/72/1082342872.db2.gz HKNBFPZAQSFJEL-KRWDZBQOSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001482686411 1082483541 /nfs/dbraw/zinc/48/35/41/1082483541.db2.gz JVCWYDQOJGZLGX-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001505818289 1082488259 /nfs/dbraw/zinc/48/82/59/1082488259.db2.gz RHYAOEDGWUNLNG-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550546 1083474256 /nfs/dbraw/zinc/47/42/56/1083474256.db2.gz ZWTXNFJKCORNKM-YQVWRLOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001490902001 1083875270 /nfs/dbraw/zinc/87/52/70/1083875270.db2.gz BFFVDKDLCZLRPS-LUKYLMHMSA-N 2 0 305.466 2.206 20 30 DEEDRP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001277398166 1083947823 /nfs/dbraw/zinc/94/78/23/1083947823.db2.gz DUAKWVBVNLFUBK-UHFFFAOYSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001272763958 1083971304 /nfs/dbraw/zinc/97/13/04/1083971304.db2.gz ZPOACRXGVAFYHW-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001670940802 1084158928 /nfs/dbraw/zinc/15/89/28/1084158928.db2.gz WTOYOQPJVJTEOL-CSNJMZFVSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCOc1ccccc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235008710 1084270752 /nfs/dbraw/zinc/27/07/52/1084270752.db2.gz QDXGILQWRJZGNT-IBGZPJMESA-N 2 0 316.445 2.453 20 30 DEEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001272925695 1084620962 /nfs/dbraw/zinc/62/09/62/1084620962.db2.gz ACZOGPLQCKDNQF-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001486159346 1085099511 /nfs/dbraw/zinc/09/95/11/1085099511.db2.gz GEEKABIMYMGHJR-AEFFLSMTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181950 1085109501 /nfs/dbraw/zinc/10/95/01/1085109501.db2.gz WBEZPJAPZYUICM-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001494137705 1085163025 /nfs/dbraw/zinc/16/30/25/1085163025.db2.gz NRSLERGPIUGJFD-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001486370105 1085240109 /nfs/dbraw/zinc/24/01/09/1085240109.db2.gz QNWXANHFWVSKKL-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961181307 1085626228 /nfs/dbraw/zinc/62/62/28/1085626228.db2.gz JDAPGCMIWHGABT-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961216958 1085640554 /nfs/dbraw/zinc/64/05/54/1085640554.db2.gz BPMNSNIXNKUAFZ-ROUUACIJSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961350486 1085700302 /nfs/dbraw/zinc/70/03/02/1085700302.db2.gz XJNAFPAPLVDGFV-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000963612953 1086512816 /nfs/dbraw/zinc/51/28/16/1086512816.db2.gz GAONDIXPKRAPDB-DAWZGUTISA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079849213 1088471172 /nfs/dbraw/zinc/47/11/72/1088471172.db2.gz QISVJFZGDLHKCB-OIISXLGYSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080255290 1088743045 /nfs/dbraw/zinc/74/30/45/1088743045.db2.gz UWKOTSOQOPBOTB-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CCCCC1 ZINC001115536630 1088784318 /nfs/dbraw/zinc/78/43/18/1088784318.db2.gz AIPVHGOJKGCJOD-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095902968 1089093757 /nfs/dbraw/zinc/09/37/57/1089093757.db2.gz VVTXBKYAGCUDJZ-YVSFHVDLSA-N 2 0 305.466 2.016 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041243 1090630091 /nfs/dbraw/zinc/63/00/91/1090630091.db2.gz INHSSYFJISVEBH-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001438922456 1091434506 /nfs/dbraw/zinc/43/45/06/1091434506.db2.gz MZKMBVFTWQATMV-HUUCEWRRSA-N 2 0 313.873 2.146 20 30 DEEDRP C#Cc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1 ZINC001275131727 1091574364 /nfs/dbraw/zinc/57/43/64/1091574364.db2.gz IAGSSSRYUWMDNJ-UHFFFAOYSA-N 2 0 311.473 2.127 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001276243843 1091732768 /nfs/dbraw/zinc/73/27/68/1091732768.db2.gz GOCWYJKSWPURMI-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001275624197 1091917999 /nfs/dbraw/zinc/91/79/99/1091917999.db2.gz IZSDPAAPYAAOLE-DAWZGUTISA-N 2 0 321.509 2.489 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001273577778 1091932464 /nfs/dbraw/zinc/93/24/64/1091932464.db2.gz DTVDQURBNZGCAO-SJORKVTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001273598696 1091943868 /nfs/dbraw/zinc/94/38/68/1091943868.db2.gz GQAPWOUPYHGSTD-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCN1c2ccccc2[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711733 1092008384 /nfs/dbraw/zinc/00/83/84/1092008384.db2.gz HDLPOIICRUWITN-IBGZPJMESA-N 2 0 313.445 2.114 20 30 DEEDRP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001275709150 1092026128 /nfs/dbraw/zinc/02/61/28/1092026128.db2.gz ATAGNKTYQFOWSP-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006441800 1092117716 /nfs/dbraw/zinc/11/77/16/1092117716.db2.gz FPGOEABJFZDOES-UHFFFAOYSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001275858734 1092240675 /nfs/dbraw/zinc/24/06/75/1092240675.db2.gz OQCBAMLTBXLNPN-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001273839634 1092302790 /nfs/dbraw/zinc/30/27/90/1092302790.db2.gz BANREALOLUSYCO-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001488947171 1092843806 /nfs/dbraw/zinc/84/38/06/1092843806.db2.gz KXSDEDSLSQYWOW-OKZBNKHCSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001489129196 1092936365 /nfs/dbraw/zinc/93/63/65/1092936365.db2.gz XERVQRBQGSKZLO-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001489327403 1093021391 /nfs/dbraw/zinc/02/13/91/1093021391.db2.gz ZKYNNKOIRVBILG-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001490774307 1093521702 /nfs/dbraw/zinc/52/17/02/1093521702.db2.gz IATAQXIGPLRLIT-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP N#Cc1cc(-c2cccc3c2CC[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001236349584 1138354280 /nfs/dbraw/zinc/35/42/80/1138354280.db2.gz YBZNVXNBNUJFJM-UHFFFAOYSA-N 2 0 318.424 2.281 20 30 DEEDRP C[NH+](C)CCN(Cc1c(Cl)cccc1C#N)[C@H]1CCC[NH2+]C1 ZINC001236931021 1138459990 /nfs/dbraw/zinc/45/99/90/1138459990.db2.gz CKXZTDOTKCVXGQ-HNNXBMFYSA-N 2 0 320.868 2.327 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001278253609 1138859887 /nfs/dbraw/zinc/85/98/87/1138859887.db2.gz XFBZFUJFOPBNCM-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001491604049 1140243765 /nfs/dbraw/zinc/24/37/65/1140243765.db2.gz XUEFPGWVRHALAW-KBPBESRZSA-N 2 0 301.862 2.096 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001318984496 1140486187 /nfs/dbraw/zinc/48/61/87/1140486187.db2.gz VMYUIRYMSFPPNX-KZNAEPCWSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001319080548 1140500911 /nfs/dbraw/zinc/50/09/11/1140500911.db2.gz AVDVZVFLMOCSQK-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001319890674 1140800510 /nfs/dbraw/zinc/80/05/10/1140800510.db2.gz PLYQTIIXQVZVMI-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP CC[C@@H]1C[C@H](NC(=[NH2+])c2ccc(C(=O)OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246302646 1140882951 /nfs/dbraw/zinc/88/29/51/1140882951.db2.gz BMAGHKOTIZINFC-ZSHCYNCHSA-N 2 0 317.433 2.488 20 30 DEEDRP N#C[C@@H]1C[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246403653 1140895055 /nfs/dbraw/zinc/89/50/55/1140895055.db2.gz HXBBUIHNLHLEIQ-BZSNNMDCSA-N 2 0 316.424 2.100 20 30 DEEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3CC[NH2+]CC3)CC2)C1 ZINC001246526152 1140934487 /nfs/dbraw/zinc/93/44/87/1140934487.db2.gz MRUWEABXRRXKIQ-UHFFFAOYSA-N 2 0 321.465 2.239 20 30 DEEDRP CC(N=NC(=O)C[N+](C)(C)C)=C1C=C[NH2+]N1c1ccccc1 ZINC001321333201 1141175461 /nfs/dbraw/zinc/17/54/61/1141175461.db2.gz ZHBJKLVCIMKMPU-UHFFFAOYSA-O 2 0 300.386 2.441 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001323696720 1141877611 /nfs/dbraw/zinc/87/76/11/1141877611.db2.gz UKANIQPGFNRUNE-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278518989 1141926317 /nfs/dbraw/zinc/92/63/17/1141926317.db2.gz LEXVAXZGKJRFIU-QGZVFWFLSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001324344813 1142058873 /nfs/dbraw/zinc/05/88/73/1142058873.db2.gz YXVHVCMFPQLTRR-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001324343787 1142059239 /nfs/dbraw/zinc/05/92/39/1142059239.db2.gz UAQFELYBUVJODK-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001252571753 1142768544 /nfs/dbraw/zinc/76/85/44/1142768544.db2.gz JSKJYNARNBDTJQ-MKXGPGLRSA-N 2 0 300.446 2.424 20 30 DEEDRP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001253202878 1142853615 /nfs/dbraw/zinc/85/36/15/1142853615.db2.gz AVBBUQRKEALCER-CYBMUJFWSA-N 2 0 317.355 2.113 20 30 DEEDRP N#CC1CC[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254030055 1143029262 /nfs/dbraw/zinc/02/92/62/1143029262.db2.gz UXODAQQGSVPQMF-UHFFFAOYSA-N 2 0 313.445 2.249 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1=CCC[NH2+]CC1)C(C)C ZINC001341555503 1143628759 /nfs/dbraw/zinc/62/87/59/1143628759.db2.gz KJCGTYWVLNBOLY-QGZVFWFLSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001341805038 1143713835 /nfs/dbraw/zinc/71/38/35/1143713835.db2.gz HPGZFIQBQWUJSE-QZTJIDSGSA-N 2 0 315.461 2.403 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)CCC[NH2+]1 ZINC001342761841 1143835160 /nfs/dbraw/zinc/83/51/60/1143835160.db2.gz OSHQYPSHHCLIEJ-YJBOKZPZSA-N 2 0 305.466 2.052 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001278977518 1143875932 /nfs/dbraw/zinc/87/59/32/1143875932.db2.gz CBTNSGRVZMLXEZ-OAHLLOKOSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001264127447 1144477373 /nfs/dbraw/zinc/47/73/73/1144477373.db2.gz FTURWJGQFNCRGN-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001265087260 1144640706 /nfs/dbraw/zinc/64/07/06/1144640706.db2.gz XHBOSQBWXLZHBB-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265453961 1144704971 /nfs/dbraw/zinc/70/49/71/1144704971.db2.gz BHSFELSPUKOUDG-IRXDYDNUSA-N 2 0 301.434 2.056 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265938389 1144763595 /nfs/dbraw/zinc/76/35/95/1144763595.db2.gz URIKEAVVAQJWTL-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266116930 1144807270 /nfs/dbraw/zinc/80/72/70/1144807270.db2.gz OXABMKFHFMSOBZ-SJORKVTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266222900 1144816075 /nfs/dbraw/zinc/81/60/75/1144816075.db2.gz GVHYIQSHZLYLRO-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001279288959 1144820206 /nfs/dbraw/zinc/82/02/06/1144820206.db2.gz TZFMGJYLBBIKRG-IYARVYRRSA-N 2 0 319.493 2.008 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001279402705 1144821931 /nfs/dbraw/zinc/82/19/31/1144821931.db2.gz DMBIDAACLYRJHN-YESZJQIVSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001279587486 1144825176 /nfs/dbraw/zinc/82/51/76/1144825176.db2.gz MWPFWCQCCZUQOQ-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001280499385 1144842893 /nfs/dbraw/zinc/84/28/93/1144842893.db2.gz CVTWOXNHPNEOBH-KRWDZBQOSA-N 2 0 317.477 2.045 20 30 DEEDRP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001282968533 1145219551 /nfs/dbraw/zinc/21/95/51/1145219551.db2.gz URQIXOPITNZZAK-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001284818102 1145924518 /nfs/dbraw/zinc/92/45/18/1145924518.db2.gz COLPELHZFVLDJV-GTPINHCMSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491890699 1146958819 /nfs/dbraw/zinc/95/88/19/1146958819.db2.gz FIKCHRIYMFGLDT-JKSUJKDBSA-N 2 0 305.466 2.065 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001492165541 1147108473 /nfs/dbraw/zinc/10/84/73/1147108473.db2.gz XAOGUOIOZSIFQW-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001317203862 1147273508 /nfs/dbraw/zinc/27/35/08/1147273508.db2.gz APIQINQMPZNLOM-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001366780537 1147555975 /nfs/dbraw/zinc/55/59/75/1147555975.db2.gz DTTCWICNRYQEAE-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001316925796 1147632855 /nfs/dbraw/zinc/63/28/55/1147632855.db2.gz XXCJVWJCMZNMOJ-SFHVURJKSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316995266 1147646340 /nfs/dbraw/zinc/64/63/40/1147646340.db2.gz OOANATNAGKNFRS-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317122706 1147662339 /nfs/dbraw/zinc/66/23/39/1147662339.db2.gz UCQIDABFZFRNTQ-HDICACEKSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001317149580 1147666952 /nfs/dbraw/zinc/66/69/52/1147666952.db2.gz JQDIAAUPPJMXSY-OAHLLOKOSA-N 2 0 304.438 2.137 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317407842 1147702260 /nfs/dbraw/zinc/70/22/60/1147702260.db2.gz ZGPJJMQGWCTIFM-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317721018 1147747132 /nfs/dbraw/zinc/74/71/32/1147747132.db2.gz QTGDFYUUHUWOQC-ZWKOTPCHSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300805 1147808565 /nfs/dbraw/zinc/80/85/65/1147808565.db2.gz AXHNYOQLMYSIRF-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001324753713 1147840335 /nfs/dbraw/zinc/84/03/35/1147840335.db2.gz WYIIGVQEWUSODO-SFHVURJKSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001326271965 1148067442 /nfs/dbraw/zinc/06/74/42/1148067442.db2.gz GEPNZTZEUSUQNT-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326480883 1148109788 /nfs/dbraw/zinc/10/97/88/1148109788.db2.gz OGCWAQRXMUYPTO-WMLDXEAASA-N 2 0 301.434 2.234 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001368098289 1148219138 /nfs/dbraw/zinc/21/91/38/1148219138.db2.gz JLWMBIIYWZPOPG-GJZGRUSLSA-N 2 0 313.873 2.192 20 30 DEEDRP CN1CC[NH+]=C1NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000261859483 529778580 /nfs/dbraw/zinc/77/85/80/529778580.db2.gz AJXSJLHNUKVSMC-UHFFFAOYSA-N 2 0 320.868 2.443 20 30 DEEDRP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266985712 530056809 /nfs/dbraw/zinc/05/68/09/530056809.db2.gz QJLLFVITSICZAP-CYBMUJFWSA-N 2 0 314.355 2.204 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660599505 540310984 /nfs/dbraw/zinc/31/09/84/540310984.db2.gz KDTZTKJXLFUECW-INIZCTEOSA-N 2 0 322.497 2.199 20 30 DEEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000598597678 359256626 /nfs/dbraw/zinc/25/66/26/359256626.db2.gz SURCOLRBPSJTRF-XIRDDKMYSA-N 2 0 305.466 2.236 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccc(C#N)c3)c2)CC1 ZINC000601068568 359911100 /nfs/dbraw/zinc/91/11/00/359911100.db2.gz NFECMBIIMXIZAU-UHFFFAOYSA-N 2 0 307.401 2.317 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)C(C)C ZINC000669385645 540823268 /nfs/dbraw/zinc/82/32/68/540823268.db2.gz AJCYVSWRWKWFSQ-INIZCTEOSA-N 2 0 322.497 2.208 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000106271732 194193555 /nfs/dbraw/zinc/19/35/55/194193555.db2.gz YLRIQUDSEBNEHO-HNNXBMFYSA-N 2 0 310.486 2.056 20 30 DEEDRP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000268953756 207118239 /nfs/dbraw/zinc/11/82/39/207118239.db2.gz FPENTORKPFHHDB-OALUTQOASA-N 2 0 313.445 2.416 20 30 DEEDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000320527129 145374967 /nfs/dbraw/zinc/37/49/67/145374967.db2.gz NAPHWLSGCCGKSU-UHFFFAOYSA-N 2 0 314.433 2.160 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099027660 782000723 /nfs/dbraw/zinc/00/07/23/782000723.db2.gz PBHPQACSDYSWGU-LPHOPBHVSA-N 2 0 319.493 2.265 20 30 DEEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123358259 402123305 /nfs/dbraw/zinc/12/33/05/402123305.db2.gz ZHNVABCYVLKECP-INIZCTEOSA-N 2 0 322.497 2.048 20 30 DEEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCC[NH+]2CCOCC2)c1 ZINC000104169695 402199511 /nfs/dbraw/zinc/19/95/11/402199511.db2.gz UTDUQXOXCKZXLU-UHFFFAOYSA-N 2 0 304.438 2.142 20 30 DEEDRP [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccccc1 ZINC000161482703 402389296 /nfs/dbraw/zinc/38/92/96/402389296.db2.gz KVYCHBXNZZZLEC-SFHVURJKSA-N 2 0 324.428 2.314 20 30 DEEDRP Cn1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000191547535 402678144 /nfs/dbraw/zinc/67/81/44/402678144.db2.gz VFPLJEZEYXNERR-UHFFFAOYSA-N 2 0 309.417 2.298 20 30 DEEDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192747169 402747159 /nfs/dbraw/zinc/74/71/59/402747159.db2.gz GEKHSCNTVADCBW-RDJZCZTQSA-N 2 0 313.449 2.005 20 30 DEEDRP C#CC[NH+]1CCC(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC1 ZINC000279047247 402898496 /nfs/dbraw/zinc/89/84/96/402898496.db2.gz AUFAJZKDHYQVQF-UHFFFAOYSA-N 2 0 307.357 2.197 20 30 DEEDRP CN(C(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000273370313 402998649 /nfs/dbraw/zinc/99/86/49/402998649.db2.gz VHXHRMVQVSOOKZ-UHFFFAOYSA-N 2 0 306.479 2.369 20 30 DEEDRP C=CCOc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000267454565 403039226 /nfs/dbraw/zinc/03/92/26/403039226.db2.gz SNEJEYZAVSGPOY-INIZCTEOSA-N 2 0 316.449 2.140 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000281863142 403099320 /nfs/dbraw/zinc/09/93/20/403099320.db2.gz VODYAGGUOPMOGG-UHFFFAOYSA-N 2 0 317.481 2.002 20 30 DEEDRP C=CCNC(=O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286024520 403433139 /nfs/dbraw/zinc/43/31/39/403433139.db2.gz IVTUXSHTNLORNP-UHFFFAOYSA-N 2 0 315.461 2.321 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172701 404700245 /nfs/dbraw/zinc/70/02/45/404700245.db2.gz GHWQJUNIRYBCPY-KRWDZBQOSA-N 2 0 319.493 2.383 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)C(C)C ZINC000417059224 405022493 /nfs/dbraw/zinc/02/24/93/405022493.db2.gz HUQMNUHRBVFKOU-YESZJQIVSA-N 2 0 322.497 2.112 20 30 DEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000354100180 405043829 /nfs/dbraw/zinc/04/38/29/405043829.db2.gz KEMORMVHZBINSV-SFHVURJKSA-N 2 0 301.434 2.491 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000565468788 406072540 /nfs/dbraw/zinc/07/25/40/406072540.db2.gz MEGRJIASULEBGV-UHFFFAOYSA-N 2 0 314.433 2.104 20 30 DEEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@@]1([NH+](C)C)CCSC1 ZINC000262427385 225271722 /nfs/dbraw/zinc/27/17/22/225271722.db2.gz DAIZKXJQDIKTTN-KRWDZBQOSA-N 2 0 320.506 2.131 20 30 DEEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccccc1 ZINC000267460719 225358544 /nfs/dbraw/zinc/35/85/44/225358544.db2.gz UXFKALKQQNORRA-UHFFFAOYSA-N 2 0 302.422 2.058 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001328265897 1148758976 /nfs/dbraw/zinc/75/89/76/1148758976.db2.gz FGELPTQUAYEKCY-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C(C)C ZINC000653110488 425407482 /nfs/dbraw/zinc/40/74/82/425407482.db2.gz KGXNYFFMOLDUSM-KZNAEPCWSA-N 2 0 319.493 2.332 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662682510 425711630 /nfs/dbraw/zinc/71/16/30/425711630.db2.gz INNLBQAWEXXBEA-AEFFLSMTSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)C(C)C ZINC000662681297 425712302 /nfs/dbraw/zinc/71/23/02/425712302.db2.gz FANDAQYGOJTJBW-MRXNPFEDSA-N 2 0 319.493 2.463 20 30 DEEDRP C=CC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694703 425714060 /nfs/dbraw/zinc/71/40/60/425714060.db2.gz BGYOJQGKEYPIAY-YJBOKZPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@@]1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662702849 425716773 /nfs/dbraw/zinc/71/67/73/425716773.db2.gz CFVHIYOYDRHLEC-SFHVURJKSA-N 2 0 301.434 2.428 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000294027492 276891161 /nfs/dbraw/zinc/89/11/61/276891161.db2.gz HFABJPJUYCSELK-BBWFWOEESA-N 2 0 307.482 2.319 20 30 DEEDRP COc1ccccc1[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCC1 ZINC000262260283 295382772 /nfs/dbraw/zinc/38/27/72/295382772.db2.gz JIRHCSHFLGUORB-MRXNPFEDSA-N 2 0 318.465 2.311 20 30 DEEDRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000517233843 340466216 /nfs/dbraw/zinc/46/62/16/340466216.db2.gz FIYCDGBVSFLEAE-HUUCEWRRSA-N 2 0 322.840 2.080 20 30 DEEDRP C#CCNCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC001357365610 1152293151 /nfs/dbraw/zinc/29/31/51/1152293151.db2.gz AYSKMVJJAFDFJK-UHFFFAOYSA-N 2 0 308.385 2.048 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCCC2)cc1OC ZINC000264153351 533987985 /nfs/dbraw/zinc/98/79/85/533987985.db2.gz ZWZKYOOLCYAXRE-UHFFFAOYSA-N 2 0 320.437 2.305 20 30 DEEDRP CC(C)(C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262550070 526282878 /nfs/dbraw/zinc/28/28/78/526282878.db2.gz XLBJCSHAGSUXDB-UHFFFAOYSA-N 2 0 312.527 2.441 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](CC(C)C)C1 ZINC000262471504 526371196 /nfs/dbraw/zinc/37/11/96/526371196.db2.gz OZPOKIXUWUCWHV-HOTGVXAUSA-N 2 0 306.498 2.414 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000267855298 527713190 /nfs/dbraw/zinc/71/31/90/527713190.db2.gz MMJPSQYIRIOHCX-INIZCTEOSA-N 2 0 306.454 2.387 20 30 DEEDRP CCCNC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000264059929 528161962 /nfs/dbraw/zinc/16/19/62/528161962.db2.gz CMFFONYKTZNYPE-HUUCEWRRSA-N 2 0 318.465 2.110 20 30 DEEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000267448658 529008879 /nfs/dbraw/zinc/00/88/79/529008879.db2.gz QTONVUZGVRKGQO-AWEZNQCLSA-N 2 0 320.437 2.305 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1coc2ccccc12 ZINC000262382648 529101459 /nfs/dbraw/zinc/10/14/59/529101459.db2.gz KRDJAZQUJYJIFD-AWEZNQCLSA-N 2 0 300.406 2.321 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000449745324 535674586 /nfs/dbraw/zinc/67/45/86/535674586.db2.gz MUZRKISKVBQJSM-UHFFFAOYSA-N 2 0 318.440 2.203 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2C#N)CC1 ZINC000449748133 535675075 /nfs/dbraw/zinc/67/50/75/535675075.db2.gz ZVDPQTAEOMPUOM-UHFFFAOYSA-N 2 0 300.450 2.064 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001379380528 1152617093 /nfs/dbraw/zinc/61/70/93/1152617093.db2.gz FDSBHLIHOGDFDO-HIFRSBDPSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001026301633 625279749 /nfs/dbraw/zinc/27/97/49/625279749.db2.gz BHSLTQZJVMDYHS-GVDBMIGSSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]12 ZINC001026327769 625306389 /nfs/dbraw/zinc/30/63/89/625306389.db2.gz BIVXBKGTAIVDJO-IXDOHACOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001025253905 625309025 /nfs/dbraw/zinc/30/90/25/625309025.db2.gz YGEXKWPOHQQKBJ-DLBZAZTESA-N 2 0 316.449 2.223 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293756 625327468 /nfs/dbraw/zinc/32/74/68/625327468.db2.gz FVOPLHJBCZENEH-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972609586 625354162 /nfs/dbraw/zinc/35/41/62/625354162.db2.gz BTSPWDWXUDDGBV-OAHLLOKOSA-N 2 0 313.873 2.004 20 30 DEEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632930 625365031 /nfs/dbraw/zinc/36/50/31/625365031.db2.gz RXEXBWROXDAGKX-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475145 625467345 /nfs/dbraw/zinc/46/73/45/625467345.db2.gz RRQJUCWUCYICBO-NVXWUHKLSA-N 2 0 324.428 2.188 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486835 625478399 /nfs/dbraw/zinc/47/83/99/625478399.db2.gz XOUMGKLIJKURNF-HZPDHXFCSA-N 2 0 324.428 2.188 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486952 625478669 /nfs/dbraw/zinc/47/86/69/625478669.db2.gz YOFLHRCVBGMBPU-JKSUJKDBSA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001026503431 625485988 /nfs/dbraw/zinc/48/59/88/625485988.db2.gz VAJFLWLZSIPFAN-OFLPRAFFSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020675728 623057024 /nfs/dbraw/zinc/05/70/24/623057024.db2.gz COWGILAESLZFBS-RBSFLKMASA-N 2 0 313.873 2.239 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970177587 623281625 /nfs/dbraw/zinc/28/16/25/623281625.db2.gz YZTRQNMLDQHCLW-CABCVRRESA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970592706 623564043 /nfs/dbraw/zinc/56/40/43/623564043.db2.gz DJRRQLVDSXUAES-HNNXBMFYSA-N 2 0 315.461 2.374 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)c1 ZINC000104153659 624782750 /nfs/dbraw/zinc/78/27/50/624782750.db2.gz JKMJRONAKAWFSN-UHFFFAOYSA-N 2 0 308.426 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001022921716 625100068 /nfs/dbraw/zinc/10/00/68/625100068.db2.gz KXIYWZCZEMMGBY-GASCZTMLSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023449938 625272903 /nfs/dbraw/zinc/27/29/03/625272903.db2.gz CAYBPIFCDFFYIJ-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615270 625863673 /nfs/dbraw/zinc/86/36/73/625863673.db2.gz HBSWICWKWCJMDU-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999154308 634500850 /nfs/dbraw/zinc/50/08/50/634500850.db2.gz TWVMGGLRFYGKDH-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999346313 634567826 /nfs/dbraw/zinc/56/78/26/634567826.db2.gz DEKLDKMVXGDXTN-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000921686042 634651457 /nfs/dbraw/zinc/65/14/57/634651457.db2.gz MXVPDHGIYVOFBV-HNNXBMFYSA-N 2 0 314.477 2.148 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794850 634677958 /nfs/dbraw/zinc/67/79/58/634677958.db2.gz WJNZPRABNHYBDW-IRXDYDNUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995997758 633158803 /nfs/dbraw/zinc/15/88/03/633158803.db2.gz QIDBRXJIANFUIQ-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC000996168686 633206602 /nfs/dbraw/zinc/20/66/02/633206602.db2.gz KQPRXIFCCCUVKC-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996299936 633231996 /nfs/dbraw/zinc/23/19/96/633231996.db2.gz HCGYAGWJSVEPGT-KGLIPLIRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996378068 633250442 /nfs/dbraw/zinc/25/04/42/633250442.db2.gz DFRKXCYJXMIYDW-CVEARBPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974766930 633293915 /nfs/dbraw/zinc/29/39/15/633293915.db2.gz LGNMPHPMVAPYCJ-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974769680 633295213 /nfs/dbraw/zinc/29/52/13/633295213.db2.gz AKMKUZWXJWKZCC-MRXNPFEDSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997367075 633717269 /nfs/dbraw/zinc/71/72/69/633717269.db2.gz JIWRPABALDNPDB-UHFFFAOYSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027448375 633801162 /nfs/dbraw/zinc/80/11/62/633801162.db2.gz IDPSMKFMTDLAPA-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997733767 633955853 /nfs/dbraw/zinc/95/58/53/633955853.db2.gz CVOJPYZBGIGAOG-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997786550 633975618 /nfs/dbraw/zinc/97/56/18/633975618.db2.gz LOHZFNHCJYGFQB-FUHWJXTLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997951775 634074003 /nfs/dbraw/zinc/07/40/03/634074003.db2.gz ZSOCWYRHGONGPP-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000104178860 634261455 /nfs/dbraw/zinc/26/14/55/634261455.db2.gz PGJYBUSEDHSFPI-GJZGRUSLSA-N 2 0 312.502 2.074 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886014 634873601 /nfs/dbraw/zinc/87/36/01/634873601.db2.gz MQKDOWWEURKZMB-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980187059 634884330 /nfs/dbraw/zinc/88/43/30/634884330.db2.gz QFPFZLQERNPOEY-BZSNNMDCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925538 634982060 /nfs/dbraw/zinc/98/20/60/634982060.db2.gz UBDKTIULJJVTDB-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000680348 635274650 /nfs/dbraw/zinc/27/46/50/635274650.db2.gz UVNDXMNJWCEXAB-KRWDZBQOSA-N 2 0 305.466 2.184 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001000757373 635298906 /nfs/dbraw/zinc/29/89/06/635298906.db2.gz NBAPIAGYXBMITG-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839364 635318841 /nfs/dbraw/zinc/31/88/41/635318841.db2.gz DUWVBXNUCZNXEO-MSOLQXFVSA-N 2 0 317.477 2.328 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000981543993 635516608 /nfs/dbraw/zinc/51/66/08/635516608.db2.gz QMKXVXYGSWJHBZ-UHFFFAOYSA-N 2 0 305.466 2.115 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000981535888 635520538 /nfs/dbraw/zinc/52/05/38/635520538.db2.gz WSHQSIOHAYIGRS-MSOLQXFVSA-N 2 0 313.445 2.012 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981557487 635526603 /nfs/dbraw/zinc/52/66/03/635526603.db2.gz XPBUNPIPQBGBNV-UHFFFAOYSA-N 2 0 312.417 2.448 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001751718 635549135 /nfs/dbraw/zinc/54/91/35/635549135.db2.gz NNYUBKHGUSBENE-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001922751 635577788 /nfs/dbraw/zinc/57/77/88/635577788.db2.gz AJQXGBVNHFKGKF-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981870867 635703733 /nfs/dbraw/zinc/70/37/33/635703733.db2.gz DTLOARYVOCYCQF-UHFFFAOYSA-N 2 0 317.477 2.115 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181321 635781634 /nfs/dbraw/zinc/78/16/34/635781634.db2.gz RDCJWTKIEFQEBZ-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001003736432 636042212 /nfs/dbraw/zinc/04/22/12/636042212.db2.gz RMWLDHFPTYJKJX-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP 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 636384207 /nfs/dbraw/zinc/38/42/07/636384207.db2.gz HOLHBWNZWPIGJK-QRQLOZEOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594445 636463092 /nfs/dbraw/zinc/46/30/92/636463092.db2.gz GZOHPFMJBIBSPH-NVXWUHKLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644451 636525331 /nfs/dbraw/zinc/52/53/31/636525331.db2.gz CTVCNKXYNYSPOV-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCSC(C)(C)C1 ZINC000261805516 636532412 /nfs/dbraw/zinc/53/24/12/636532412.db2.gz HGUHIGDTYYFDDA-AWEZNQCLSA-N 2 0 312.527 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662991 636552643 /nfs/dbraw/zinc/55/26/43/636552643.db2.gz VIZSUTFXFSMWPL-CALCHBBNSA-N 2 0 324.428 2.304 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001005478075 636746974 /nfs/dbraw/zinc/74/69/74/636746974.db2.gz VKOSIJMLSRWPSF-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870783 636802170 /nfs/dbraw/zinc/80/21/70/636802170.db2.gz VXFBAYVGJOHHFE-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006283184 637322212 /nfs/dbraw/zinc/32/22/12/637322212.db2.gz JSDOYWVYOAMCKW-RDJZCZTQSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985750507 639614442 /nfs/dbraw/zinc/61/44/42/639614442.db2.gz GNHFEWVKEURRND-RDJZCZTQSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CCN1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192260 639797024 /nfs/dbraw/zinc/79/70/24/639797024.db2.gz DXTYUCYICQRTHW-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000987330814 640168469 /nfs/dbraw/zinc/16/84/69/640168469.db2.gz VSUBHPMOLCZGPB-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000763962335 640589025 /nfs/dbraw/zinc/58/90/25/640589025.db2.gz JTZADVXMFAWBDX-UHFFFAOYSA-N 2 0 303.450 2.262 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000763968133 640590145 /nfs/dbraw/zinc/59/01/45/640590145.db2.gz AEYHCDODKNNUGB-UHFFFAOYSA-N 2 0 303.450 2.262 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990694025 641607335 /nfs/dbraw/zinc/60/73/35/641607335.db2.gz ZOWYOPIPQNHAFZ-ZIFCJYIRSA-N 2 0 317.477 2.018 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792887 642095318 /nfs/dbraw/zinc/09/53/18/642095318.db2.gz WHIGLMIQJDRRAO-YFHUEUNASA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901075656 642561512 /nfs/dbraw/zinc/56/15/12/642561512.db2.gz MNVMGVCFEZIFRR-GOSISDBHSA-N 2 0 315.461 2.227 20 30 DEEDRP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902813987 643155509 /nfs/dbraw/zinc/15/55/09/643155509.db2.gz KYEBYLVTKZZMIY-DLBZAZTESA-N 2 0 310.482 2.327 20 30 DEEDRP C=CC[N@H+](CCc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725865 643440828 /nfs/dbraw/zinc/44/08/28/643440828.db2.gz INAATVUHDVCHIO-RBUKOAKNSA-N 2 0 300.446 2.486 20 30 DEEDRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]1 ZINC000903988825 643541454 /nfs/dbraw/zinc/54/14/54/643541454.db2.gz XYNQMFUSZCMNDQ-HLLBOEOZSA-N 2 0 313.449 2.218 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000843813756 651034092 /nfs/dbraw/zinc/03/40/92/651034092.db2.gz FSOTUYBMKDEYLH-MAUKXSAKSA-N 2 0 315.461 2.131 20 30 DEEDRP CCC(CC)[C@H](CNC(=[NH2+])NCc1ccccc1OC)[NH+](C)C ZINC000170910429 646674626 /nfs/dbraw/zinc/67/46/26/646674626.db2.gz ZSVIVQXPSGVVSD-INIZCTEOSA-N 2 0 320.481 2.466 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)s1 ZINC000170905947 646674964 /nfs/dbraw/zinc/67/49/64/646674964.db2.gz PZVNMNGEHPXLJX-SNVBAGLBSA-N 2 0 300.859 2.290 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829233 646696005 /nfs/dbraw/zinc/69/60/05/646696005.db2.gz HHTMKRYVUXVZNB-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000171411990 646699490 /nfs/dbraw/zinc/69/94/90/646699490.db2.gz MARQKPKLHRLZDT-OAHLLOKOSA-N 2 0 306.454 2.455 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992120364 646861329 /nfs/dbraw/zinc/86/13/29/646861329.db2.gz BMMJVDYTQGTTRM-BMFAXAFESA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000913757046 647033320 /nfs/dbraw/zinc/03/33/20/647033320.db2.gz JOECCRQHRLEAEO-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC000992734800 647202544 /nfs/dbraw/zinc/20/25/44/647202544.db2.gz BJJFCJKHTDZHCC-CGTJXYLNSA-N 2 0 324.428 2.351 20 30 DEEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000818612248 647488351 /nfs/dbraw/zinc/48/83/51/647488351.db2.gz PVRVJYPEXHZYPT-SFHVURJKSA-N 2 0 315.461 2.141 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993546383 647693962 /nfs/dbraw/zinc/69/39/62/647693962.db2.gz KDVBWKBANBEOQI-RHSMWYFYSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842446 648954907 /nfs/dbraw/zinc/95/49/07/648954907.db2.gz GYKLSMAMNGWWRV-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000941076280 648994809 /nfs/dbraw/zinc/99/48/09/648994809.db2.gz VIOWICYQXCATQZ-IRXDYDNUSA-N 2 0 319.493 2.099 20 30 DEEDRP CN(C)C(NCc1ccccc1)=[NH+]CC1(C)CC[NH+](C)CC1 ZINC000849016563 651583885 /nfs/dbraw/zinc/58/38/85/651583885.db2.gz RRUHATXSKDYNMZ-UHFFFAOYSA-N 2 0 302.466 2.426 20 30 DEEDRP N#CC1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000849025679 651587438 /nfs/dbraw/zinc/58/74/38/651587438.db2.gz AZAZUJJTLGFLJF-UHFFFAOYSA-N 2 0 311.433 2.069 20 30 DEEDRP C#CCOCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000851933216 652285545 /nfs/dbraw/zinc/28/55/45/652285545.db2.gz OXDATOBYPQFMEF-IAGOWNOFSA-N 2 0 300.446 2.382 20 30 DEEDRP CCCCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000304753878 685260030 /nfs/dbraw/zinc/26/00/30/685260030.db2.gz LLPZVZCFQRWUJV-UHFFFAOYSA-N 2 0 312.527 2.443 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000304761764 685260041 /nfs/dbraw/zinc/26/00/41/685260041.db2.gz UVDFYMARFXRHQO-OAHLLOKOSA-N 2 0 314.433 2.364 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000304762420 685260897 /nfs/dbraw/zinc/26/08/97/685260897.db2.gz VRNBLHUMJRKYBT-NSHDSACASA-N 2 0 310.829 2.417 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001394513912 1158602657 /nfs/dbraw/zinc/60/26/57/1158602657.db2.gz BGBGWRITJDEIET-CABCVRRESA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054135303 693859383 /nfs/dbraw/zinc/85/93/83/693859383.db2.gz ZAFGTHCJUJVKQP-ZHALLVOQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054141552 693861066 /nfs/dbraw/zinc/86/10/66/693861066.db2.gz MGYLTLBJXZLASV-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP [NH2+]=C(NCCC[NH+]1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303780538 685234651 /nfs/dbraw/zinc/23/46/51/685234651.db2.gz LOBKXFYJFXGZGG-UHFFFAOYSA-N 2 0 318.421 2.060 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cc(C)cc(C)c1 ZINC000303873843 685236761 /nfs/dbraw/zinc/23/67/61/685236761.db2.gz GXNAPLUWLFBWQD-MRXNPFEDSA-N 2 0 318.465 2.071 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1c(C)cccc1C ZINC000303894020 685238879 /nfs/dbraw/zinc/23/88/79/685238879.db2.gz SHWCCNKOJJWQDC-MRXNPFEDSA-N 2 0 318.465 2.071 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016322810 687591389 /nfs/dbraw/zinc/59/13/89/687591389.db2.gz LRRCFSQVRYWKFI-KRWDZBQOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016332247 687595091 /nfs/dbraw/zinc/59/50/91/687595091.db2.gz DKGQDXRWORRMPW-MRXNPFEDSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016820898 687709632 /nfs/dbraw/zinc/70/96/32/687709632.db2.gz WHSAVEPGPOIVKC-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016974578 687746755 /nfs/dbraw/zinc/74/67/55/687746755.db2.gz LSAPTIBLGUNTMB-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176365 688071984 /nfs/dbraw/zinc/07/19/84/688071984.db2.gz HVYJAHMYICZMRI-XLAORIBOSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001019279564 688318410 /nfs/dbraw/zinc/31/84/10/688318410.db2.gz IABONVHVJZIGSO-RDJZCZTQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031875611 689012828 /nfs/dbraw/zinc/01/28/28/689012828.db2.gz VINBXHXYJVKNOL-UHFFFAOYSA-N 2 0 315.461 2.028 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032499520 689168447 /nfs/dbraw/zinc/16/84/47/689168447.db2.gz BGJWNRKXHUHTLY-IRXDYDNUSA-N 2 0 310.401 2.199 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032665050 689217454 /nfs/dbraw/zinc/21/74/54/689217454.db2.gz XSIFJZGVPSZAGK-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803603 689264419 /nfs/dbraw/zinc/26/44/19/689264419.db2.gz GCJDXWILEMOVIF-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466014 689511311 /nfs/dbraw/zinc/51/13/11/689511311.db2.gz BNUVRYXPRKKONL-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533277 689534515 /nfs/dbraw/zinc/53/45/15/689534515.db2.gz YCZOMNZEBSMPSB-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533276 689534799 /nfs/dbraw/zinc/53/47/99/689534799.db2.gz YCZOMNZEBSMPSB-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684355 689583120 /nfs/dbraw/zinc/58/31/20/689583120.db2.gz NMWAIVQETNHUNA-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339436 689814365 /nfs/dbraw/zinc/81/43/65/689814365.db2.gz FRSJCFBFJGNWPW-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397740 689835741 /nfs/dbraw/zinc/83/57/41/689835741.db2.gz LCKGMJUCXVNTPS-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034440033 689850789 /nfs/dbraw/zinc/85/07/89/689850789.db2.gz YMKJUUDKZRXKIW-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486775 689869517 /nfs/dbraw/zinc/86/95/17/689869517.db2.gz LVCPHFBOFCWNBN-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001034676398 689924984 /nfs/dbraw/zinc/92/49/84/689924984.db2.gz YIDYTARQWCWKKD-VQHPVUNQSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCC[NH2+]1 ZINC000877192864 690042465 /nfs/dbraw/zinc/04/24/65/690042465.db2.gz RRNXBYZYOIAJDH-SFHVURJKSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035194261 690056333 /nfs/dbraw/zinc/05/63/33/690056333.db2.gz XYAOPHSCSBHVMD-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035226707 690066056 /nfs/dbraw/zinc/06/60/56/690066056.db2.gz KOQUOWLBCKCLTL-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP COCC[N@@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000877665117 690182777 /nfs/dbraw/zinc/18/27/77/690182777.db2.gz HVVVOQJCDUEKQR-UHFFFAOYSA-N 2 0 301.434 2.348 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001036090623 690258092 /nfs/dbraw/zinc/25/80/92/690258092.db2.gz IQEGEVCSDLESLH-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001036269190 690306349 /nfs/dbraw/zinc/30/63/49/690306349.db2.gz ZUIQWFSMMRSPEK-QAPCUYQASA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759882 690462555 /nfs/dbraw/zinc/46/25/55/690462555.db2.gz RWYNTHGSHVLCTQ-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247448 690602553 /nfs/dbraw/zinc/60/25/53/690602553.db2.gz APJJKGSFZHAIDN-QGZVFWFLSA-N 2 0 319.493 2.383 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159426 691035479 /nfs/dbraw/zinc/03/54/79/691035479.db2.gz NGYKCYSGTBCILK-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039244316 691066586 /nfs/dbraw/zinc/06/65/86/691066586.db2.gz XRBCWVHIWYIBNH-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039321846 691081363 /nfs/dbraw/zinc/08/13/63/691081363.db2.gz UEJPJRPOQTZXHG-MGNMYUMUSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354030 691234254 /nfs/dbraw/zinc/23/42/54/691234254.db2.gz LEMLIVICYFCOEM-JENIJYKNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040394151 691241432 /nfs/dbraw/zinc/24/14/32/691241432.db2.gz IQYBGZBJDPZCER-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040396975 691242566 /nfs/dbraw/zinc/24/25/66/691242566.db2.gz XLMSIGXEFNGWEQ-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040493264 691256170 /nfs/dbraw/zinc/25/61/70/691256170.db2.gz JFISKPRXGXGSCG-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040730449 691282746 /nfs/dbraw/zinc/28/27/46/691282746.db2.gz UUFZYNQAFPUYHU-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040820985 691290162 /nfs/dbraw/zinc/29/01/62/691290162.db2.gz ATKMNYIYTRPDBY-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041340760 691363848 /nfs/dbraw/zinc/36/38/48/691363848.db2.gz YMVCEUBOSAEFKC-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000883171295 691447192 /nfs/dbraw/zinc/44/71/92/691447192.db2.gz URXHFYUXFZUEEX-ROUUACIJSA-N 2 0 309.498 2.116 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234954 691542674 /nfs/dbraw/zinc/54/26/74/691542674.db2.gz PVBZUDKORXIUEC-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001045492631 691988880 /nfs/dbraw/zinc/98/88/80/691988880.db2.gz KXPBAHPQZIFBHB-UHFFFAOYSA-N 2 0 312.417 2.495 20 30 DEEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000886080701 691999698 /nfs/dbraw/zinc/99/96/98/691999698.db2.gz FXSXWPFMMHNJGJ-NJAFHUGGSA-N 2 0 317.477 2.380 20 30 DEEDRP C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000886316758 692054172 /nfs/dbraw/zinc/05/41/72/692054172.db2.gz LWUBRPAXGQGWCN-WBVHZDCISA-N 2 0 314.433 2.037 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045964913 692064654 /nfs/dbraw/zinc/06/46/54/692064654.db2.gz AATIADUROXHAKG-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045966271 692064755 /nfs/dbraw/zinc/06/47/55/692064755.db2.gz SMKHZXBJXOTLKB-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000887136479 692289611 /nfs/dbraw/zinc/28/96/11/692289611.db2.gz UZKDEVFBNYVBDB-NVXWUHKLSA-N 2 0 314.433 2.037 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048817264 692703279 /nfs/dbraw/zinc/70/32/79/692703279.db2.gz LSRBTNFBZKYYJU-KSZLIROESA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516621 692908222 /nfs/dbraw/zinc/90/82/22/692908222.db2.gz DTKUXTVKKBUBCM-CVEARBPZSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566931 692923613 /nfs/dbraw/zinc/92/36/13/692923613.db2.gz HFBNGPJGLFLYLH-DLBZAZTESA-N 2 0 317.477 2.256 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595042 692935711 /nfs/dbraw/zinc/93/57/11/692935711.db2.gz RJANZZREHNCGPR-ZWKOTPCHSA-N 2 0 322.412 2.037 20 30 DEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)CC2 ZINC000925847844 693352688 /nfs/dbraw/zinc/35/26/88/693352688.db2.gz WFBBTLZLONKDIM-LJQANCHMSA-N 2 0 312.461 2.211 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513869 693553777 /nfs/dbraw/zinc/55/37/77/693553777.db2.gz JXJVNCUJMKTURM-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001332143604 1149825173 /nfs/dbraw/zinc/82/51/73/1149825173.db2.gz BOGXPGOBWNLGNY-BRWVUGGUSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001332272974 1149843179 /nfs/dbraw/zinc/84/31/79/1149843179.db2.gz UIAOGWDMNKECGP-UKRRQHHQSA-N 2 0 321.490 2.484 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001480076881 1151551661 /nfs/dbraw/zinc/55/16/61/1151551661.db2.gz GCSUFKAZBXUBAZ-FGTMMUONSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001380837100 1152863020 /nfs/dbraw/zinc/86/30/20/1152863020.db2.gz DHNHKXYVBNEYDJ-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)CN(CCNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001372816849 1156801590 /nfs/dbraw/zinc/80/15/90/1156801590.db2.gz CZDLMGISQGFPES-OAHLLOKOSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001392197061 1156888401 /nfs/dbraw/zinc/88/84/01/1156888401.db2.gz VDZGLTXMCWDRLP-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001374433314 1157854377 /nfs/dbraw/zinc/85/43/77/1157854377.db2.gz CHAZOEJCUHJKES-ZIAGYGMSSA-N 2 0 303.878 2.056 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001394376316 1158446026 /nfs/dbraw/zinc/44/60/26/1158446026.db2.gz SFUMHQOYYJYJMV-HDJSIYSDSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)CN(C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001394800034 1158782671 /nfs/dbraw/zinc/78/26/71/1158782671.db2.gz BYUWZJZIBHFHHA-AWEZNQCLSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001405370367 1164065991 /nfs/dbraw/zinc/06/59/91/1164065991.db2.gz NIZDKVVPDYQLTH-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001418314822 1167570996 /nfs/dbraw/zinc/57/09/96/1167570996.db2.gz BIJSVUYMAQKTPK-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001420025470 1169076562 /nfs/dbraw/zinc/07/65/62/1169076562.db2.gz RPTDYIATDKYYNW-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001421421565 1171788182 /nfs/dbraw/zinc/78/81/82/1171788182.db2.gz QLCNMOYLBYHWLP-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001422899355 1172905364 /nfs/dbraw/zinc/90/53/64/1172905364.db2.gz IEENMZBJNKLTJQ-KKUMJFAQSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001425163497 1174202207 /nfs/dbraw/zinc/20/22/07/1174202207.db2.gz DWXURDVPFDDASQ-CQSZACIVSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001425436819 1174320228 /nfs/dbraw/zinc/32/02/28/1174320228.db2.gz ORMFVQONEUOMLZ-UHFFFAOYSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001438398824 1180392529 /nfs/dbraw/zinc/39/25/29/1180392529.db2.gz CCWHWXXXSMRLQV-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001440856070 1181731338 /nfs/dbraw/zinc/73/13/38/1181731338.db2.gz ASHGFEZIHFNFMF-NRXISQOPSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001442757423 1182689937 /nfs/dbraw/zinc/68/99/37/1182689937.db2.gz QCTRVEFHICKJFP-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001332804069 1149893979 /nfs/dbraw/zinc/89/39/79/1149893979.db2.gz ANWFPJCBYXHVTC-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001332804067 1149894048 /nfs/dbraw/zinc/89/40/48/1149894048.db2.gz ANWFPJCBYXHVTC-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964046 779575550 /nfs/dbraw/zinc/57/55/50/779575550.db2.gz UJIWYMLPCVKRTI-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106472103 782731101 /nfs/dbraw/zinc/73/11/01/782731101.db2.gz PRSFWLUANBADQR-NXHRZFHOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106635310 782823744 /nfs/dbraw/zinc/82/37/44/782823744.db2.gz XJVZOCKMJUHNOY-BPLDGKMQSA-N 2 0 315.889 2.009 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536257 783189051 /nfs/dbraw/zinc/18/90/51/783189051.db2.gz ANHFELMVAHAGSL-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540465 783191194 /nfs/dbraw/zinc/19/11/94/783191194.db2.gz VVPJFTAIOLDTDQ-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001136800137 790469729 /nfs/dbraw/zinc/46/97/29/790469729.db2.gz NGZTUGSLVBDXOP-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)Cn2ccnc2C(C)C)CC1 ZINC001167351854 776941629 /nfs/dbraw/zinc/94/16/29/776941629.db2.gz PIQJFDQWQGAGBW-UHFFFAOYSA-N 2 0 318.465 2.459 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001167471088 777121475 /nfs/dbraw/zinc/12/14/75/777121475.db2.gz SVFKWAGVJLSRAO-UHFFFAOYSA-N 2 0 321.509 2.398 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421504 777362256 /nfs/dbraw/zinc/36/22/56/777362256.db2.gz XKKDRZJUQIREPZ-HZPDHXFCSA-N 2 0 324.428 2.045 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690337 778025455 /nfs/dbraw/zinc/02/54/55/778025455.db2.gz FEFQJUMBOHTCHG-ZACQAIPSSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001112529513 778606798 /nfs/dbraw/zinc/60/67/98/778606798.db2.gz CSKLLODKRXNKCR-AOIWGVFYSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCCCCC ZINC001114982038 778673632 /nfs/dbraw/zinc/67/36/32/778673632.db2.gz GZYULEVKDNWKGL-VQFNDLOPSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578899 779362873 /nfs/dbraw/zinc/36/28/73/779362873.db2.gz WCAQKGKTFLHSBT-MWDXBVQZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840658 779479124 /nfs/dbraw/zinc/47/91/24/779479124.db2.gz IHEJWRMFGLXQQE-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP 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 779626605 /nfs/dbraw/zinc/62/66/05/779626605.db2.gz FZZKQGWICOVFQE-SQNIBIBYSA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568022 779919088 /nfs/dbraw/zinc/91/90/88/779919088.db2.gz CQQBZLXLWNKHDF-UHFFFAOYSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621346 780659623 /nfs/dbraw/zinc/65/96/23/780659623.db2.gz ADIDSLUJYRFRFJ-ZACQAIPSSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621730 780660961 /nfs/dbraw/zinc/66/09/61/780660961.db2.gz QLDFWJKIGPVPGD-ZACQAIPSSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001091026540 790838264 /nfs/dbraw/zinc/83/82/64/790838264.db2.gz PMUZJRBHZPVJQY-YMAMQOFZSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770328 780970389 /nfs/dbraw/zinc/97/03/89/780970389.db2.gz IZVRIWDDVCVRKY-NJAFHUGGSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001091068579 790889821 /nfs/dbraw/zinc/88/98/21/790889821.db2.gz VBYMGKVYFTTXSV-DQPZFDDXSA-N 2 0 305.466 2.064 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948589578 783514170 /nfs/dbraw/zinc/51/41/70/783514170.db2.gz CPRQXFGUXYCVJU-KRWDZBQOSA-N 2 0 324.428 2.284 20 30 DEEDRP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171198867 790953085 /nfs/dbraw/zinc/95/30/85/790953085.db2.gz RUBQWUHNCHUAJD-HNNXBMFYSA-N 2 0 301.434 2.319 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967208219 783905565 /nfs/dbraw/zinc/90/55/65/783905565.db2.gz RNZCHWDPLJQTPJ-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917774 784212777 /nfs/dbraw/zinc/21/27/77/784212777.db2.gz KGMMVHLGMPEYCB-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086133978 784429091 /nfs/dbraw/zinc/42/90/91/784429091.db2.gz MMVDKIURUHHPOQ-BBWFWOEESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516439 784439418 /nfs/dbraw/zinc/43/94/18/784439418.db2.gz AZAWMPSCSJMXFH-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924881 784536571 /nfs/dbraw/zinc/53/65/71/784536571.db2.gz KHGKKSHVMFEWKQ-NWGLXNPWSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086381736 784634276 /nfs/dbraw/zinc/63/42/76/784634276.db2.gz GNZSADUMJSMAIX-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086502811 784797920 /nfs/dbraw/zinc/79/79/20/784797920.db2.gz PCAMXUOMBQXQDL-VQHPVUNQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171237520 791087263 /nfs/dbraw/zinc/08/72/63/791087263.db2.gz QOMUATMQDJHOIE-AWEZNQCLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108794152 785540688 /nfs/dbraw/zinc/54/06/88/785540688.db2.gz PHYKIERNBUSCHQ-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171253414 791145292 /nfs/dbraw/zinc/14/52/92/791145292.db2.gz CUQZNSKVMKJZGB-IRXDYDNUSA-N 2 0 307.482 2.147 20 30 DEEDRP 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 785869912 /nfs/dbraw/zinc/86/99/12/785869912.db2.gz WAJXZUMHMMONHK-QZWWFDLISA-N 2 0 307.482 2.260 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001112563178 786159204 /nfs/dbraw/zinc/15/92/04/786159204.db2.gz JINAYRHWILXQIJ-KSSFIOAISA-N 2 0 316.449 2.092 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086557310 786216615 /nfs/dbraw/zinc/21/66/15/786216615.db2.gz IUAUUYZERNEPEG-JCNLHEQBSA-N 2 0 301.434 2.032 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001113008492 786358150 /nfs/dbraw/zinc/35/81/50/786358150.db2.gz RUZLVYOIOIKPGH-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113049424 786381751 /nfs/dbraw/zinc/38/17/51/786381751.db2.gz OPORFHFFKRNPEL-UHFFFAOYSA-N 2 0 316.449 2.018 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001113346253 786538851 /nfs/dbraw/zinc/53/88/51/786538851.db2.gz SWWAYYFTOUWXID-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014723856 786724040 /nfs/dbraw/zinc/72/40/40/786724040.db2.gz RQYVKUMNDNCYHT-NVXWUHKLSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015030802 786870541 /nfs/dbraw/zinc/87/05/41/786870541.db2.gz AETKHISBCUKIEJ-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597479 787131222 /nfs/dbraw/zinc/13/12/22/787131222.db2.gz SDOWFUUFVOXOTR-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096238063 787593250 /nfs/dbraw/zinc/59/32/50/787593250.db2.gz QRVVJNUIKLEGNR-IKGGRYGDSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105897 787931896 /nfs/dbraw/zinc/93/18/96/787931896.db2.gz OELPGCPWBMRWEF-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)CN1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409981 788062999 /nfs/dbraw/zinc/06/29/99/788062999.db2.gz IAYWAFLXARGOLR-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001133176992 788306885 /nfs/dbraw/zinc/30/68/85/788306885.db2.gz BTMPPEHHSZNKOV-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133337364 788371175 /nfs/dbraw/zinc/37/11/75/788371175.db2.gz MQYXCDVKYKHJCR-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086710067 788548111 /nfs/dbraw/zinc/54/81/11/788548111.db2.gz IBEKIKGWFJUDGP-DZGCQCFKSA-N 2 0 321.490 2.484 20 30 DEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126314 788774277 /nfs/dbraw/zinc/77/42/77/788774277.db2.gz KRPRFWVNECSXHB-MSOLQXFVSA-N 2 0 315.461 2.004 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369907 788900562 /nfs/dbraw/zinc/90/05/62/788900562.db2.gz USLJCTUUHJXSNB-HOTGVXAUSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134520316 788962135 /nfs/dbraw/zinc/96/21/35/788962135.db2.gz OVQNMSFMAWRGLF-KBPBESRZSA-N 2 0 321.490 2.320 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001170769684 789064196 /nfs/dbraw/zinc/06/41/96/789064196.db2.gz MASJEQBQGZZGME-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001170816357 789352369 /nfs/dbraw/zinc/35/23/69/789352369.db2.gz DAOVHFVXWHUIBN-DOTOQJQBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135470820 789356595 /nfs/dbraw/zinc/35/65/95/789356595.db2.gz CHQAXRWSNMZMLC-JKSUJKDBSA-N 2 0 317.477 2.463 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135467475 789356649 /nfs/dbraw/zinc/35/66/49/789356649.db2.gz GKKPIKUXURTJGQ-ZIAGYGMSSA-N 2 0 315.889 2.344 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824070 789512693 /nfs/dbraw/zinc/51/26/93/789512693.db2.gz MKWHXCAVHFWSHV-JKSUJKDBSA-N 2 0 307.482 2.003 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824067 789513170 /nfs/dbraw/zinc/51/31/70/789513170.db2.gz MKWHXCAVHFWSHV-CVEARBPZSA-N 2 0 307.482 2.003 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135827436 789515193 /nfs/dbraw/zinc/51/51/93/789515193.db2.gz WOEMURFAFNJTFY-HOTGVXAUSA-N 2 0 307.482 2.003 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](CCC)CCC ZINC001135906117 789556150 /nfs/dbraw/zinc/55/61/50/789556150.db2.gz ZRSFMQWQUVWEIP-DLBZAZTESA-N 2 0 309.498 2.395 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086819992 789643214 /nfs/dbraw/zinc/64/32/14/789643214.db2.gz KVASLPCTOQMSPA-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507830 789747631 /nfs/dbraw/zinc/74/76/31/789747631.db2.gz CGGLHWBHYRTJKC-SJORKVTESA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507829 789747680 /nfs/dbraw/zinc/74/76/80/789747680.db2.gz CGGLHWBHYRTJKC-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072731551 790232213 /nfs/dbraw/zinc/23/22/13/790232213.db2.gz GIOAQWJWKVJQDY-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072735430 790233181 /nfs/dbraw/zinc/23/31/81/790233181.db2.gz BILQGSRBRPMHBH-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001074653128 791259805 /nfs/dbraw/zinc/25/98/05/791259805.db2.gz ZSGCTRUYEFJILP-BQFCYCMXSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146625546 791325356 /nfs/dbraw/zinc/32/53/56/791325356.db2.gz YUOWATLDQQVWKM-CABCVRRESA-N 2 0 303.450 2.421 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146702435 791335891 /nfs/dbraw/zinc/33/58/91/791335891.db2.gz WNQKXUMSAGEWRO-GJZGRUSLSA-N 2 0 319.449 2.241 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725724 791607726 /nfs/dbraw/zinc/60/77/26/791607726.db2.gz YZFQKLOYLHTSPT-DOTOQJQBSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687130 791706557 /nfs/dbraw/zinc/70/65/57/791706557.db2.gz RCKKCWFIHYTVEP-NTDBWNAOSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001098846253 791961221 /nfs/dbraw/zinc/96/12/21/791961221.db2.gz AYWFMFDHOZZOEA-BMFAXAFESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098873286 791971264 /nfs/dbraw/zinc/97/12/64/791971264.db2.gz LSRJVBCWHBNUMK-AOIWGVFYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092602982 792080946 /nfs/dbraw/zinc/08/09/46/792080946.db2.gz PNSKMOOWWMPCLD-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001099122449 792104953 /nfs/dbraw/zinc/10/49/53/792104953.db2.gz UFQKIKCYDMHCLR-AOIWGVFYSA-N 2 0 319.493 2.265 20 30 DEEDRP 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 792230874 /nfs/dbraw/zinc/23/08/74/792230874.db2.gz SRIFHSXJSVPXLO-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099544725 792236069 /nfs/dbraw/zinc/23/60/69/792236069.db2.gz UGPLKCFHGSMCHL-FJIDUMEYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403789 792632333 /nfs/dbraw/zinc/63/23/33/792632333.db2.gz YPQMLNHJRHDTKZ-ADKAHSJRSA-N 2 0 321.509 2.415 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765804 792830754 /nfs/dbraw/zinc/83/07/54/792830754.db2.gz BHWMVKUDRSIEHL-OFLPRAFFSA-N 2 0 309.498 2.413 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848476 792881248 /nfs/dbraw/zinc/88/12/48/792881248.db2.gz OPSQMVOEZLKIRV-ABHNRTSZSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171539372 793113570 /nfs/dbraw/zinc/11/35/70/793113570.db2.gz TZRUBCGLUANCKT-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509752 793119661 /nfs/dbraw/zinc/11/96/61/793119661.db2.gz UMAQUMVEVSNRFM-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171603556 793147301 /nfs/dbraw/zinc/14/73/01/793147301.db2.gz BIMZDEKWPPLZTH-INIZCTEOSA-N 2 0 318.465 2.359 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474254 793172085 /nfs/dbraw/zinc/17/20/85/793172085.db2.gz PKJQHQPPDXGQOV-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001101575101 793240828 /nfs/dbraw/zinc/24/08/28/793240828.db2.gz TTZGMLSIWBSJMU-DOTOQJQBSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171918722 793251234 /nfs/dbraw/zinc/25/12/34/793251234.db2.gz SCBMTZYYPWOOAO-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101594701 793258620 /nfs/dbraw/zinc/25/86/20/793258620.db2.gz LGPWHTLUADSBFW-INIZCTEOSA-N 2 0 321.509 2.369 20 30 DEEDRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)Cc1ccc(C#N)cc1 ZINC001172301525 793393846 /nfs/dbraw/zinc/39/38/46/793393846.db2.gz PTVYSNVHNJFGFJ-MRXNPFEDSA-N 2 0 302.466 2.092 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCOC(C)C)CC1 ZINC001172453957 793431717 /nfs/dbraw/zinc/43/17/17/793431717.db2.gz IDKWUPTXZCDDIO-LJQANCHMSA-N 2 0 323.525 2.482 20 30 DEEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600294 793669012 /nfs/dbraw/zinc/66/90/12/793669012.db2.gz XRTIJWIRYHSKKC-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP 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 794061486 /nfs/dbraw/zinc/06/14/86/794061486.db2.gz PBAVWWSIBRPCBW-VSZNYVQBSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426603 794088054 /nfs/dbraw/zinc/08/80/54/794088054.db2.gz DQRWAGFFJYPAOK-KURKYZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433420 794089995 /nfs/dbraw/zinc/08/99/95/794089995.db2.gz FIMXSIOUVAVLHP-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103435183 794092413 /nfs/dbraw/zinc/09/24/13/794092413.db2.gz UHGXODSCCCOVQK-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C(C)C)CC1 ZINC001176737969 794483968 /nfs/dbraw/zinc/48/39/68/794483968.db2.gz ODWJNYQRDSVBLJ-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176753797 794497103 /nfs/dbraw/zinc/49/71/03/794497103.db2.gz NJRATNULNRKCMX-QZTJIDSGSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176759273 794498571 /nfs/dbraw/zinc/49/85/71/794498571.db2.gz HTYZVNNODLKFOX-QZTJIDSGSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874954 794509773 /nfs/dbraw/zinc/50/97/73/794509773.db2.gz JAYDCIQFWSDWGP-BQFCYCMXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045040 794803923 /nfs/dbraw/zinc/80/39/23/794803923.db2.gz AYSUTLBDZJWJLA-AWEZNQCLSA-N 2 0 301.862 2.099 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001115688258 794879335 /nfs/dbraw/zinc/87/93/35/794879335.db2.gz TZXCWYVLVDRSOO-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178502618 794931600 /nfs/dbraw/zinc/93/16/00/794931600.db2.gz UNQWGYNWELAULK-QGZVFWFLSA-N 2 0 307.482 2.171 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814956 795013277 /nfs/dbraw/zinc/01/32/77/795013277.db2.gz XOMQSZLSCONCQR-XHSDSOJGSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179234410 795081375 /nfs/dbraw/zinc/08/13/75/795081375.db2.gz NGHMPZAKUWOJEX-BHYGNILZSA-N 2 0 305.466 2.016 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001179357819 795097283 /nfs/dbraw/zinc/09/72/83/795097283.db2.gz LXLYVAGXUGFVBA-GOSISDBHSA-N 2 0 321.509 2.398 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001179792490 795177474 /nfs/dbraw/zinc/17/74/74/795177474.db2.gz PIFRAWQYUORLEI-MSOLQXFVSA-N 2 0 319.493 2.293 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120207759 795421932 /nfs/dbraw/zinc/42/19/32/795421932.db2.gz DVCOKQNSRXHJJP-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120207844 795422086 /nfs/dbraw/zinc/42/20/86/795422086.db2.gz ISTVLXFYAXJZBJ-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001120834752 795540203 /nfs/dbraw/zinc/54/02/03/795540203.db2.gz OCXHEXVMDJAGAO-DKVCYUOUSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121318543 795616430 /nfs/dbraw/zinc/61/64/30/795616430.db2.gz KKECUGAOGBSWJV-UHFFFAOYSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240944 795835704 /nfs/dbraw/zinc/83/57/04/795835704.db2.gz WJHUCZYEKUWLRZ-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183256107 795839775 /nfs/dbraw/zinc/83/97/75/795839775.db2.gz SEDBUUJOCFXDCP-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576736 795894765 /nfs/dbraw/zinc/89/47/65/795894765.db2.gz RBLABFKKYPRKJA-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCc1cccc(CN(CC[NH+](C)C)CC[NH+](C)C)c1O ZINC001138629385 796247352 /nfs/dbraw/zinc/24/73/52/796247352.db2.gz XCWSLLNHOYTXHO-UHFFFAOYSA-N 2 0 305.466 2.046 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185501611 796273710 /nfs/dbraw/zinc/27/37/10/796273710.db2.gz HSXJVENCUXJXSX-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185547509 796289889 /nfs/dbraw/zinc/28/98/89/796289889.db2.gz IGJGIFKIAPAEFJ-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C#C[C@H]1CCC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257422 796349814 /nfs/dbraw/zinc/34/98/14/796349814.db2.gz BDFHNWYPERXNNP-AWEZNQCLSA-N 2 0 302.418 2.308 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001186975512 796468595 /nfs/dbraw/zinc/46/85/95/796468595.db2.gz QKNYOCFAKWPVRE-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186981595 796469324 /nfs/dbraw/zinc/46/93/24/796469324.db2.gz RHQFMKARPVUISY-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193028982 797492056 /nfs/dbraw/zinc/49/20/56/797492056.db2.gz WVIKVLBTJXQMLU-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154332150 797514833 /nfs/dbraw/zinc/51/48/33/797514833.db2.gz HVBWPEKQTXJQFP-CQSZACIVSA-N 2 0 300.406 2.351 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154463990 797539244 /nfs/dbraw/zinc/53/92/44/797539244.db2.gz APGALVORCDCLMD-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844323 797625495 /nfs/dbraw/zinc/62/54/95/797625495.db2.gz BDAWSOKGYBNSLG-SJLPKXTDSA-N 2 0 319.493 2.243 20 30 DEEDRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155020900 797661982 /nfs/dbraw/zinc/66/19/82/797661982.db2.gz QGQHEWCCCJMVHS-ZIAGYGMSSA-N 2 0 313.449 2.037 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227993 797696398 /nfs/dbraw/zinc/69/63/98/797696398.db2.gz OVQQKGHSYBGDCC-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275729 798034233 /nfs/dbraw/zinc/03/42/33/798034233.db2.gz MUIXOAAYKFMYAB-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCCC)CC1 ZINC001157091816 798142432 /nfs/dbraw/zinc/14/24/32/798142432.db2.gz CVPPDPMUBQXKKU-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP N#Cc1cc(NC(=[NH2+])NCCCC[NH3+])nc2ccc(Cl)cc12 ZINC001157101929 798143906 /nfs/dbraw/zinc/14/39/06/798143906.db2.gz PNYWGVWPEWJERB-UHFFFAOYSA-N 2 0 316.796 2.435 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157118587 798146710 /nfs/dbraw/zinc/14/67/10/798146710.db2.gz ISJDFSOIJHSLIZ-QZTJIDSGSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001197331808 798178918 /nfs/dbraw/zinc/17/89/18/798178918.db2.gz NMVKZJRQCILUMY-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477555 798193208 /nfs/dbraw/zinc/19/32/08/798193208.db2.gz JTWHOAFBCOKCPR-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)CCCn2ccnc2)CC1 ZINC001198373514 798322891 /nfs/dbraw/zinc/32/28/91/798322891.db2.gz QVASPHJYLDTGRR-UHFFFAOYSA-N 2 0 304.438 2.164 20 30 DEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202452 798358908 /nfs/dbraw/zinc/35/89/08/798358908.db2.gz VXWJUSWJGOSGOS-QGZVFWFLSA-N 2 0 309.498 2.395 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909079 798488188 /nfs/dbraw/zinc/48/81/88/798488188.db2.gz GZACTHNVLVKJDU-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001200578164 798653084 /nfs/dbraw/zinc/65/30/84/798653084.db2.gz NEKPXMFPAFFBAD-NVXWUHKLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200605982 798661512 /nfs/dbraw/zinc/66/15/12/798661512.db2.gz FSVOUXYVCYPKQN-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161699555 798915122 /nfs/dbraw/zinc/91/51/22/798915122.db2.gz UGNIEHAAOGOFFJ-ZWKOTPCHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001161789800 798937248 /nfs/dbraw/zinc/93/72/48/798937248.db2.gz AGDCYCHCCLPPJG-IBGZPJMESA-N 2 0 317.477 2.187 20 30 DEEDRP 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 798953836 /nfs/dbraw/zinc/95/38/36/798953836.db2.gz YHKRSZMWTAQFPM-WCXIOVBPSA-N 2 0 305.466 2.014 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673571 798958931 /nfs/dbraw/zinc/95/89/31/798958931.db2.gz GTUKOAOLNNWXAJ-ZACQAIPSSA-N 2 0 305.466 2.158 20 30 DEEDRP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952658 798977339 /nfs/dbraw/zinc/97/73/39/798977339.db2.gz HXPQMQUCPZSKTQ-SFHVURJKSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245660 799684697 /nfs/dbraw/zinc/68/46/97/799684697.db2.gz ACWOEXYCEJXZJS-CQSZACIVSA-N 2 0 307.438 2.405 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770209 800120306 /nfs/dbraw/zinc/12/03/06/800120306.db2.gz FFLLDXYAMHMOOE-IRXDYDNUSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457897 800359612 /nfs/dbraw/zinc/35/96/12/800359612.db2.gz VHNSFRWTMNZVSB-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464986 800361444 /nfs/dbraw/zinc/36/14/44/800361444.db2.gz YYKJIGMMUDVXQT-SFHVURJKSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751561 800413566 /nfs/dbraw/zinc/41/35/66/800413566.db2.gz IBFYRDWHWIRVOQ-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001206170007 800484055 /nfs/dbraw/zinc/48/40/55/800484055.db2.gz WSDLPSZTJWGHLM-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481221 800540925 /nfs/dbraw/zinc/54/09/25/800540925.db2.gz FCKCOBFPZHDHFD-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001207337772 800732728 /nfs/dbraw/zinc/73/27/28/800732728.db2.gz WXJMEYAAQBOCKD-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207634715 800795088 /nfs/dbraw/zinc/79/50/88/800795088.db2.gz JOFUDWHLPQDGGK-XUVXKRRUSA-N 2 0 315.505 2.490 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207789593 800834132 /nfs/dbraw/zinc/83/41/32/800834132.db2.gz BKGJBJWQVRPNEC-NVXWUHKLSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859134 800850218 /nfs/dbraw/zinc/85/02/18/800850218.db2.gz JLBRBJRBJINRNB-BRWVUGGUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208113881 800915645 /nfs/dbraw/zinc/91/56/45/800915645.db2.gz JSXOPSGWJJBFHN-NXHRZFHOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261995 800943960 /nfs/dbraw/zinc/94/39/60/800943960.db2.gz WMSOUUYMROJIFQ-JKSUJKDBSA-N 2 0 313.461 2.213 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210584669 801426507 /nfs/dbraw/zinc/42/65/07/801426507.db2.gz JPNNCPPYMVUDTH-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230618403 801437828 /nfs/dbraw/zinc/43/78/28/801437828.db2.gz MMDDBBIYZXLFBS-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210690758 801447603 /nfs/dbraw/zinc/44/76/03/801447603.db2.gz PMBVKEKHNMJRRQ-OAHLLOKOSA-N 2 0 316.449 2.308 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415735 801857699 /nfs/dbraw/zinc/85/76/99/801857699.db2.gz JVUDZTSSDKWGBQ-OWCLPIDISA-N 2 0 307.482 2.119 20 30 DEEDRP Cc1ccc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c(C#N)c1 ZINC001232966992 801992478 /nfs/dbraw/zinc/99/24/78/801992478.db2.gz ZGHGUNLRMPZLLW-UHFFFAOYSA-N 2 0 312.417 2.497 20 30 DEEDRP C#Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)cc1F ZINC001219383710 802320334 /nfs/dbraw/zinc/32/03/34/802320334.db2.gz AIODPALPHLHBDM-INIZCTEOSA-N 2 0 305.397 2.241 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013587 802632992 /nfs/dbraw/zinc/63/29/92/802632992.db2.gz HAAHTLFYSQENPW-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)COc1ccccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091322 802641611 /nfs/dbraw/zinc/64/16/11/802641611.db2.gz QJNDMUVVRRCAML-UHFFFAOYSA-N 2 0 315.461 2.169 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541438 802979343 /nfs/dbraw/zinc/97/93/43/802979343.db2.gz CJPWZECBDBDDGQ-IYBDPMFKSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227443426 803241539 /nfs/dbraw/zinc/24/15/39/803241539.db2.gz KCFSGAIABYUGJO-ZMSDIMECSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807002 803283081 /nfs/dbraw/zinc/28/30/81/803283081.db2.gz KBXXBOIMQHIIAO-HNNXBMFYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228342140 803346498 /nfs/dbraw/zinc/34/64/98/803346498.db2.gz TXRWENJOJYUYQI-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101989 1148722461 /nfs/dbraw/zinc/72/24/61/1148722461.db2.gz JUKYAGOLHWWNKR-MRXNPFEDSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001343665766 1150761296 /nfs/dbraw/zinc/76/12/96/1150761296.db2.gz NZQUSCSPUPALLS-LBPRGKRZSA-N 2 0 308.451 2.232 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368335774 1148417177 /nfs/dbraw/zinc/41/71/77/1148417177.db2.gz JDLQDSKBMYKAQT-ZIAGYGMSSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001500012674 1058429605 /nfs/dbraw/zinc/42/96/05/1058429605.db2.gz HNVDZGWUFRMOFG-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001460800141 1058509219 /nfs/dbraw/zinc/50/92/19/1058509219.db2.gz IBOOZGJSSXPVIP-KXBFYZLASA-N 2 0 322.412 2.197 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001500161063 1058538081 /nfs/dbraw/zinc/53/80/81/1058538081.db2.gz GITPYWQPECFBHU-LJQANCHMSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001500381765 1058739030 /nfs/dbraw/zinc/73/90/30/1058739030.db2.gz DQLSTWOPSXSXQE-MJGOQNOKSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001479233287 1061308488 /nfs/dbraw/zinc/30/84/88/1061308488.db2.gz IQWRVWUOQOYOID-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[N@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001479844030 1061893472 /nfs/dbraw/zinc/89/34/72/1061893472.db2.gz WNZJJLWMNFJULZ-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP CC#CC[NH2+][C@@H](CCN(C)C(=O)CC[NH+]1CCCCC1)C(C)C ZINC001506484965 1062030369 /nfs/dbraw/zinc/03/03/69/1062030369.db2.gz CZHKRUCBMMTAQI-SFHVURJKSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480085096 1062304382 /nfs/dbraw/zinc/30/43/82/1062304382.db2.gz PCIQDBAEFPQHOM-HNNXBMFYSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001480366130 1062719481 /nfs/dbraw/zinc/71/94/81/1062719481.db2.gz UAHPTBBEBBJLOY-AEFFLSMTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480697275 1063204996 /nfs/dbraw/zinc/20/49/96/1063204996.db2.gz LRBPOAPMAQGXRS-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480725491 1063249286 /nfs/dbraw/zinc/24/92/86/1063249286.db2.gz SNVJLJCEJOYPPG-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001507938291 1063474527 /nfs/dbraw/zinc/47/45/27/1063474527.db2.gz IIBBOYHZKPLWCZ-INIZCTEOSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001493086698 1063548076 /nfs/dbraw/zinc/54/80/76/1063548076.db2.gz UMMAIEFVKRAGCH-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001493848425 1063990164 /nfs/dbraw/zinc/99/01/64/1063990164.db2.gz DZRARUWRRLFZOM-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001493850108 1063991796 /nfs/dbraw/zinc/99/17/96/1063991796.db2.gz OPXBFUULXRQLFK-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568329371 1064781966 /nfs/dbraw/zinc/78/19/66/1064781966.db2.gz WYQLPCJHRHXEDZ-QGZVFWFLSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568387355 1064829509 /nfs/dbraw/zinc/82/95/09/1064829509.db2.gz VBWNNFBYKRFQSC-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001495359627 1064860376 /nfs/dbraw/zinc/86/03/76/1064860376.db2.gz LKJNQMVXIJDBBV-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001568424573 1064860941 /nfs/dbraw/zinc/86/09/41/1064860941.db2.gz SOJUAPHWOQAWBL-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001568435415 1064869698 /nfs/dbraw/zinc/86/96/98/1064869698.db2.gz YIVYKGUALWRTSC-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001568437639 1064871995 /nfs/dbraw/zinc/87/19/95/1064871995.db2.gz CEJZSOCQRPMYJO-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001568537524 1064947658 /nfs/dbraw/zinc/94/76/58/1064947658.db2.gz RZHHJJYAKPMBIW-SJORKVTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001569317909 1065425846 /nfs/dbraw/zinc/42/58/46/1065425846.db2.gz HFMQTOSWVCCKLG-RHSMWYFYSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001496509638 1065520877 /nfs/dbraw/zinc/52/08/77/1065520877.db2.gz VWDNTYHLOWVQRU-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001569466799 1065524981 /nfs/dbraw/zinc/52/49/81/1065524981.db2.gz FWLLUIMIFLFAGY-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001496782194 1065709183 /nfs/dbraw/zinc/70/91/83/1065709183.db2.gz WVDNXUUMXKCHDE-KRWDZBQOSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001569800435 1065725534 /nfs/dbraw/zinc/72/55/34/1065725534.db2.gz QGGFJOFZEJHONN-SFHVURJKSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300008 1148517352 /nfs/dbraw/zinc/51/73/52/1148517352.db2.gz RZSLQBXHDWPWDW-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001497236738 1065981669 /nfs/dbraw/zinc/98/16/69/1065981669.db2.gz ADBWTPYVTYJZAZ-MRXNPFEDSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001570385044 1066042304 /nfs/dbraw/zinc/04/23/04/1066042304.db2.gz XAPIHZYBWIHOQR-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001497818083 1066345395 /nfs/dbraw/zinc/34/53/95/1066345395.db2.gz ZRAXHAOWNPKORP-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001498770664 1066877863 /nfs/dbraw/zinc/87/78/63/1066877863.db2.gz PSMUKXCCLKVNFL-IRXDYDNUSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001499130754 1067111051 /nfs/dbraw/zinc/11/10/51/1067111051.db2.gz BXYOWLBVCFWTFC-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267107668 1078585069 /nfs/dbraw/zinc/58/50/69/1078585069.db2.gz IUVNSKCPZNOURS-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001570664607 1068060718 /nfs/dbraw/zinc/06/07/18/1068060718.db2.gz SOXXEIJDFKTQRW-UHFFFAOYSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001670868101 1078644206 /nfs/dbraw/zinc/64/42/06/1078644206.db2.gz GGHABFCYFQHCNG-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001283456913 1078644570 /nfs/dbraw/zinc/64/45/70/1078644570.db2.gz JMAXJSGLKVKPJJ-YESZJQIVSA-N 2 0 309.498 2.413 20 30 DEEDRP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001570716706 1068091312 /nfs/dbraw/zinc/09/13/12/1068091312.db2.gz YQCKXOBTJJRAQB-WBVHZDCISA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001570815469 1068126114 /nfs/dbraw/zinc/12/61/14/1068126114.db2.gz CUISWVWKQDSYRG-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001570909988 1068157437 /nfs/dbraw/zinc/15/74/37/1068157437.db2.gz VBCYKUGGVXAPLX-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001571467426 1068318413 /nfs/dbraw/zinc/31/84/13/1068318413.db2.gz LGUOHUIYRICQSM-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001571492550 1068349316 /nfs/dbraw/zinc/34/93/16/1068349316.db2.gz FWDYFLCHIGUBGW-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001571508289 1068367511 /nfs/dbraw/zinc/36/75/11/1068367511.db2.gz CVMGKVBUHKDXEO-GVDBMIGSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001571614959 1068441484 /nfs/dbraw/zinc/44/14/84/1068441484.db2.gz AHFVHQUTTRQDJS-UHFFFAOYSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001571626629 1068447897 /nfs/dbraw/zinc/44/78/97/1068447897.db2.gz CWNMKYDPNGWQCG-INIZCTEOSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001267324576 1078765628 /nfs/dbraw/zinc/76/56/28/1078765628.db2.gz MCBKRNWHXHODAV-QGZVFWFLSA-N 2 0 307.482 2.099 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001267334867 1078773615 /nfs/dbraw/zinc/77/36/15/1078773615.db2.gz TYPPQNZPXCZPML-MSOLQXFVSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001670871840 1078838699 /nfs/dbraw/zinc/83/86/99/1078838699.db2.gz HUSOQSVLMSLBGP-HZPDHXFCSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001267419375 1078838956 /nfs/dbraw/zinc/83/89/56/1078838956.db2.gz MHCJGKNCTFUYBM-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[C@]1(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)CCC[NH2+]1 ZINC001574892606 1069289765 /nfs/dbraw/zinc/28/97/65/1069289765.db2.gz HTZIRUHBBAQLTB-LJQANCHMSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001267491538 1078916298 /nfs/dbraw/zinc/91/62/98/1078916298.db2.gz JIOKJZSNZZMWLZ-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001267512667 1078942002 /nfs/dbraw/zinc/94/20/02/1078942002.db2.gz QPJBUOGFEMJPMI-KRWDZBQOSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001329342364 1148886142 /nfs/dbraw/zinc/88/61/42/1148886142.db2.gz XKIXZELOGAGCFF-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481100509 1079183879 /nfs/dbraw/zinc/18/38/79/1079183879.db2.gz RXFOVPRERCTUQD-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH]ccc-2n1)C1CCCC1 ZINC001484003335 1079237994 /nfs/dbraw/zinc/23/79/94/1079237994.db2.gz SNEQKKAEEVEDIF-QGZVFWFLSA-N 2 0 310.401 2.074 20 30 DEEDRP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484161194 1079336224 /nfs/dbraw/zinc/33/62/24/1079336224.db2.gz OFIQKHRNVRFZBI-PKOBYXMFSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267685134 1079373154 /nfs/dbraw/zinc/37/31/54/1079373154.db2.gz YYAYWHFOIFTFBW-IAGOWNOFSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001566123878 1075232492 /nfs/dbraw/zinc/23/24/92/1075232492.db2.gz ZFKPADKDGKFIKM-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566668881 1075310751 /nfs/dbraw/zinc/31/07/51/1075310751.db2.gz DONULDRSMZJNJJ-HOTGVXAUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001566755473 1075335848 /nfs/dbraw/zinc/33/58/48/1075335848.db2.gz HUHVFHSKWNQHGC-NXOAAHMSSA-N 2 0 307.482 2.357 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001566755973 1075336709 /nfs/dbraw/zinc/33/67/09/1075336709.db2.gz YCZCVGCPZPLSGE-XDNAFOTISA-N 2 0 319.493 2.358 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001566878165 1075371334 /nfs/dbraw/zinc/37/13/34/1075371334.db2.gz NBSVGMBQECXAMI-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267831734 1079520873 /nfs/dbraw/zinc/52/08/73/1079520873.db2.gz SUCHQIVHAPJYLK-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001267842849 1079533145 /nfs/dbraw/zinc/53/31/45/1079533145.db2.gz CFTRMGPFKYVZKE-UHFFFAOYSA-N 2 0 313.445 2.014 20 30 DEEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268001150 1079683629 /nfs/dbraw/zinc/68/36/29/1079683629.db2.gz WVHIJTHRCXYTGO-SJLPKXTDSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001484937547 1079868043 /nfs/dbraw/zinc/86/80/43/1079868043.db2.gz PFOMTHZYMJYORZ-IAGOWNOFSA-N 2 0 321.509 2.347 20 30 DEEDRP C#C[C@H](C)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001652433696 1079873905 /nfs/dbraw/zinc/87/39/05/1079873905.db2.gz WAISUTJPAQTOEV-HNNXBMFYSA-N 2 0 315.417 2.461 20 30 DEEDRP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001484982734 1079896171 /nfs/dbraw/zinc/89/61/71/1079896171.db2.gz TVNZQWLLKAJMHF-MSOLQXFVSA-N 2 0 321.509 2.491 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481461832 1079907012 /nfs/dbraw/zinc/90/70/12/1079907012.db2.gz JOUIVLCTANNQNS-QGZVFWFLSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481493404 1079950247 /nfs/dbraw/zinc/95/02/47/1079950247.db2.gz YDSOXMOPYMTNJL-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481504021 1079964314 /nfs/dbraw/zinc/96/43/14/1079964314.db2.gz KFYDAKWQWJCWKU-IRXDYDNUSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001268120236 1080088891 /nfs/dbraw/zinc/08/88/91/1080088891.db2.gz MSGLESWXOUZXRT-OKZBNKHCSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833435 1080127370 /nfs/dbraw/zinc/12/73/70/1080127370.db2.gz QNOPBNMURYOUQD-SJORKVTESA-N 2 0 321.509 2.321 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001268193313 1080179506 /nfs/dbraw/zinc/17/95/06/1080179506.db2.gz JWJLQNBIAPAZPV-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001268216586 1080201526 /nfs/dbraw/zinc/20/15/26/1080201526.db2.gz KPELOWAEKKDABF-ULQDDVLXSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001268221496 1080205901 /nfs/dbraw/zinc/20/59/01/1080205901.db2.gz CTKZTKUSBANJCY-IRXDYDNUSA-N 2 0 307.482 2.003 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485585256 1080315319 /nfs/dbraw/zinc/31/53/19/1080315319.db2.gz KSBJQQHSYUQUPV-HZPDHXFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[N@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001485664997 1080354282 /nfs/dbraw/zinc/35/42/82/1080354282.db2.gz VCWQPRLNWZEOOI-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP N#CCOc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001661367051 1080474528 /nfs/dbraw/zinc/47/45/28/1080474528.db2.gz ABWBFDXQKGJHNJ-UHFFFAOYSA-N 2 0 319.368 2.459 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001661613904 1080499438 /nfs/dbraw/zinc/49/94/38/1080499438.db2.gz BFFVDKDLCZLRPS-TWMKSMIVSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107030399 1080539876 /nfs/dbraw/zinc/53/98/76/1080539876.db2.gz CJTQAPUMUPCBFF-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001662108194 1080570040 /nfs/dbraw/zinc/57/00/40/1080570040.db2.gz AFKHLXOVXOLUSI-OFLPRAFFSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001482051673 1080752426 /nfs/dbraw/zinc/75/24/26/1080752426.db2.gz KQWAEUKMBXZSJW-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663931529 1080838394 /nfs/dbraw/zinc/83/83/94/1080838394.db2.gz LVAOLDVFPPTDEW-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268964947 1081061458 /nfs/dbraw/zinc/06/14/58/1081061458.db2.gz HSIFBSMJWXZWBS-LTIDMASMSA-N 2 0 307.482 2.212 20 30 DEEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001665833224 1081088381 /nfs/dbraw/zinc/08/83/81/1081088381.db2.gz FHYSXDHKKCDWFS-AEFFLSMTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269025891 1081089605 /nfs/dbraw/zinc/08/96/05/1081089605.db2.gz KDOYKOPEUBESJD-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001666252957 1081136912 /nfs/dbraw/zinc/13/69/12/1081136912.db2.gz QALDSJAGNKBUGR-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001666367620 1081147936 /nfs/dbraw/zinc/14/79/36/1081147936.db2.gz ABTPCLUTIBVPDZ-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001666379683 1081148623 /nfs/dbraw/zinc/14/86/23/1081148623.db2.gz USTOGWORUTXTCR-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001666838863 1081184752 /nfs/dbraw/zinc/18/47/52/1081184752.db2.gz WDNMXDUVPLAGLE-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[N@H+](C)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001667426616 1081250350 /nfs/dbraw/zinc/25/03/50/1081250350.db2.gz RTTOKGWZLIYOID-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001269544784 1081284836 /nfs/dbraw/zinc/28/48/36/1081284836.db2.gz SGUXCMHUEVNVAW-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001667771159 1081288368 /nfs/dbraw/zinc/28/83/68/1081288368.db2.gz PREIWXIOZDCQRD-IAGOWNOFSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001482237929 1081333428 /nfs/dbraw/zinc/33/34/28/1081333428.db2.gz AEWQONHGNLFGJI-UHFFFAOYSA-N 2 0 301.862 2.098 20 30 DEEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H](C)C1 ZINC001269971356 1081412955 /nfs/dbraw/zinc/41/29/55/1081412955.db2.gz GNQOZNMPLDVGEL-ROUUACIJSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001280220389 1081521651 /nfs/dbraw/zinc/52/16/51/1081521651.db2.gz XIFZFCIGUGEFQC-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001671842793 1081542875 /nfs/dbraw/zinc/54/28/75/1081542875.db2.gz NVRWCWLGSJJKKF-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001672280460 1081577258 /nfs/dbraw/zinc/57/72/58/1081577258.db2.gz UVXZEZHNFHWBEL-ZFWWWQNUSA-N 2 0 321.490 2.293 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001672338540 1081586117 /nfs/dbraw/zinc/58/61/17/1081586117.db2.gz LFFQWPMQZHICON-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001672388596 1081592139 /nfs/dbraw/zinc/59/21/39/1081592139.db2.gz MAEKATIRYOMPBR-SJLPKXTDSA-N 2 0 315.461 2.131 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001672434296 1081599413 /nfs/dbraw/zinc/59/94/13/1081599413.db2.gz XIOPECWFQJVQTM-FGTMMUONSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCC1 ZINC001673242151 1081748552 /nfs/dbraw/zinc/74/85/52/1081748552.db2.gz QSTKIOHKJBPMDB-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001673650572 1081789164 /nfs/dbraw/zinc/78/91/64/1081789164.db2.gz LATMBMHNWKKZHQ-IBGZPJMESA-N 2 0 319.493 2.363 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001482406143 1081797589 /nfs/dbraw/zinc/79/75/89/1081797589.db2.gz NYSVQHQOPFFFIF-ROUUACIJSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001674154778 1081849452 /nfs/dbraw/zinc/84/94/52/1081849452.db2.gz MJVVRWWUGZADND-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001674399598 1081865532 /nfs/dbraw/zinc/86/55/32/1081865532.db2.gz QCITYJXVCVWWJM-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001674457810 1081874909 /nfs/dbraw/zinc/87/49/09/1081874909.db2.gz NRHVNKVLMAAJQK-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266373448 1082005951 /nfs/dbraw/zinc/00/59/51/1082005951.db2.gz DHNABZXSZIRXDM-QGZVFWFLSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001266445083 1082042526 /nfs/dbraw/zinc/04/25/26/1082042526.db2.gz KGWRFCPGSGQACM-SFHVURJKSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001271749565 1082145479 /nfs/dbraw/zinc/14/54/79/1082145479.db2.gz GRVDAWKMVBISQV-BCDXTJNWSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001271771932 1082151094 /nfs/dbraw/zinc/15/10/94/1082151094.db2.gz DBLXVKPHYUGXQK-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001482530595 1082164696 /nfs/dbraw/zinc/16/46/96/1082164696.db2.gz CVDMGMOCVNWJQP-MRXNPFEDSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001271940921 1082201439 /nfs/dbraw/zinc/20/14/39/1082201439.db2.gz MLUJCFRDBWVWDZ-SFHVURJKSA-N 2 0 315.461 2.116 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001266662255 1082257645 /nfs/dbraw/zinc/25/76/45/1082257645.db2.gz DEKUVTIYBDAFSK-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766644 1082330458 /nfs/dbraw/zinc/33/04/58/1082330458.db2.gz IADUIVYDROQCTG-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266868005 1082414526 /nfs/dbraw/zinc/41/45/26/1082414526.db2.gz RTBLFPJTUPMSTN-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266884834 1082429562 /nfs/dbraw/zinc/42/95/62/1082429562.db2.gz UASHSVUEGNTCHW-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001409767627 1083047572 /nfs/dbraw/zinc/04/75/72/1083047572.db2.gz HVXXWDMTFGSBJP-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609239 1083514735 /nfs/dbraw/zinc/51/47/35/1083514735.db2.gz KFFUHQOIKNTSCA-YQVWRLOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001277490910 1084001018 /nfs/dbraw/zinc/00/10/18/1084001018.db2.gz ZUTAKZMJNWPKBJ-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CCC1)C(C)C ZINC001277577102 1084042767 /nfs/dbraw/zinc/04/27/67/1084042767.db2.gz PTQTXRAOUGAHHC-MSOLQXFVSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001491338221 1084240965 /nfs/dbraw/zinc/24/09/65/1084240965.db2.gz RNDIEIGXZYXVRK-QXDIGNSFSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCOc1cccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235009771 1084270124 /nfs/dbraw/zinc/27/01/24/1084270124.db2.gz ZACVAWHOHHWHCE-LJQANCHMSA-N 2 0 316.445 2.453 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485833424 1084282309 /nfs/dbraw/zinc/28/23/09/1084282309.db2.gz UIWMAZXVVYBEIN-DOTOQJQBSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259907 1084362949 /nfs/dbraw/zinc/36/29/49/1084362949.db2.gz DLDAZCVHTZQLPE-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP N#CCCCC[N@@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001277948356 1084443930 /nfs/dbraw/zinc/44/39/30/1084443930.db2.gz HUHQRZOIRXUNMY-KRWDZBQOSA-N 2 0 301.438 2.391 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001078768853 1084864263 /nfs/dbraw/zinc/86/42/63/1084864263.db2.gz XNPMERWCJOQEHK-DLBZAZTESA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001485933766 1085003223 /nfs/dbraw/zinc/00/32/23/1085003223.db2.gz DWQHBWCGYURHOY-OAHLLOKOSA-N 2 0 303.450 2.374 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001486175674 1085105288 /nfs/dbraw/zinc/10/52/88/1085105288.db2.gz GDRDXKXDAYCQJG-AEFFLSMTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001486208432 1085111930 /nfs/dbraw/zinc/11/19/30/1085111930.db2.gz UYTDTVYQOFBTNH-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000964166461 1085170290 /nfs/dbraw/zinc/17/02/90/1085170290.db2.gz IOKJWBFCJJAXHZ-APUKJBRXSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)CN1CC[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038872 1086064416 /nfs/dbraw/zinc/06/44/16/1086064416.db2.gz JUYKQRXJDNKYOR-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC1CC[NH+](C)CC1 ZINC001273039766 1086065247 /nfs/dbraw/zinc/06/52/47/1086065247.db2.gz UZNPPUKQVJQHDC-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417582 1086448394 /nfs/dbraw/zinc/44/83/94/1086448394.db2.gz NXTXQIBUGDEVFH-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416437 1086448503 /nfs/dbraw/zinc/44/85/03/1086448503.db2.gz LHQQKCRSYZSGBH-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957325700 1088173910 /nfs/dbraw/zinc/17/39/10/1088173910.db2.gz UJPGJBAONBQIIR-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001114724944 1088295181 /nfs/dbraw/zinc/29/51/81/1088295181.db2.gz WAFZVPPJIJGIAU-BDXSIMOUSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552363 1088402173 /nfs/dbraw/zinc/40/21/73/1088402173.db2.gz MAWUXOPXPYRRJE-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001114832038 1088920453 /nfs/dbraw/zinc/92/04/53/1088920453.db2.gz KNXVXFPECLSOJU-IMBTUZDBSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558629 1090006615 /nfs/dbraw/zinc/00/66/15/1090006615.db2.gz ZUSMIWFIOPHVOR-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405317 1090291284 /nfs/dbraw/zinc/29/12/84/1090291284.db2.gz HTOMFWRPHAKZQO-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701230 1090401283 /nfs/dbraw/zinc/40/12/83/1090401283.db2.gz UIXWIGSYGSOQCH-RCCFBDPRSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001410211096 1090427385 /nfs/dbraw/zinc/42/73/85/1090427385.db2.gz JMZKVFPQJDRRFE-HDJSIYSDSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084972349 1090555212 /nfs/dbraw/zinc/55/52/12/1090555212.db2.gz XURXAELAOXKWSL-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001410499575 1091017258 /nfs/dbraw/zinc/01/72/58/1091017258.db2.gz FUVHPTFCOILFFE-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275599710 1091901934 /nfs/dbraw/zinc/90/19/34/1091901934.db2.gz JUDMYFGESWFKAX-JKSUJKDBSA-N 2 0 307.482 2.406 20 30 DEEDRP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(C#N)c1 ZINC001275616739 1091914013 /nfs/dbraw/zinc/91/40/13/1091914013.db2.gz NDPVUIAQXUCRFV-OALUTQOASA-N 2 0 312.461 2.077 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833189 1091962088 /nfs/dbraw/zinc/96/20/88/1091962088.db2.gz LSOYAFHCVIPALK-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948886425 1091981014 /nfs/dbraw/zinc/98/10/14/1091981014.db2.gz NXVVTVBDJRRYTH-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001273839635 1092303224 /nfs/dbraw/zinc/30/32/24/1092303224.db2.gz BANREALOLUSYCO-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001488699176 1092688557 /nfs/dbraw/zinc/68/85/57/1092688557.db2.gz OEPOIDNRIPXLKI-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001489239826 1093001658 /nfs/dbraw/zinc/00/16/58/1093001658.db2.gz IJGAKTYDQQHIRS-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490447885 1093363230 /nfs/dbraw/zinc/36/32/30/1093363230.db2.gz JWBYOVNJQHVDHS-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C[NH+](C)CCN(CCCc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC001236922107 1138456884 /nfs/dbraw/zinc/45/68/84/1138456884.db2.gz DDYYPSFMNKJWQB-IBGZPJMESA-N 2 0 314.477 2.106 20 30 DEEDRP C[C@H]1CNCC(F)(F)[C@@H]1CN1CC(Oc2ccccc2C#N)C1 ZINC001237179866 1138516608 /nfs/dbraw/zinc/51/66/08/1138516608.db2.gz LYUUHELZJBYQDC-SWLSCSKDSA-N 2 0 321.371 2.112 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001278253608 1138859497 /nfs/dbraw/zinc/85/94/97/1138859497.db2.gz XFBZFUJFOPBNCM-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP CCCCCCCNC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239216271 1138991595 /nfs/dbraw/zinc/99/15/95/1138991595.db2.gz NNXHRXMCFMQMKF-HNNXBMFYSA-N 2 0 310.486 2.130 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001316661050 1139834846 /nfs/dbraw/zinc/83/48/46/1139834846.db2.gz ZEKWZTKXUHKHME-YESZJQIVSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001281974664 1139835101 /nfs/dbraw/zinc/83/51/01/1139835101.db2.gz GKJPHYYOIJTEOG-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001316661890 1139850131 /nfs/dbraw/zinc/85/01/31/1139850131.db2.gz BZVLSDGOSYZVGH-KSZLIROESA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001318445126 1140331862 /nfs/dbraw/zinc/33/18/62/1140331862.db2.gz KBAVAHXQYOYARC-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318446186 1140333726 /nfs/dbraw/zinc/33/37/26/1140333726.db2.gz TYUMLAXDFMLKAI-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001319370543 1140557293 /nfs/dbraw/zinc/55/72/93/1140557293.db2.gz XOXHBPJBYZKQFP-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001319405601 1140564764 /nfs/dbraw/zinc/56/47/64/1140564764.db2.gz UBZTXEUZKRUGLI-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001319658797 1140644977 /nfs/dbraw/zinc/64/49/77/1140644977.db2.gz BADWTOJVUFVLLP-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001319695907 1140668324 /nfs/dbraw/zinc/66/83/24/1140668324.db2.gz ILHGJDZQBYFLHO-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319860784 1140772705 /nfs/dbraw/zinc/77/27/05/1140772705.db2.gz IERBEPYRAVFOGA-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@H]1O ZINC001245990660 1140843164 /nfs/dbraw/zinc/84/31/64/1140843164.db2.gz BNPBYRXTGGSWDP-OKZBNKHCSA-N 2 0 314.514 2.438 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001245992589 1140843312 /nfs/dbraw/zinc/84/33/12/1140843312.db2.gz ZCKQLGCNIIGSNS-DLBZAZTESA-N 2 0 300.487 2.192 20 30 DEEDRP CC[NH+](CC)CC[C@H](C)NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001246306431 1140882938 /nfs/dbraw/zinc/88/29/38/1140882938.db2.gz VZHOGGROYFYNDB-ZDUSSCGKSA-N 2 0 305.422 2.299 20 30 DEEDRP N#Cc1cccc(C[N@H+](C2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246441924 1140899325 /nfs/dbraw/zinc/89/93/25/1140899325.db2.gz LHHCEWFCKRSYEL-IYARVYRRSA-N 3 0 312.461 2.382 20 30 DEEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321211536 1141085972 /nfs/dbraw/zinc/08/59/72/1141085972.db2.gz ZZPIGMKLDYYHBZ-DKRLNXSXSA-N 2 0 305.466 2.232 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001321652276 1141322096 /nfs/dbraw/zinc/32/20/96/1141322096.db2.gz GKMYCUWHIGJBIV-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001323480123 1141857422 /nfs/dbraw/zinc/85/74/22/1141857422.db2.gz QMKWLCIEDGXYHJ-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001324620143 1142157280 /nfs/dbraw/zinc/15/72/80/1142157280.db2.gz PYOPYHIPYXXDTB-WMZOPIPTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001324620137 1142158484 /nfs/dbraw/zinc/15/84/84/1142158484.db2.gz PYOPYHIPYXXDTB-AEFFLSMTSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278571267 1142211390 /nfs/dbraw/zinc/21/13/90/1142211390.db2.gz DISGIIOWCAXXPW-AEFFLSMTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+]CCC[NH+](CCCC)CCCC ZINC001252486937 1142732525 /nfs/dbraw/zinc/73/25/25/1142732525.db2.gz JZEACCQHQPJKMS-QGZVFWFLSA-N 2 0 300.487 2.432 20 30 DEEDRP C=C[C@](C)(O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252559300 1142766345 /nfs/dbraw/zinc/76/63/45/1142766345.db2.gz VFBMYSSRKGEMQX-QRVBRYPASA-N 2 0 300.446 2.377 20 30 DEEDRP C=CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252620279 1142792445 /nfs/dbraw/zinc/79/24/45/1142792445.db2.gz STWFCVOUSRICPX-KRWDZBQOSA-N 2 0 304.434 2.273 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1[NH2+]CC12CCCC2)C(C)C ZINC001339768241 1143096614 /nfs/dbraw/zinc/09/66/14/1143096614.db2.gz NXUUHOQTOYOPNQ-IAGOWNOFSA-N 2 0 319.493 2.333 20 30 DEEDRP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)CC1 ZINC001254516751 1143176932 /nfs/dbraw/zinc/17/69/32/1143176932.db2.gz OPCXOSQQPAMTFI-INIZCTEOSA-N 2 0 321.465 2.191 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001340242724 1143307663 /nfs/dbraw/zinc/30/76/63/1143307663.db2.gz WYXRFPXQQIINFH-MRXNPFEDSA-N 2 0 307.413 2.057 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001340366281 1143331546 /nfs/dbraw/zinc/33/15/46/1143331546.db2.gz JBLQNMJHSBMCIO-KRWDZBQOSA-N 2 0 316.449 2.098 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001341731501 1143687069 /nfs/dbraw/zinc/68/70/69/1143687069.db2.gz BVSVBUHUBWNTQR-SZMVWBNQSA-N 2 0 315.461 2.307 20 30 DEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CC[NH+](C2CC2)CC1 ZINC001256072533 1143827415 /nfs/dbraw/zinc/82/74/15/1143827415.db2.gz DJPGJNFZFCDMLD-UHFFFAOYSA-N 3 0 300.450 2.280 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001263863773 1144415944 /nfs/dbraw/zinc/41/59/44/1144415944.db2.gz DGWFPIAFKDCXHZ-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001263900711 1144421579 /nfs/dbraw/zinc/42/15/79/1144421579.db2.gz QWCMTANGPCFNQB-GVDBMIGSSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264096510 1144462288 /nfs/dbraw/zinc/46/22/88/1144462288.db2.gz MKTBTMRGRJWUKW-KSZLIROESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001264462025 1144542451 /nfs/dbraw/zinc/54/24/51/1144542451.db2.gz OUJKWMKTAIVDHS-CGTJXYLNSA-N 2 0 319.493 2.169 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001264741980 1144603722 /nfs/dbraw/zinc/60/37/22/1144603722.db2.gz YAIYIWTYPAVPQN-INIZCTEOSA-N 2 0 318.465 2.242 20 30 DEEDRP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001265200651 1144665159 /nfs/dbraw/zinc/66/51/59/1144665159.db2.gz WAFKLLHKZSQRED-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265228622 1144672982 /nfs/dbraw/zinc/67/29/82/1144672982.db2.gz GAWJMHROOVIIML-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001265235790 1144674385 /nfs/dbraw/zinc/67/43/85/1144674385.db2.gz WDQQXTQQIWKBAW-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265395262 1144701928 /nfs/dbraw/zinc/70/19/28/1144701928.db2.gz SBMKZPLIYRMWFK-QGZVFWFLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001265397256 1144702079 /nfs/dbraw/zinc/70/20/79/1144702079.db2.gz VCLMPGHBSVJTOW-HNNXBMFYSA-N 2 0 304.438 2.089 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265656105 1144723836 /nfs/dbraw/zinc/72/38/36/1144723836.db2.gz WKPHSAOHMDBCCR-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266010059 1144784966 /nfs/dbraw/zinc/78/49/66/1144784966.db2.gz CYNXQAHENURJHY-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266067304 1144802237 /nfs/dbraw/zinc/80/22/37/1144802237.db2.gz KTESAJSXGAIDAS-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001279273737 1144819945 /nfs/dbraw/zinc/81/99/45/1144819945.db2.gz VNAAEKPCLUEKJM-BZSNNMDCSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CCC)CC2)CC1 ZINC001279367989 1144821383 /nfs/dbraw/zinc/82/13/83/1144821383.db2.gz DDYTZCVDVYJHTL-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001281683058 1144907857 /nfs/dbraw/zinc/90/78/57/1144907857.db2.gz MIWPDTXBEBANDB-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001281956705 1144923802 /nfs/dbraw/zinc/92/38/02/1144923802.db2.gz JSYWTORFHWTVTE-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001282819701 1145170548 /nfs/dbraw/zinc/17/05/48/1145170548.db2.gz DPWMNJOHDALGFL-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001282959591 1145214356 /nfs/dbraw/zinc/21/43/56/1145214356.db2.gz VOFTVHOBWCIRJD-YESZJQIVSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001283191092 1145310031 /nfs/dbraw/zinc/31/00/31/1145310031.db2.gz HTAMEEUSYIDEHT-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001284686073 1145890344 /nfs/dbraw/zinc/89/03/44/1145890344.db2.gz GRWPJUQHSAATGH-WBVHZDCISA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001365936964 1146924214 /nfs/dbraw/zinc/92/42/14/1146924214.db2.gz YQQYCXZCEHSUQU-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001317193746 1147219737 /nfs/dbraw/zinc/21/97/37/1147219737.db2.gz UVDUDPUOIWSZDG-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[NH+]1CCC(N(CCC)C(=O)C[NH+]2CCCC2)CC1 ZINC001317006836 1147647481 /nfs/dbraw/zinc/64/74/81/1147647481.db2.gz XQCVNXVXMBRMQV-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001317006263 1147647553 /nfs/dbraw/zinc/64/75/53/1147647553.db2.gz JWHICMXMCOUSHR-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317078694 1147657069 /nfs/dbraw/zinc/65/70/69/1147657069.db2.gz QGEVYEZQFUVRFL-BZSNNMDCSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001317099376 1147659346 /nfs/dbraw/zinc/65/93/46/1147659346.db2.gz CBDOBWKKZXXHSL-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317138688 1147665135 /nfs/dbraw/zinc/66/51/35/1147665135.db2.gz VBGBKNFIAMHYEK-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317205865 1147676532 /nfs/dbraw/zinc/67/65/32/1147676532.db2.gz FSLZUIFFZPPGRF-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317534310 1147721879 /nfs/dbraw/zinc/72/18/79/1147721879.db2.gz ARVCCRJOMDZVJN-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001317685181 1147743961 /nfs/dbraw/zinc/74/39/61/1147743961.db2.gz FYADOOGLCHEAIP-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317852829 1147757810 /nfs/dbraw/zinc/75/78/10/1147757810.db2.gz INRAPQLFXRALPG-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001318233196 1147802216 /nfs/dbraw/zinc/80/22/16/1147802216.db2.gz SJMUCGWZESKBRF-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325897212 1148015649 /nfs/dbraw/zinc/01/56/49/1148015649.db2.gz JQUIZCJRHYMEGV-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001326271755 1148066927 /nfs/dbraw/zinc/06/69/27/1148066927.db2.gz CDKQCJGXQJRWCG-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001326479274 1148109189 /nfs/dbraw/zinc/10/91/89/1148109189.db2.gz GWGMUCOUMGMMNT-HNNXBMFYSA-N 2 0 315.461 2.481 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001368101041 1148226319 /nfs/dbraw/zinc/22/63/19/1148226319.db2.gz DVXFVDOUPODUPZ-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP CNC(NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)=[NH+]C ZINC000264077272 529836543 /nfs/dbraw/zinc/83/65/43/529836543.db2.gz GFICCNBEFMJKSK-GASCZTMLSA-N 2 0 302.466 2.459 20 30 DEEDRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000194262508 186274399 /nfs/dbraw/zinc/27/43/99/186274399.db2.gz BNWMXQNIPHGBQO-LPHOPBHVSA-N 2 0 314.477 2.481 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(Cl)c(C#N)n1 ZINC000081010247 355400713 /nfs/dbraw/zinc/40/07/13/355400713.db2.gz LLVIORJBUAEUHU-UHFFFAOYSA-N 2 0 323.872 2.316 20 30 DEEDRP CC(C)C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000083030692 355461684 /nfs/dbraw/zinc/46/16/84/355461684.db2.gz JQFYNMALBNZCKS-GOEBONIOSA-N 2 0 318.465 2.391 20 30 DEEDRP N#Cc1sccc1N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000595902033 358575927 /nfs/dbraw/zinc/57/59/27/358575927.db2.gz FFZQRORHIWMDML-AWEZNQCLSA-N 2 0 304.463 2.131 20 30 DEEDRP N#CCN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000610812914 361471310 /nfs/dbraw/zinc/47/13/10/361471310.db2.gz PBUZFJHRMYUGHO-UHFFFAOYSA-N 2 0 304.482 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000106331676 194197993 /nfs/dbraw/zinc/19/79/93/194197993.db2.gz PWKCHUOJTZUVMT-INIZCTEOSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523168 184015170 /nfs/dbraw/zinc/01/51/70/184015170.db2.gz HGTYJRJDVCOYNF-INIZCTEOSA-N 2 0 307.482 2.239 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000289384994 285281665 /nfs/dbraw/zinc/28/16/65/285281665.db2.gz CZUICOKHMSCZEO-IBGZPJMESA-N 2 0 314.477 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000111495929 401717073 /nfs/dbraw/zinc/71/70/73/401717073.db2.gz YIDXNIRKKKIGNR-QGZVFWFLSA-N 2 0 322.497 2.201 20 30 DEEDRP CN(C)C(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000134548961 401905938 /nfs/dbraw/zinc/90/59/38/401905938.db2.gz MYSJQDHVHILSFD-FZMZJTMJSA-N 2 0 312.820 2.348 20 30 DEEDRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000119642529 401962189 /nfs/dbraw/zinc/96/21/89/401962189.db2.gz VJPBEEOHBIHFFV-UHFFFAOYSA-N 2 0 300.450 2.066 20 30 DEEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465628 402125633 /nfs/dbraw/zinc/12/56/33/402125633.db2.gz IXFWIFKKFVLSSK-KRWDZBQOSA-N 2 0 300.450 2.468 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(Cl)c1 ZINC000153393337 402142257 /nfs/dbraw/zinc/14/22/57/402142257.db2.gz GTRIQELOUUHRJN-CYBMUJFWSA-N 2 0 324.856 2.237 20 30 DEEDRP CN(C)C(=[NH+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000104180782 402199664 /nfs/dbraw/zinc/19/96/64/402199664.db2.gz RLWQHPYEYAXVLD-CQSZACIVSA-N 2 0 308.495 2.439 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158719923 402310538 /nfs/dbraw/zinc/31/05/38/402310538.db2.gz CVPUBASYSCRNPF-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cccc(F)c1C#N ZINC000176820362 402340559 /nfs/dbraw/zinc/34/05/59/402340559.db2.gz UEARSJYNUJDQGR-UHFFFAOYSA-N 2 0 306.429 2.407 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1(C[NH3+])CCCC1)C(C)C ZINC000236677870 402373113 /nfs/dbraw/zinc/37/31/13/402373113.db2.gz OKTYRNBWPILTNW-MRXNPFEDSA-N 2 0 307.482 2.320 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000236689443 402374662 /nfs/dbraw/zinc/37/46/62/402374662.db2.gz ZJCWNDAESHKONM-SJLPKXTDSA-N 2 0 307.482 2.191 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1csc(CN)n1)C(C)C ZINC000178706795 402528795 /nfs/dbraw/zinc/52/87/95/402528795.db2.gz APMAZAGCLPUVFC-AWEZNQCLSA-N 2 0 322.478 2.030 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000170908643 402540442 /nfs/dbraw/zinc/54/04/42/402540442.db2.gz AMVSDRYOHTUUMF-UHFFFAOYSA-N 2 0 318.465 2.222 20 30 DEEDRP CC1CCN(C(=[NH2+])NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000179712551 402599003 /nfs/dbraw/zinc/59/90/03/402599003.db2.gz KNNWWOPMNRCQHC-UHFFFAOYSA-N 2 0 315.465 2.345 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)N1 ZINC000262639648 402728683 /nfs/dbraw/zinc/72/86/83/402728683.db2.gz HNQYFNZPQIZIGS-LSDHHAIUSA-N 2 0 300.450 2.498 20 30 DEEDRP C[NH+]1CCN(c2cc(C[NH2+]CC(C)(C)CCC#N)ccn2)CC1 ZINC000174274130 402735066 /nfs/dbraw/zinc/73/50/66/402735066.db2.gz BGSIILFBVKNBQS-UHFFFAOYSA-N 2 0 315.465 2.253 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000262334892 402724593 /nfs/dbraw/zinc/72/45/93/402724593.db2.gz ZANUKXNTOANBPX-YESZJQIVSA-N 2 0 307.482 2.319 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc2[nH]ccc2c1 ZINC000281818709 403095017 /nfs/dbraw/zinc/09/50/17/403095017.db2.gz QWQGIIDVVWSLRU-INIZCTEOSA-N 2 0 313.449 2.099 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@H+](C)CC1)C(C)C ZINC000298654602 403433590 /nfs/dbraw/zinc/43/35/90/403433590.db2.gz GFMXTGZTRUZQIP-QGZVFWFLSA-N 2 0 322.497 2.032 20 30 DEEDRP CN(CCC[N@H+](C)Cc1cc(C#N)ccc1F)CC[NH+](C)C ZINC000288779899 403767192 /nfs/dbraw/zinc/76/71/92/403767192.db2.gz BPMLLSYHTBRLDH-UHFFFAOYSA-N 2 0 306.429 2.013 20 30 DEEDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC1(C#N)CCCCC1 ZINC000411427543 403853440 /nfs/dbraw/zinc/85/34/40/403853440.db2.gz OANVMEPWVLAYBK-UHFFFAOYSA-N 2 0 306.498 2.420 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000355932917 404378524 /nfs/dbraw/zinc/37/85/24/404378524.db2.gz DRRMMNQHYXCQCI-UHFFFAOYSA-N 2 0 324.513 2.397 20 30 DEEDRP C=CCC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000356064718 404389699 /nfs/dbraw/zinc/38/96/99/404389699.db2.gz IPUWEGQSTHGYHQ-CVEARBPZSA-N 2 0 319.449 2.464 20 30 DEEDRP C[C@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378310747 404924736 /nfs/dbraw/zinc/92/47/36/404924736.db2.gz CXDNWILBERIMGZ-IRXDYDNUSA-N 2 0 306.498 2.274 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000424129988 405016812 /nfs/dbraw/zinc/01/68/12/405016812.db2.gz DUVORUMPKNOXNH-KBPBESRZSA-N 2 0 320.462 2.022 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000417059166 405022120 /nfs/dbraw/zinc/02/21/20/405022120.db2.gz HLXVGOXVROZKBO-WMZOPIPTSA-N 2 0 322.497 2.065 20 30 DEEDRP CC(C)[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CC[NH+](C)CC1 ZINC000421332011 405464713 /nfs/dbraw/zinc/46/47/13/405464713.db2.gz KZADDMOROJKRTP-GOSISDBHSA-N 2 0 318.440 2.059 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)C(C)C ZINC000423330758 405763927 /nfs/dbraw/zinc/76/39/27/405763927.db2.gz GEWQWUKYSQYXRZ-IXDOHACOSA-N 2 0 307.482 2.189 20 30 DEEDRP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000490838530 406496893 /nfs/dbraw/zinc/49/68/93/406496893.db2.gz CGOCYOZSNKMTRA-UHFFFAOYSA-N 2 0 319.493 2.243 20 30 DEEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC2=[NH+]CCN2C)cc1 ZINC000262669213 225280617 /nfs/dbraw/zinc/28/06/17/225280617.db2.gz QHJXXGVELBFYSQ-HNNXBMFYSA-N 2 0 300.450 2.452 20 30 DEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657872340 425413101 /nfs/dbraw/zinc/41/31/01/425413101.db2.gz NCNNFCMIQCMJKQ-BRWVUGGUSA-N 2 0 307.482 2.298 20 30 DEEDRP C=CC[C@]1(C(=O)NCc2cccc(C[NH+](C)C)c2)CCC[NH2+]1 ZINC000662674294 425709321 /nfs/dbraw/zinc/70/93/21/425709321.db2.gz ZTNMMWGHIZKNAL-GOSISDBHSA-N 2 0 301.434 2.063 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662678366 425710891 /nfs/dbraw/zinc/71/08/91/425710891.db2.gz FSTPHSHWFPHXIW-SJLPKXTDSA-N 2 0 319.424 2.243 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])C(C)C ZINC000417061749 276891396 /nfs/dbraw/zinc/89/13/96/276891396.db2.gz LETMOPGISFWKNZ-IAGOWNOFSA-N 2 0 322.497 2.208 20 30 DEEDRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339057960 277609339 /nfs/dbraw/zinc/60/93/39/277609339.db2.gz JSKMHFFUGHIUGQ-SJLPKXTDSA-N 2 0 304.482 2.169 20 30 DEEDRP CNC(NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)=[NH+]C ZINC000122480086 277749378 /nfs/dbraw/zinc/74/93/78/277749378.db2.gz NDBMSLUVDBAUTE-HUUCEWRRSA-N 2 0 302.466 2.459 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000417059163 277850901 /nfs/dbraw/zinc/85/09/01/277850901.db2.gz HLXVGOXVROZKBO-AEFFLSMTSA-N 2 0 322.497 2.065 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262459907 278167496 /nfs/dbraw/zinc/16/74/96/278167496.db2.gz MDHFXSOEJMAFSS-SJORKVTESA-N 2 0 322.497 2.081 20 30 DEEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000304811489 293017673 /nfs/dbraw/zinc/01/76/73/293017673.db2.gz XGBUKWKKURDHEK-YDHLFZDLSA-N 2 0 324.494 2.070 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001376601453 1159590565 /nfs/dbraw/zinc/59/05/65/1159590565.db2.gz IXVTWIAGPJTKNE-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001378472356 1152341650 /nfs/dbraw/zinc/34/16/50/1152341650.db2.gz WORKVCKFQYSDGG-INIZCTEOSA-N 2 0 323.868 2.485 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)C(C)C ZINC000417063855 500577137 /nfs/dbraw/zinc/57/71/37/500577137.db2.gz NWVGEJGFBZDHQV-DLBZAZTESA-N 2 0 322.497 2.078 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001399375174 1161368510 /nfs/dbraw/zinc/36/85/10/1161368510.db2.gz KODNRLUGHYSRGM-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001327491447 1148568150 /nfs/dbraw/zinc/56/81/50/1148568150.db2.gz AELIEINASWHGIH-SFHVURJKSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCNC(NCC1([NH+]2CCSCC2)CCCCC1)=[NH+]C ZINC000263122164 526386526 /nfs/dbraw/zinc/38/65/26/526386526.db2.gz RJCNOBOXMAGQSH-UHFFFAOYSA-N 2 0 310.511 2.089 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000247777483 526436460 /nfs/dbraw/zinc/43/64/60/526436460.db2.gz RASMFLQOEFRPFQ-CVEARBPZSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C(C)C ZINC000422838612 527650817 /nfs/dbraw/zinc/65/08/17/527650817.db2.gz XTICXQKQKKIBNF-WNRNVDISSA-N 2 0 309.498 2.027 20 30 DEEDRP CC[NH+](CC)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266976202 528092032 /nfs/dbraw/zinc/09/20/32/528092032.db2.gz JPANHKQIYDRQTB-UHFFFAOYSA-N 2 0 316.371 2.452 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001327940770 1148681583 /nfs/dbraw/zinc/68/15/83/1148681583.db2.gz CUILEXXJRAUWAP-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023467919 625283385 /nfs/dbraw/zinc/28/33/85/625283385.db2.gz DVWWLPACLWGMIF-OAHLLOKOSA-N 2 0 312.417 2.352 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023468032 625283804 /nfs/dbraw/zinc/28/38/04/625283804.db2.gz HTAWNARXUFITQU-HNNXBMFYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293755 625327258 /nfs/dbraw/zinc/32/72/58/625327258.db2.gz FVOPLHJBCZENEH-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450050 625444888 /nfs/dbraw/zinc/44/48/88/625444888.db2.gz CKRUARAWZXWEQJ-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025458756 625451949 /nfs/dbraw/zinc/45/19/49/625451949.db2.gz CKDDRNJJYLFTCW-GDBMZVCRSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680515 622879753 /nfs/dbraw/zinc/87/97/53/622879753.db2.gz NDUSVTAZZBDLMN-HZPDHXFCSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000970224225 623345750 /nfs/dbraw/zinc/34/57/50/623345750.db2.gz UGBJODDVZQXLCL-HNNXBMFYSA-N 2 0 324.428 2.499 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529844 623523745 /nfs/dbraw/zinc/52/37/45/623523745.db2.gz TYUQJLXHPBOUAU-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024761459 625042699 /nfs/dbraw/zinc/04/26/99/625042699.db2.gz GUMXEQNKKJEKFI-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957202 625117104 /nfs/dbraw/zinc/11/71/04/625117104.db2.gz MOJUZNTZDSJEHC-IXDOHACOSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023402662 625254792 /nfs/dbraw/zinc/25/47/92/625254792.db2.gz QKUAZRXWHVUIGN-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999169838 634505627 /nfs/dbraw/zinc/50/56/27/634505627.db2.gz UWAYROPEWIAGKU-JCYILVPMSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999505456 634613193 /nfs/dbraw/zinc/61/31/93/634613193.db2.gz JNEDSWIHOZINMD-OFLPRAFFSA-N 2 0 307.482 2.404 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995791503 633122493 /nfs/dbraw/zinc/12/24/93/633122493.db2.gz HXKQNYHWPRFBRR-CVEARBPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686885 633235616 /nfs/dbraw/zinc/23/56/16/633235616.db2.gz YJRKMNUVAXDHDJ-DLBZAZTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974766928 633293405 /nfs/dbraw/zinc/29/34/05/633293405.db2.gz LGNMPHPMVAPYCJ-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000997001622 633557865 /nfs/dbraw/zinc/55/78/65/633557865.db2.gz KHXINEUXORDENY-UHFFFAOYSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000997094003 633576179 /nfs/dbraw/zinc/57/61/79/633576179.db2.gz OBQQXEZYIXPEFY-HYVNUMGLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492014 633887008 /nfs/dbraw/zinc/88/70/08/633887008.db2.gz FNUKZQIZJKPRHD-QGZVFWFLSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168298 634872935 /nfs/dbraw/zinc/87/29/35/634872935.db2.gz MNDVUCAHEOCUEV-BBWFWOEESA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000980475432 635015396 /nfs/dbraw/zinc/01/53/96/635015396.db2.gz FYSQOKKGJOLHLM-HUUCEWRRSA-N 2 0 313.873 2.146 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486914 635018561 /nfs/dbraw/zinc/01/85/61/635018561.db2.gz XAJUTMJOERDYON-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP CSc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1C#N ZINC000925774517 635046158 /nfs/dbraw/zinc/04/61/58/635046158.db2.gz WEFURRJCBOHEFK-KCPJHIHWSA-N 2 0 305.447 2.122 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003003 635214072 /nfs/dbraw/zinc/21/40/72/635214072.db2.gz JSIVHJDJVNXSCO-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC001000778986 635307629 /nfs/dbraw/zinc/30/76/29/635307629.db2.gz VDPHRIYIWPZCFI-MRXNPFEDSA-N 2 0 314.433 2.085 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000951791 635367409 /nfs/dbraw/zinc/36/74/09/635367409.db2.gz ZOKHYWTUESTANP-UHFFFAOYSA-N 2 0 310.401 2.272 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001084914 635402803 /nfs/dbraw/zinc/40/28/03/635402803.db2.gz DJRIPDIDFPPXDA-RDJZCZTQSA-N 2 0 305.466 2.041 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001420090 635493832 /nfs/dbraw/zinc/49/38/32/635493832.db2.gz FLNFHWFKLMQOIR-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001001466427 635501920 /nfs/dbraw/zinc/50/19/20/635501920.db2.gz HKIKJSOOKOLTKK-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098619 635513881 /nfs/dbraw/zinc/51/38/81/635513881.db2.gz SWAYQYVKWPKNAC-SOUVJXGZSA-N 2 0 313.873 2.050 20 30 DEEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000981540779 635523042 /nfs/dbraw/zinc/52/30/42/635523042.db2.gz GCUUWXQBEMKVAA-IAGOWNOFSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981805703 635662594 /nfs/dbraw/zinc/66/25/94/635662594.db2.gz ICECMSBTZUOTJN-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981964225 635772672 /nfs/dbraw/zinc/77/26/72/635772672.db2.gz YCNMUDFPXMKPQA-UHFFFAOYSA-N 2 0 315.461 2.125 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081609 635862781 /nfs/dbraw/zinc/86/27/81/635862781.db2.gz UQLBLZKDJDHIMP-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000982081024 635862977 /nfs/dbraw/zinc/86/29/77/635862977.db2.gz FVWJKADARZQAJG-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP CC[NH+]1CCC(CCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000178573064 635939712 /nfs/dbraw/zinc/93/97/12/635939712.db2.gz GIPWJOOCUNEEJF-UHFFFAOYSA-N 2 0 302.466 2.255 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297575 635953968 /nfs/dbraw/zinc/95/39/68/635953968.db2.gz NDFJQBHYHKCQQE-KDURUIRLSA-N 2 0 319.493 2.217 20 30 DEEDRP CC[NH+](CC)CC[C@@H](CO)NCc1c(C)cc(C#N)cc1C ZINC000922220871 636009921 /nfs/dbraw/zinc/00/99/21/636009921.db2.gz DCYBYESXPDMRLE-KRWDZBQOSA-N 2 0 303.450 2.358 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946598054 636373060 /nfs/dbraw/zinc/37/30/60/636373060.db2.gz VXLSOWPTGVOUTG-XWTMOSNGSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001005568845 636780688 /nfs/dbraw/zinc/78/06/88/636780688.db2.gz IDSGYUVRNHJOMM-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006083540 637181658 /nfs/dbraw/zinc/18/16/58/637181658.db2.gz HOHMKWBQJXHKEW-GOSISDBHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000985646072 639558610 /nfs/dbraw/zinc/55/86/10/639558610.db2.gz GWQJDAHEUYVYDY-CQSZACIVSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000987288500 640157345 /nfs/dbraw/zinc/15/73/45/640157345.db2.gz BKIQPQHJMQSPHS-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483228 641121017 /nfs/dbraw/zinc/12/10/17/641121017.db2.gz PSZWBKFTLQDTDE-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483824 641121964 /nfs/dbraw/zinc/12/19/64/641121964.db2.gz YDAQYEVEEKNDKI-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829539 641244269 /nfs/dbraw/zinc/24/42/69/641244269.db2.gz SWFLBDMQMIFKBX-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C#C[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CCCO1 ZINC000775572073 642061068 /nfs/dbraw/zinc/06/10/68/642061068.db2.gz OSKDVNAOYISPAB-AYOQOUSVSA-N 2 0 316.445 2.458 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000899957130 642222706 /nfs/dbraw/zinc/22/27/06/642222706.db2.gz IIRLRRYXACLMLJ-MRXNPFEDSA-N 2 0 319.449 2.431 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000900191710 642286366 /nfs/dbraw/zinc/28/63/66/642286366.db2.gz UMEHVVQKUNRDHU-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000900219300 642294182 /nfs/dbraw/zinc/29/41/82/642294182.db2.gz SKIIWFDOVMOGMU-HOTGVXAUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000900260365 642305403 /nfs/dbraw/zinc/30/54/03/642305403.db2.gz DLFMUHHVWVVLOK-UHFFFAOYSA-N 2 0 317.477 2.127 20 30 DEEDRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902796946 643148471 /nfs/dbraw/zinc/14/84/71/643148471.db2.gz XAZQXVDFZLDWFQ-CRAIPNDOSA-N 2 0 300.450 2.235 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000907403124 644532193 /nfs/dbraw/zinc/53/21/93/644532193.db2.gz DOZCWQLGVKSFAQ-AEFFLSMTSA-N 2 0 315.461 2.131 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000907449581 644557359 /nfs/dbraw/zinc/55/73/59/644557359.db2.gz XNKZFIHZSOATGM-WBVHZDCISA-N 2 0 303.450 2.302 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000171411986 646699236 /nfs/dbraw/zinc/69/92/36/646699236.db2.gz MARQKPKLHRLZDT-HNNXBMFYSA-N 2 0 306.454 2.455 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992284823 646929751 /nfs/dbraw/zinc/92/97/51/646929751.db2.gz LZEFNMBTGBFOFA-MJGOQNOKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001388794212 1155090181 /nfs/dbraw/zinc/09/01/81/1155090181.db2.gz IQIHXCZOAWPOEN-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000817919749 647382031 /nfs/dbraw/zinc/38/20/31/647382031.db2.gz VTVWNUUMPXKDBM-MOIQIXESSA-N 2 0 317.433 2.209 20 30 DEEDRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819043256 647571100 /nfs/dbraw/zinc/57/11/00/647571100.db2.gz QTRGZAZUCMFXMU-SFHVURJKSA-N 2 0 301.434 2.446 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761262 647741256 /nfs/dbraw/zinc/74/12/56/647741256.db2.gz OKTJQIIVPFIQTM-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598438 649256943 /nfs/dbraw/zinc/25/69/43/649256943.db2.gz XNBJSBVVDYSIRS-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824641 649291020 /nfs/dbraw/zinc/29/10/20/649291020.db2.gz YGZZXEMIJROKGN-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000853132369 652507734 /nfs/dbraw/zinc/50/77/34/652507734.db2.gz SLHRZBIHUUXGGJ-IBGZPJMESA-N 2 0 313.445 2.303 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001393057276 1157638476 /nfs/dbraw/zinc/63/84/76/1157638476.db2.gz VPPGPTJQBYHBDM-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP CCc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000304761773 685259883 /nfs/dbraw/zinc/25/98/83/685259883.db2.gz UVPONBBVIRIRQG-QGZVFWFLSA-N 2 0 302.466 2.180 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129742 693856568 /nfs/dbraw/zinc/85/65/68/693856568.db2.gz YOYJDFGCNZLUNY-IEBWSBKVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054141558 693861304 /nfs/dbraw/zinc/86/13/04/693861304.db2.gz MGYLTLBJXZLASV-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054144970 693862036 /nfs/dbraw/zinc/86/20/36/693862036.db2.gz GBIDCERMYAKERU-MJGOQNOKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054197910 693880048 /nfs/dbraw/zinc/88/00/48/693880048.db2.gz LNUKSHSIIQTEKC-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302340 685036745 /nfs/dbraw/zinc/03/67/45/685036745.db2.gz LBLCXPCJDHFCNO-HRCADAONSA-N 2 0 304.413 2.070 20 30 DEEDRP [NH2+]=C(NCC1CCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195290832 685093739 /nfs/dbraw/zinc/09/37/39/685093739.db2.gz WIBRNLJDQYZRKU-KRWDZBQOSA-N 2 0 300.450 2.213 20 30 DEEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])NCC(C)C)Cc1ccccc1 ZINC000303876100 685236839 /nfs/dbraw/zinc/23/68/39/685236839.db2.gz DPWSZFXIBOBYEK-KRWDZBQOSA-N 2 0 304.482 2.500 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000303883873 685237384 /nfs/dbraw/zinc/23/73/84/685237384.db2.gz IVNRBKORMQJLGT-HNNXBMFYSA-N 2 0 317.481 2.002 20 30 DEEDRP CCc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(C)CC2)cc1 ZINC000303902185 685240258 /nfs/dbraw/zinc/24/02/58/685240258.db2.gz SZURRBAFUPPBIU-UHFFFAOYSA-N 2 0 317.481 2.003 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000303909309 685240331 /nfs/dbraw/zinc/24/03/31/685240331.db2.gz YCBJOHZHLWKVNX-SJORKVTESA-N 2 0 314.477 2.495 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000929698854 694008800 /nfs/dbraw/zinc/00/88/00/694008800.db2.gz AWCWTROMOFQYFH-KRWDZBQOSA-N 2 0 313.445 2.270 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001054646672 694014788 /nfs/dbraw/zinc/01/47/88/694014788.db2.gz CIQJQWPXZLTNBV-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP Cc1cc([N-][NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC000863159552 686439215 /nfs/dbraw/zinc/43/92/15/686439215.db2.gz WHYWMYLRNUGNRU-UHFFFAOYSA-N 2 0 309.417 2.010 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016322812 687591960 /nfs/dbraw/zinc/59/19/60/687591960.db2.gz LRRCFSQVRYWKFI-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016332245 687594803 /nfs/dbraw/zinc/59/48/03/687594803.db2.gz DKGQDXRWORRMPW-INIZCTEOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017767107 687955842 /nfs/dbraw/zinc/95/58/42/687955842.db2.gz HHWPXLXYOSUYMX-FGTMMUONSA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001019190628 688296855 /nfs/dbraw/zinc/29/68/55/688296855.db2.gz NZLJODBJKGNLAV-KRWDZBQOSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000368 688548165 /nfs/dbraw/zinc/54/81/65/688548165.db2.gz BZWXQNJFICBWGM-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155969 688940606 /nfs/dbraw/zinc/94/06/06/688940606.db2.gz BPKKXIQWZKDNHG-ZOBUZTSGSA-N 2 0 307.482 2.297 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033354055 689474142 /nfs/dbraw/zinc/47/41/42/689474142.db2.gz MJWMYKBQAIIFTP-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033549081 689538788 /nfs/dbraw/zinc/53/87/88/689538788.db2.gz VDFLNFIUVIGFHI-QGZVFWFLSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033575371 689548674 /nfs/dbraw/zinc/54/86/74/689548674.db2.gz RBMIFJRGPUTABK-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577095 689549576 /nfs/dbraw/zinc/54/95/76/689549576.db2.gz ZEAMEPOLQBINOA-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCCC)C2)CC1 ZINC001034045840 689705329 /nfs/dbraw/zinc/70/53/29/689705329.db2.gz NTFZCLYZPJBONP-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000876735925 689921303 /nfs/dbraw/zinc/92/13/03/689921303.db2.gz JXHUSDRIBNAKRW-HNNXBMFYSA-N 2 0 309.841 2.224 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001034778340 689946116 /nfs/dbraw/zinc/94/61/16/689946116.db2.gz JDYPQFZXYRSVNI-IYARVYRRSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035725088 690161572 /nfs/dbraw/zinc/16/15/72/690161572.db2.gz FPRPNKKAUXRHLD-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035733307 690163530 /nfs/dbraw/zinc/16/35/30/690163530.db2.gz YIMMNYNFQXTPLO-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000877746615 690214018 /nfs/dbraw/zinc/21/40/18/690214018.db2.gz UBKFJYRVVQNRDW-UHFFFAOYSA-N 2 0 312.461 2.079 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736271 690452127 /nfs/dbraw/zinc/45/21/27/690452127.db2.gz XNJMRPISLXHTQG-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036763180 690464375 /nfs/dbraw/zinc/46/43/75/690464375.db2.gz WPKLRWXNAZWZIW-FUHWJXTLSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001037886944 690633058 /nfs/dbraw/zinc/63/30/58/690633058.db2.gz VKYGMOXANGORMT-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880262509 690854610 /nfs/dbraw/zinc/85/46/10/690854610.db2.gz NEZGSCJMTSOFSW-HNAYVOBHSA-N 2 0 322.412 2.197 20 30 DEEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001039269621 691072853 /nfs/dbraw/zinc/07/28/53/691072853.db2.gz TVLWSORIWKKZIB-HMQMGEFJSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001039307765 691078242 /nfs/dbraw/zinc/07/82/42/691078242.db2.gz YBZIJIWQQYKDJX-MGNMYUMUSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039474251 691114921 /nfs/dbraw/zinc/11/49/21/691114921.db2.gz YUCGHAWSKLQUHJ-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380774 691239764 /nfs/dbraw/zinc/23/97/64/691239764.db2.gz UVFACTQTXHDQPI-IEBWSBKVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845661 691444200 /nfs/dbraw/zinc/44/42/00/691444200.db2.gz MLFLDGZEEBGNCU-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845721 691444598 /nfs/dbraw/zinc/44/45/98/691444598.db2.gz OSICJIRNLLDNEF-IEBWSBKVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000883172460 691447842 /nfs/dbraw/zinc/44/78/42/691447842.db2.gz HNZKKNIZYLWYPO-SQNIBIBYSA-N 2 0 309.498 2.116 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000883186597 691452289 /nfs/dbraw/zinc/45/22/89/691452289.db2.gz VHZSQMIKDHNJIB-GBESFXJTSA-N 2 0 323.525 2.363 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063533 691496056 /nfs/dbraw/zinc/49/60/56/691496056.db2.gz YNYFLAYSTTUAMC-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042132743 691517138 /nfs/dbraw/zinc/51/71/38/691517138.db2.gz HUYGMEIJHJKDTJ-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156063 691524519 /nfs/dbraw/zinc/52/45/19/691524519.db2.gz GKBGHXLZFHINNG-YJBOKZPZSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186616 691531829 /nfs/dbraw/zinc/53/18/29/691531829.db2.gz IPQCRJUECCLWAJ-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)C(C)C ZINC000884192140 691678854 /nfs/dbraw/zinc/67/88/54/691678854.db2.gz XDKLISFPHRFLNN-HOTGVXAUSA-N 2 0 307.482 2.047 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044734966 691879812 /nfs/dbraw/zinc/87/98/12/691879812.db2.gz YJUXAIMEXFSSPG-DZGCQCFKSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045443598 691981898 /nfs/dbraw/zinc/98/18/98/691981898.db2.gz SITBTSWYLPIANT-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967523 692064441 /nfs/dbraw/zinc/06/44/41/692064441.db2.gz WUIWMRGPVLUWPL-PKOBYXMFSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045984433 692068491 /nfs/dbraw/zinc/06/84/91/692068491.db2.gz AIACLHCWYTYTEI-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045984435 692068686 /nfs/dbraw/zinc/06/86/86/692068686.db2.gz AIACLHCWYTYTEI-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045984707 692069639 /nfs/dbraw/zinc/06/96/39/692069639.db2.gz HFGSROJXVZMROF-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047257885 692402973 /nfs/dbraw/zinc/40/29/73/692402973.db2.gz VOBVDADWIYGUFH-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP 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 692648474 /nfs/dbraw/zinc/64/84/74/692648474.db2.gz RXBHRDMINBKNBA-JCECYMMASA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048907500 692720003 /nfs/dbraw/zinc/72/00/03/692720003.db2.gz YUQQUPQFGXXPKE-IYBDPMFKSA-N 2 0 324.428 2.223 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049464587 692890215 /nfs/dbraw/zinc/89/02/15/692890215.db2.gz NWGROOJXYNQLTB-GVDBMIGSSA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049482256 692896921 /nfs/dbraw/zinc/89/69/21/692896921.db2.gz LMYPYNVWFDTQRV-XWTMOSNGSA-N 2 0 319.493 2.358 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925725273 693330472 /nfs/dbraw/zinc/33/04/72/693330472.db2.gz IJDMMUZQVPWVSF-SFHVURJKSA-N 2 0 310.445 2.401 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651728 693588440 /nfs/dbraw/zinc/58/84/40/693588440.db2.gz MNTIHXKTJKGDDH-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052713508 693602021 /nfs/dbraw/zinc/60/20/21/693602021.db2.gz YOJKSHDRJDBAFN-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001332409694 1149857790 /nfs/dbraw/zinc/85/77/90/1149857790.db2.gz OFIYTOSHLWNVCW-IRXDYDNUSA-N 2 0 319.424 2.195 20 30 DEEDRP C=C(Cl)CN(C)CCCN(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001402655222 1162430306 /nfs/dbraw/zinc/43/03/06/1162430306.db2.gz LIHFZBNMCRZHTI-CQSZACIVSA-N 2 0 312.845 2.367 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001391848379 1156815834 /nfs/dbraw/zinc/81/58/34/1156815834.db2.gz ZCCQNQGTURLKCO-OAHLLOKOSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001393745273 1157945827 /nfs/dbraw/zinc/94/58/27/1157945827.db2.gz QUUJZAFEKUXGBB-HIFRSBDPSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001393970287 1158110302 /nfs/dbraw/zinc/11/03/02/1158110302.db2.gz CDMNZRDNQRUBAH-CHWSQXEVSA-N 2 0 303.878 2.200 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001394024089 1158171828 /nfs/dbraw/zinc/17/18/28/1158171828.db2.gz YGNZRLPUTVFXOC-UHFFFAOYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001397226801 1160065737 /nfs/dbraw/zinc/06/57/37/1160065737.db2.gz NJXSZMLJWWEIHP-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001401327844 1161933096 /nfs/dbraw/zinc/93/30/96/1161933096.db2.gz VZAYMJWOIVDOSD-SOUVJXGZSA-N 2 0 315.889 2.200 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001401719621 1162090354 /nfs/dbraw/zinc/09/03/54/1162090354.db2.gz AFIJLFWZVFGPRI-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)CC ZINC001401832082 1162148135 /nfs/dbraw/zinc/14/81/35/1162148135.db2.gz USPAOCSCFUQWMM-CABCVRRESA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001405839734 1164283035 /nfs/dbraw/zinc/28/30/35/1164283035.db2.gz FMHKSQVKZMQAOI-GFCCVEGCSA-N 2 0 320.824 2.445 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001406721623 1164807843 /nfs/dbraw/zinc/80/78/43/1164807843.db2.gz SRGIBBCSBCURAB-LSDHHAIUSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418441686 1167657893 /nfs/dbraw/zinc/65/78/93/1167657893.db2.gz KJWADTUJXPSDAX-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001419937209 1168961369 /nfs/dbraw/zinc/96/13/69/1168961369.db2.gz SKHBWXQRQACHCI-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001421886273 1172089073 /nfs/dbraw/zinc/08/90/73/1172089073.db2.gz GNGIUPBKACQMEA-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001422991656 1173002810 /nfs/dbraw/zinc/00/28/10/1173002810.db2.gz RDYPYQZNUNUOHU-AWEZNQCLSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001423166226 1173136553 /nfs/dbraw/zinc/13/65/53/1173136553.db2.gz BKHORLMXEUXRAW-GJZGRUSLSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001424383687 1173777536 /nfs/dbraw/zinc/77/75/36/1173777536.db2.gz QUJGMMUNGPDPTM-AWEZNQCLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001425505398 1174343075 /nfs/dbraw/zinc/34/30/75/1174343075.db2.gz IVKYQPJJSRPJPF-HUUCEWRRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001426140346 1174613875 /nfs/dbraw/zinc/61/38/75/1174613875.db2.gz UJBZTRRGLBMKKU-GXTWGEPZSA-N 2 0 315.889 2.201 20 30 DEEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC001434529224 1178783791 /nfs/dbraw/zinc/78/37/91/1178783791.db2.gz UQIFOYIPOFNBIO-QGZVFWFLSA-N 2 0 314.433 2.138 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001438805695 1180818121 /nfs/dbraw/zinc/81/81/21/1180818121.db2.gz QHMGXGWBSFFRDU-CABCVRRESA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001444373605 1183362427 /nfs/dbraw/zinc/36/24/27/1183362427.db2.gz ICYPXRCEUVCDBB-HIFRSBDPSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001448556451 1185292149 /nfs/dbraw/zinc/29/21/49/1185292149.db2.gz AMEBPUZQZJNXNM-HUUCEWRRSA-N 2 0 315.889 2.344 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001448874703 1185444204 /nfs/dbraw/zinc/44/42/04/1185444204.db2.gz SULAYYRKLGPCKS-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C[NH+]=C(NCC1CCOCC1)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000176351469 782353033 /nfs/dbraw/zinc/35/30/33/782353033.db2.gz ULFSOACZNUTSCS-YJBOKZPZSA-N 2 0 324.513 2.089 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001332218715 1149836997 /nfs/dbraw/zinc/83/69/97/1149836997.db2.gz LRTHLIYYKBKGLY-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454305 782440381 /nfs/dbraw/zinc/44/03/81/782440381.db2.gz DZKGNPIALHEMCT-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419427 783088298 /nfs/dbraw/zinc/08/82/98/783088298.db2.gz GKZPSFAJCVEKQG-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947494541 783152923 /nfs/dbraw/zinc/15/29/23/783152923.db2.gz ZBRYDXMFEQHOPE-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493457 783159095 /nfs/dbraw/zinc/15/90/95/783159095.db2.gz XBEFTUNHICGCHD-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898074 783214892 /nfs/dbraw/zinc/21/48/92/783214892.db2.gz RERLUSVXJFCAIU-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001104348338 777095666 /nfs/dbraw/zinc/09/56/66/777095666.db2.gz FEFQJUMBOHTCHG-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114988619 777142655 /nfs/dbraw/zinc/14/26/55/777142655.db2.gz IRPXIPNDVDBDJF-VSZNYVQBSA-N 2 0 321.509 2.365 20 30 DEEDRP COc1cc(CCC#N)c(NC(=[NH2+])SCC[NH3+])cc1OC ZINC001167913809 778650894 /nfs/dbraw/zinc/65/08/94/778650894.db2.gz DZUDAELEXDJOIZ-UHFFFAOYSA-N 2 0 308.407 2.199 20 30 DEEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396706 779375805 /nfs/dbraw/zinc/37/58/05/779375805.db2.gz SUYMRKNJIFMJHL-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041729 779651413 /nfs/dbraw/zinc/65/14/13/779651413.db2.gz GZLRPWPBQODOHJ-WBVHZDCISA-N 2 0 324.428 2.304 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001088358692 780025260 /nfs/dbraw/zinc/02/52/60/780025260.db2.gz ICLASCZLOOZCNE-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001100996645 780717835 /nfs/dbraw/zinc/71/78/35/780717835.db2.gz CRMKECYLHKYZNA-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001105566179 780771207 /nfs/dbraw/zinc/77/12/07/780771207.db2.gz FYGCRGVDSCAWBR-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001105566178 780771340 /nfs/dbraw/zinc/77/13/40/780771340.db2.gz FYGCRGVDSCAWBR-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748548 780934474 /nfs/dbraw/zinc/93/44/74/780934474.db2.gz KDBWHNBIXQRXNG-PBHICJAKSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593305 783517443 /nfs/dbraw/zinc/51/74/43/783517443.db2.gz BXOISUIDYLASKB-INIZCTEOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967376731 783969785 /nfs/dbraw/zinc/96/97/85/783969785.db2.gz JUUKDEGOHUJSJO-RHSMWYFYSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967376732 783970720 /nfs/dbraw/zinc/97/07/20/783970720.db2.gz JUUKDEGOHUJSJO-WMLDXEAASA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986900 784283728 /nfs/dbraw/zinc/28/37/28/784283728.db2.gz PBPOYDBCSZSLIN-QGZVFWFLSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086106697 784413651 /nfs/dbraw/zinc/41/36/51/784413651.db2.gz VBYMGKVYFTTXSV-UXLLHSPISA-N 2 0 305.466 2.064 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968849694 784617166 /nfs/dbraw/zinc/61/71/66/784617166.db2.gz DDGBFYWHFWMCBE-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000968928581 784656261 /nfs/dbraw/zinc/65/62/61/784656261.db2.gz OYHHSSVDPDCXCV-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086478093 784769392 /nfs/dbraw/zinc/76/93/92/784769392.db2.gz HXPIOAXSNHNZFK-SAABIXHNSA-N 2 0 315.461 2.075 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500168 784937364 /nfs/dbraw/zinc/93/73/64/784937364.db2.gz RAQBTQKNKWTSIP-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007619413 784963602 /nfs/dbraw/zinc/96/36/02/784963602.db2.gz MHZVDSYOJCGFSV-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171246872 791120223 /nfs/dbraw/zinc/12/02/23/791120223.db2.gz HOEFDSGBVKKBST-SJLPKXTDSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001091376048 791126136 /nfs/dbraw/zinc/12/61/36/791126136.db2.gz IUAUUYZERNEPEG-UHFFFAOYSA-N 2 0 301.434 2.032 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651099 785975810 /nfs/dbraw/zinc/97/58/10/785975810.db2.gz IYTPJSHQBKIGRP-PMPSAXMXSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001113057536 786383688 /nfs/dbraw/zinc/38/36/88/786383688.db2.gz VSUJYLCCSXPLKR-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001113682930 786758591 /nfs/dbraw/zinc/75/85/91/786758591.db2.gz YRHDZWFWSBMBGS-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265116 787996676 /nfs/dbraw/zinc/99/66/76/787996676.db2.gz IGDLXJJFKNTNMI-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP 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 788020319 /nfs/dbraw/zinc/02/03/19/788020319.db2.gz PDZXRIOXUUDDGK-MLHJIOFPSA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086694555 788193141 /nfs/dbraw/zinc/19/31/41/788193141.db2.gz YBHKFBFZSNPPAA-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950640 788236714 /nfs/dbraw/zinc/23/67/14/788236714.db2.gz OYUBHOQHHNIEDT-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121762 788287866 /nfs/dbraw/zinc/28/78/66/788287866.db2.gz KZCCXBPCCGAPPL-IRXDYDNUSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134493684 788956303 /nfs/dbraw/zinc/95/63/03/788956303.db2.gz NBUFGHVPAAAFPK-OLZOCXBDSA-N 2 0 309.479 2.482 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134819671 789106907 /nfs/dbraw/zinc/10/69/07/789106907.db2.gz CFXIPQVURAANEK-UONOGXRCSA-N 2 0 312.417 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858393 789116683 /nfs/dbraw/zinc/11/66/83/789116683.db2.gz SAQVTHWLAZAJOK-KGLIPLIRSA-N 2 0 313.873 2.240 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001135101350 789199329 /nfs/dbraw/zinc/19/93/29/789199329.db2.gz LHAZZRMFXMVAQA-IRXDYDNUSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170818323 789366556 /nfs/dbraw/zinc/36/65/56/789366556.db2.gz CMNKQSKQJKQNEA-GOSISDBHSA-N 2 0 303.450 2.135 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135610760 789417907 /nfs/dbraw/zinc/41/79/07/789417907.db2.gz ZYGCWDMCJQNDHG-KBPBESRZSA-N 2 0 315.889 2.344 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135900801 789552728 /nfs/dbraw/zinc/55/27/28/789552728.db2.gz BETPJIGBYPLBNJ-CVEARBPZSA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902315 789553358 /nfs/dbraw/zinc/55/33/58/789553358.db2.gz QCNLPHXZILKFBB-HOTGVXAUSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170871748 789564716 /nfs/dbraw/zinc/56/47/16/789564716.db2.gz SGHHHAAWQKMALC-YESZJQIVSA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071599823 789803921 /nfs/dbraw/zinc/80/39/21/789803921.db2.gz AXHXOCPFVGXJTP-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C)CC1 ZINC001146610395 791322808 /nfs/dbraw/zinc/32/28/08/791322808.db2.gz JAJUMIWEHRMCJR-IAGOWNOFSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171330147 791741207 /nfs/dbraw/zinc/74/12/07/791741207.db2.gz RRPSENNTTAAHFI-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477208 791752534 /nfs/dbraw/zinc/75/25/34/791752534.db2.gz MPLPFUOPKRCCGQ-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148651619 791781409 /nfs/dbraw/zinc/78/14/09/791781409.db2.gz KTULUGMYPBAMTK-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086928910 791859128 /nfs/dbraw/zinc/85/91/28/791859128.db2.gz RQOHASGZKTXOED-JKSUJKDBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302050 791974231 /nfs/dbraw/zinc/97/42/31/791974231.db2.gz QYSHCAPTAYERHI-MJGOQNOKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001098996401 792026671 /nfs/dbraw/zinc/02/66/71/792026671.db2.gz FUIMCKKBSUZPSV-DWRORGKVSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099224872 792143706 /nfs/dbraw/zinc/14/37/06/792143706.db2.gz KWEYCTJJBMBXFW-DLBZAZTESA-N 2 0 321.509 2.203 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310148 792166779 /nfs/dbraw/zinc/16/67/79/792166779.db2.gz ILSXFOZANWRAJL-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099544727 792236223 /nfs/dbraw/zinc/23/62/23/792236223.db2.gz UGPLKCFHGSMCHL-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093225542 792295970 /nfs/dbraw/zinc/29/59/70/792295970.db2.gz MSQNIDXMPUPUHQ-NVXWUHKLSA-N 2 0 315.461 2.232 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403353 792631959 /nfs/dbraw/zinc/63/19/59/792631959.db2.gz KYUCGKYAJXMUBF-ADKAHSJRSA-N 2 0 321.509 2.415 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100476390 792675405 /nfs/dbraw/zinc/67/54/05/792675405.db2.gz MBBVCMYJWYUZHY-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100765803 792831798 /nfs/dbraw/zinc/83/17/98/792831798.db2.gz BHWMVKUDRSIEHL-JCYILVPMSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001100855163 792881995 /nfs/dbraw/zinc/88/19/95/792881995.db2.gz TVKWXIILJYETLS-GXOAENINSA-N 2 0 315.461 2.134 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430854 792915732 /nfs/dbraw/zinc/91/57/32/792915732.db2.gz XVXREKTZKUVTDL-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418169 793150176 /nfs/dbraw/zinc/15/01/76/793150176.db2.gz CRFXDVSWXXCAES-SCTDSRPQSA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171922683 793260490 /nfs/dbraw/zinc/26/04/90/793260490.db2.gz ASPZFRWPBGDARB-WMZOPIPTSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001094936088 793480211 /nfs/dbraw/zinc/48/02/11/793480211.db2.gz VPAYKSNAUZAACO-XHSDSOJGSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288555 793560220 /nfs/dbraw/zinc/56/02/20/793560220.db2.gz JLMYREYEOJXLHB-BRWVUGGUSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175573945 794245464 /nfs/dbraw/zinc/24/54/64/794245464.db2.gz RPSUSQCUGYEMLS-IRXDYDNUSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873897 794309009 /nfs/dbraw/zinc/30/90/09/794309009.db2.gz OGCAKMUVQYWCDP-KRWDZBQOSA-N 2 0 307.482 2.006 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001175967988 794322190 /nfs/dbraw/zinc/32/21/90/794322190.db2.gz RXACKXIIOYDZOL-QGZVFWFLSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001111899610 794519920 /nfs/dbraw/zinc/51/99/20/794519920.db2.gz QTKSUDICDOORQY-MPGHIAIKSA-N 2 0 316.449 2.135 20 30 DEEDRP 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 794729394 /nfs/dbraw/zinc/72/93/94/794729394.db2.gz LVHHLTQYEPJRTH-MLHJIOFPSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596381 794833850 /nfs/dbraw/zinc/83/38/50/794833850.db2.gz FCNUYWFYKWSTAF-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730239 794899255 /nfs/dbraw/zinc/89/92/55/794899255.db2.gz GQLQIJRMVGDKCS-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483539 794935148 /nfs/dbraw/zinc/93/51/48/794935148.db2.gz CLTFCSFNNGXJME-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179591250 795139641 /nfs/dbraw/zinc/13/96/41/795139641.db2.gz RJDVEMZUMMMOIA-DLBZAZTESA-N 2 0 309.498 2.417 20 30 DEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068789 795235076 /nfs/dbraw/zinc/23/50/76/795235076.db2.gz OTJZGKZZPIVYGY-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180208336 795257025 /nfs/dbraw/zinc/25/70/25/795257025.db2.gz WHLXHDWQDUUFCP-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180372544 795293070 /nfs/dbraw/zinc/29/30/70/795293070.db2.gz ARYMNYCQILLIJB-QGZVFWFLSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)CN(C)Cc1ccccc1 ZINC001180452378 795310211 /nfs/dbraw/zinc/31/02/11/795310211.db2.gz TYPWLJDTHYAWJM-UHFFFAOYSA-N 2 0 315.461 2.018 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120016331 795392061 /nfs/dbraw/zinc/39/20/61/795392061.db2.gz QCNVFVZYSOPDJF-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001120159338 795414341 /nfs/dbraw/zinc/41/43/41/795414341.db2.gz SSRJTMLUDWNTOW-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736342 795536915 /nfs/dbraw/zinc/53/69/15/795536915.db2.gz NPLIVJCPAKYALR-CRAIPNDOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001181780869 795538688 /nfs/dbraw/zinc/53/86/88/795538688.db2.gz CHVZXUUCIVSDCZ-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121261465 795608788 /nfs/dbraw/zinc/60/87/88/795608788.db2.gz WHRPGZFKXHVWCL-APUKJBRXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121702287 795676359 /nfs/dbraw/zinc/67/63/59/795676359.db2.gz ARCCBLJHGDYXIJ-XOGYLQAWSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001121784737 795687628 /nfs/dbraw/zinc/68/76/28/795687628.db2.gz ILZGETJQTMOGOY-JNJRBNHSSA-N 2 0 313.873 2.096 20 30 DEEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001182599626 795718047 /nfs/dbraw/zinc/71/80/47/795718047.db2.gz YJHBWUVLVWQLLD-ZHALLVOQSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001182599286 795718447 /nfs/dbraw/zinc/71/84/47/795718447.db2.gz UHOCXQGBZYZKCX-SOLBZPMBSA-N 2 0 309.498 2.367 20 30 DEEDRP CC1([NH+]2CCCC2)CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001122247263 795739264 /nfs/dbraw/zinc/73/92/64/795739264.db2.gz CAGYMRUKVRJDHG-UPTPFMHGSA-N 2 0 320.481 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001184565553 796084053 /nfs/dbraw/zinc/08/40/53/796084053.db2.gz JWEVRUDNGTYOGI-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001184575105 796086076 /nfs/dbraw/zinc/08/60/76/796086076.db2.gz BJSMCHMJPMJVEO-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184821368 796133119 /nfs/dbraw/zinc/13/31/19/796133119.db2.gz JQMLAFTTYXBSBK-HOTGVXAUSA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001185053580 796171029 /nfs/dbraw/zinc/17/10/29/796171029.db2.gz UIRYUYBECVWWNB-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185167188 796200338 /nfs/dbraw/zinc/20/03/38/796200338.db2.gz CXDHBPMOASZHFW-SJORKVTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185445162 796258752 /nfs/dbraw/zinc/25/87/52/796258752.db2.gz FFWOZRAVMUSERU-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185551326 796280762 /nfs/dbraw/zinc/28/07/62/796280762.db2.gz ZDBGCFFAHCQXLN-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185682794 796303447 /nfs/dbraw/zinc/30/34/47/796303447.db2.gz UFAFMLFIRKGCBA-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186083127 796356132 /nfs/dbraw/zinc/35/61/32/796356132.db2.gz RWZXJIOGYSRMDM-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106561 796627493 /nfs/dbraw/zinc/62/74/93/796627493.db2.gz MRDXTBRKONWPFN-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001203282444 796736608 /nfs/dbraw/zinc/73/66/08/796736608.db2.gz GFBOAOAFZYJYHY-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159588 796776792 /nfs/dbraw/zinc/77/67/92/796776792.db2.gz AQCUUHRZBOKQQM-JKSUJKDBSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189898285 796907728 /nfs/dbraw/zinc/90/77/28/796907728.db2.gz JTYKIOPSUYGDJF-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190889414 797102343 /nfs/dbraw/zinc/10/23/43/797102343.db2.gz KASNFTSBVFOSDP-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551675 797225215 /nfs/dbraw/zinc/22/52/15/797225215.db2.gz PJQOIXYISPAJIK-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001192293296 797356288 /nfs/dbraw/zinc/35/62/88/797356288.db2.gz HMHOGTQXOUWBBZ-LSDHHAIUSA-N 2 0 316.449 2.329 20 30 DEEDRP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153677432 797375244 /nfs/dbraw/zinc/37/52/44/797375244.db2.gz CZIBEHINCVZLTA-HZPDHXFCSA-N 2 0 315.477 2.459 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192655849 797423819 /nfs/dbraw/zinc/42/38/19/797423819.db2.gz PHEXWCLAKOXIEJ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481000 797542186 /nfs/dbraw/zinc/54/21/86/797542186.db2.gz KAQAODXCCJUPSV-MRXNPFEDSA-N 2 0 317.477 2.417 20 30 DEEDRP C=CCCC[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196010257 797993501 /nfs/dbraw/zinc/99/35/01/797993501.db2.gz LVSFGCPUTQZDRZ-MRXNPFEDSA-N 2 0 313.461 2.167 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C)CC1 ZINC001157092313 798142265 /nfs/dbraw/zinc/14/22/65/798142265.db2.gz RCXMFXCAKDHCTI-QGZVFWFLSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138121 798148652 /nfs/dbraw/zinc/14/86/52/798148652.db2.gz NSBBETXXOZLYMG-MRXNPFEDSA-N 2 0 315.461 2.212 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480819 798414047 /nfs/dbraw/zinc/41/40/47/798414047.db2.gz RCJJVCUHLJLUQE-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001158806096 798471736 /nfs/dbraw/zinc/47/17/36/798471736.db2.gz ABKSYLHGLODZTL-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP N#Cc1cc(Nc2ccc3c(c2)C[NH2+]C3)ccc1N1CC[NH2+]CC1 ZINC001159742630 798603341 /nfs/dbraw/zinc/60/33/41/798603341.db2.gz FVVCYIQKGZIGBF-UHFFFAOYSA-N 2 0 319.412 2.315 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159907925 798623849 /nfs/dbraw/zinc/62/38/49/798623849.db2.gz FNSJHCUJJFXDEB-HNNXBMFYSA-N 2 0 313.873 2.242 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200652094 798667249 /nfs/dbraw/zinc/66/72/49/798667249.db2.gz ZNDUPBWFAKKJQN-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285131 798670462 /nfs/dbraw/zinc/67/04/62/798670462.db2.gz BKAGTYXMMQRXPB-SFHVURJKSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492440 798695043 /nfs/dbraw/zinc/69/50/43/798695043.db2.gz SMSGOJDSTQQKQC-UHFFFAOYSA-N 2 0 317.477 2.187 20 30 DEEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592698 798710350 /nfs/dbraw/zinc/71/03/50/798710350.db2.gz AETBEWDGNMXOEA-UHFFFAOYSA-N 2 0 317.477 2.329 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160699143 798724277 /nfs/dbraw/zinc/72/42/77/798724277.db2.gz BOZXRSSWVWUUQG-UHFFFAOYSA-N 2 0 310.401 2.272 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201441093 798758123 /nfs/dbraw/zinc/75/81/23/798758123.db2.gz YKRJQJOTLVIDHL-UHFFFAOYSA-N 2 0 305.466 2.162 20 30 DEEDRP N#Cc1ccc2ncnc(-n3cc(CC[NH3+])c4c[nH+]ccc43)c2c1 ZINC001160945523 798766935 /nfs/dbraw/zinc/76/69/35/798766935.db2.gz CXKVAYSWYCPSMN-UHFFFAOYSA-N 2 0 314.352 2.342 20 30 DEEDRP 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 798970413 /nfs/dbraw/zinc/97/04/13/798970413.db2.gz YOXOJCKNKIFXPB-NCOADZHNSA-N 2 0 307.482 2.260 20 30 DEEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162911645 799200854 /nfs/dbraw/zinc/20/08/54/799200854.db2.gz TWOPQTYPGXBCSF-UHFFFAOYSA-N 2 0 317.477 2.175 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862257 799511023 /nfs/dbraw/zinc/51/10/23/799511023.db2.gz FUJPVMPNJAQRMY-OAGGEKHMSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576880 800084272 /nfs/dbraw/zinc/08/42/72/800084272.db2.gz KOXORTZDYGABDP-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203614435 800090503 /nfs/dbraw/zinc/09/05/03/800090503.db2.gz JFDRCPKGNJOEEX-CVEARBPZSA-N 2 0 317.477 2.065 20 30 DEEDRP Cn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2cc(C#N)ccc21 ZINC001206200079 800488531 /nfs/dbraw/zinc/48/85/31/800488531.db2.gz QBDTXQJSGCETRA-HOTGVXAUSA-N 2 0 300.381 2.311 20 30 DEEDRP C=CCN(CC[NH+]1CC2(C1)CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC001207203429 800708368 /nfs/dbraw/zinc/70/83/68/800708368.db2.gz CPZNMBUAUBJXIS-UHFFFAOYSA-N 2 0 323.481 2.437 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207481616 800763635 /nfs/dbraw/zinc/76/36/35/800763635.db2.gz AYXGNKVTBBEKMW-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128851 800917591 /nfs/dbraw/zinc/91/75/91/800917591.db2.gz JHXIIMVGYFDDBY-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208493212 800994722 /nfs/dbraw/zinc/99/47/22/800994722.db2.gz ZWNVWSOJGONOPN-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918956 801093588 /nfs/dbraw/zinc/09/35/88/801093588.db2.gz NLFOXJCVEQAAAU-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229691887 801306274 /nfs/dbraw/zinc/30/62/74/801306274.db2.gz BHRXUVKQWYBOAO-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210183935 801348738 /nfs/dbraw/zinc/34/87/38/801348738.db2.gz UVHQZUMDYQICOR-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP COc1cccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1C#N ZINC001210266249 801363733 /nfs/dbraw/zinc/36/37/33/801363733.db2.gz KQIYJUCWUCMOEI-UHFFFAOYSA-N 2 0 309.373 2.115 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230360160 801392857 /nfs/dbraw/zinc/39/28/57/801392857.db2.gz SIIBDSFLJLIIBY-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684981 801446473 /nfs/dbraw/zinc/44/64/73/801446473.db2.gz KUMYUVLINRAKPC-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757602 802022503 /nfs/dbraw/zinc/02/25/03/802022503.db2.gz FGKQUCUTSUFNRX-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839565 802032117 /nfs/dbraw/zinc/03/21/17/802032117.db2.gz YJSGGYMRHFCVLF-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772997 802613434 /nfs/dbraw/zinc/61/34/34/802613434.db2.gz UQOIIXKHNKBAPW-GVDBMIGSSA-N 2 0 319.493 2.216 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791626 802615869 /nfs/dbraw/zinc/61/58/69/802615869.db2.gz VPKFHOOTOHQAIP-IAGOWNOFSA-N 2 0 309.498 2.441 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222967987 802754230 /nfs/dbraw/zinc/75/42/30/802754230.db2.gz DLAINUYEXMOKHZ-ZACQAIPSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200667 802772816 /nfs/dbraw/zinc/77/28/16/802772816.db2.gz PLQASHCSDPZEBL-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001223611081 802803569 /nfs/dbraw/zinc/80/35/69/802803569.db2.gz NPTCKBDTNTUOLM-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001224577398 802883645 /nfs/dbraw/zinc/88/36/45/802883645.db2.gz YTYPVEIJTVFCGN-UHFFFAOYSA-N 2 0 309.498 2.369 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884127 802914523 /nfs/dbraw/zinc/91/45/23/802914523.db2.gz OOBSJVHOSRSLST-GOSISDBHSA-N 2 0 321.509 2.204 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001226767294 803155046 /nfs/dbraw/zinc/15/50/46/803155046.db2.gz VGSBRKPTSWQKFG-RCCFBDPRSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226773518 803156755 /nfs/dbraw/zinc/15/67/55/803156755.db2.gz FLUZOGVSUYJVPD-RBSFLKMASA-N 2 0 313.873 2.096 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408812 803238506 /nfs/dbraw/zinc/23/85/06/803238506.db2.gz YKLXSDOSDMQKQV-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001227454167 803243092 /nfs/dbraw/zinc/24/30/92/803243092.db2.gz OBUCLDWCEOUWJX-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001228932523 803433368 /nfs/dbraw/zinc/43/33/68/803433368.db2.gz PFESNYOLAMOUQC-KZNAEPCWSA-N 2 0 319.493 2.290 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001228983920 803439055 /nfs/dbraw/zinc/43/90/55/803439055.db2.gz PBSLIBRQXSWXOH-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001328037861 1148704995 /nfs/dbraw/zinc/70/49/95/1148704995.db2.gz DAIAQLPRTKFIDN-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001328097741 1148719793 /nfs/dbraw/zinc/71/97/93/1148719793.db2.gz IMZZICVKAMRRKJ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+](C)C ZINC001328693250 1148825132 /nfs/dbraw/zinc/82/51/32/1148825132.db2.gz GORJUJJXEVGKMG-IEBWSBKVSA-N 2 0 315.461 2.276 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001500347412 1058713949 /nfs/dbraw/zinc/71/39/49/1058713949.db2.gz FRLGDGNGXUPTPT-JZXOWHBKSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001501179499 1059354644 /nfs/dbraw/zinc/35/46/44/1059354644.db2.gz OVMODAKMHNADEF-QBPKDAKJSA-N 2 0 307.482 2.025 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001501190040 1059362505 /nfs/dbraw/zinc/36/25/05/1059362505.db2.gz MPCOZKFKOPUQCT-XSLAGTTESA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001501404623 1059491192 /nfs/dbraw/zinc/49/11/92/1059491192.db2.gz SKTQUBSHYSYOLG-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001501712146 1059659146 /nfs/dbraw/zinc/65/91/46/1059659146.db2.gz GORZPOLLVLHNRW-QAQDUYKDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[NH+]2C1 ZINC001467728790 1059693934 /nfs/dbraw/zinc/69/39/34/1059693934.db2.gz QEWRLTSBGUYADK-BRWVUGGUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001502126513 1059966982 /nfs/dbraw/zinc/96/69/82/1059966982.db2.gz ZZVSXJNXLVNZOM-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001505406158 1060541026 /nfs/dbraw/zinc/54/10/26/1060541026.db2.gz WYYLNJZUWCHFED-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001479669382 1061584415 /nfs/dbraw/zinc/58/44/15/1061584415.db2.gz BIIWVXDKWLTVOT-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001479739672 1061668367 /nfs/dbraw/zinc/66/83/67/1061668367.db2.gz HMNCLHUTYIQRIA-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001480051603 1062243756 /nfs/dbraw/zinc/24/37/56/1062243756.db2.gz SQYWTLLMTWMZBP-IAGOWNOFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480216889 1062478246 /nfs/dbraw/zinc/47/82/46/1062478246.db2.gz YCVWJNRACOODGY-IYBDPMFKSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001507161366 1062934954 /nfs/dbraw/zinc/93/49/54/1062934954.db2.gz IXTNTCLUMGZTSF-INIZCTEOSA-N 2 0 321.509 2.204 20 30 DEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329140944 1148868597 /nfs/dbraw/zinc/86/85/97/1148868597.db2.gz ICQJFHYVZDIOHK-OAHLLOKOSA-N 2 0 314.433 2.208 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)c(F)c1 ZINC001508243779 1063628389 /nfs/dbraw/zinc/62/83/89/1063628389.db2.gz ZCAGDPBCISGYNN-UHFFFAOYSA-N 2 0 319.424 2.203 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001493893442 1064014362 /nfs/dbraw/zinc/01/43/62/1064014362.db2.gz UPCYWOZMQLBLAU-QGZVFWFLSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(Cl)CN1CC[C@H](N(CCC)C(=O)Cn2cncc2C)C1 ZINC001493965524 1064046345 /nfs/dbraw/zinc/04/63/45/1064046345.db2.gz VEATYLFWFBTVKJ-HNNXBMFYSA-N 2 0 324.856 2.257 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001493972053 1064051715 /nfs/dbraw/zinc/05/17/15/1064051715.db2.gz SGXMVPVMUQZQLV-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001493972049 1064052386 /nfs/dbraw/zinc/05/23/86/1064052386.db2.gz SGXMVPVMUQZQLV-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567364389 1064161838 /nfs/dbraw/zinc/16/18/38/1064161838.db2.gz FZYQJQUKNMJWOR-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001567456150 1064206461 /nfs/dbraw/zinc/20/64/61/1064206461.db2.gz QNKRMAFVVGZMOY-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001567634827 1064295989 /nfs/dbraw/zinc/29/59/89/1064295989.db2.gz RNKFTTHFVYUOFZ-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001567646734 1064310396 /nfs/dbraw/zinc/31/03/96/1064310396.db2.gz NNMVFYRWNMVDGN-UHFFFAOYSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001567701333 1064357780 /nfs/dbraw/zinc/35/77/80/1064357780.db2.gz HFQIMTGOIMAABW-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567712948 1064371530 /nfs/dbraw/zinc/37/15/30/1064371530.db2.gz SDLVCTPRTNIKFP-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001567750574 1064401368 /nfs/dbraw/zinc/40/13/68/1064401368.db2.gz RGQAWTQPCFVHKY-RDJZCZTQSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001567833459 1064448685 /nfs/dbraw/zinc/44/86/85/1064448685.db2.gz QFANVUJCAFHJQN-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001568238031 1064723153 /nfs/dbraw/zinc/72/31/53/1064723153.db2.gz SNCIEUFWWOEFIM-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001568244752 1064725521 /nfs/dbraw/zinc/72/55/21/1064725521.db2.gz OMFWVUKKDXTCBT-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001568434326 1064868687 /nfs/dbraw/zinc/86/86/87/1064868687.db2.gz MJKBYFWATIKUKZ-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001495487769 1064941114 /nfs/dbraw/zinc/94/11/14/1064941114.db2.gz ICDGKKHSMVBPED-ZWKOTPCHSA-N 2 0 315.461 2.309 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH]cn2)cc1 ZINC001495495975 1064946261 /nfs/dbraw/zinc/94/62/61/1064946261.db2.gz HYNRYXDNUHRXDZ-CQSZACIVSA-N 2 0 312.417 2.180 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001568544811 1064956449 /nfs/dbraw/zinc/95/64/49/1064956449.db2.gz IDNYVQLCRGNRFF-ZWKOTPCHSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568679317 1065045600 /nfs/dbraw/zinc/04/56/00/1065045600.db2.gz KUSBUUNGCGJQPC-NXHRZFHOSA-N 2 0 315.461 2.002 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001496364619 1065427237 /nfs/dbraw/zinc/42/72/37/1065427237.db2.gz TXEVUHZDVCMYMB-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001569480476 1065532061 /nfs/dbraw/zinc/53/20/61/1065532061.db2.gz ATPRNGAWDDZAFO-GOSISDBHSA-N 2 0 316.449 2.151 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC=C(C)C)C(C)C)CC1 ZINC001496639834 1065612790 /nfs/dbraw/zinc/61/27/90/1065612790.db2.gz TXFLOYKUOYMRPV-SFHVURJKSA-N 2 0 319.493 2.028 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569672287 1065664471 /nfs/dbraw/zinc/66/44/71/1065664471.db2.gz FOQIPYBLEPNVMP-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569695614 1065676474 /nfs/dbraw/zinc/67/64/74/1065676474.db2.gz QOEVWQBKCDYAKN-SJLPKXTDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569811566 1065732553 /nfs/dbraw/zinc/73/25/53/1065732553.db2.gz SEBVISLWCSRMHG-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001496867969 1065764917 /nfs/dbraw/zinc/76/49/17/1065764917.db2.gz MNDQFRWLGIWOBL-LSDHHAIUSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001569914380 1065819320 /nfs/dbraw/zinc/81/93/20/1065819320.db2.gz DVULTBZZBNHNNL-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497210695 1065964374 /nfs/dbraw/zinc/96/43/74/1065964374.db2.gz WEPKWPCLQQHIFQ-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001570364728 1066033334 /nfs/dbraw/zinc/03/33/34/1066033334.db2.gz YJSGGYMRHFCVLF-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001570375009 1066039107 /nfs/dbraw/zinc/03/91/07/1066039107.db2.gz HQJFKJNFAOVFOC-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499574066 1067265386 /nfs/dbraw/zinc/26/53/86/1067265386.db2.gz MKNZEJKAGUXZST-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001580047557 1067482233 /nfs/dbraw/zinc/48/22/33/1067482233.db2.gz KNAZXQIEKAPMFA-KRWDZBQOSA-N 2 0 320.481 2.265 20 30 DEEDRP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267089054 1078562058 /nfs/dbraw/zinc/56/20/58/1078562058.db2.gz BBXIENBVTPSCIP-ZWKOTPCHSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001570530205 1067986832 /nfs/dbraw/zinc/98/68/32/1067986832.db2.gz GPBOWENPBAXKTQ-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001570547890 1067999010 /nfs/dbraw/zinc/99/90/10/1067999010.db2.gz IVVFNPCCRMWJQD-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570550598 1068000017 /nfs/dbraw/zinc/00/00/17/1068000017.db2.gz BHTQUVOTAVDNGK-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001570815468 1068125728 /nfs/dbraw/zinc/12/57/28/1068125728.db2.gz CUISWVWKQDSYRG-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001570815470 1068126059 /nfs/dbraw/zinc/12/60/59/1068126059.db2.gz CUISWVWKQDSYRG-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267282213 1078728082 /nfs/dbraw/zinc/72/80/82/1078728082.db2.gz BUBGFRDZTIATCP-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001267334010 1078773526 /nfs/dbraw/zinc/77/35/26/1078773526.db2.gz UVRGZZQPUDNJJC-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001483705822 1078831151 /nfs/dbraw/zinc/83/11/51/1078831151.db2.gz JIRHOIUUPVMUAC-IRXDYDNUSA-N 2 0 301.434 2.056 20 30 DEEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481270681 1079509221 /nfs/dbraw/zinc/50/92/21/1079509221.db2.gz BIGXCNMFALCEFG-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC001574672715 1069246134 /nfs/dbraw/zinc/24/61/34/1069246134.db2.gz DJUIWWDUAVPFPZ-OALUTQOASA-N 2 0 300.446 2.185 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001267512043 1078941294 /nfs/dbraw/zinc/94/12/94/1078941294.db2.gz ZFGSDMYYBIZHNU-UHFFFAOYSA-N 2 0 321.509 2.347 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267547587 1078978362 /nfs/dbraw/zinc/97/83/62/1078978362.db2.gz PMSNWBJJSOORSI-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001483811187 1079135159 /nfs/dbraw/zinc/13/51/59/1079135159.db2.gz DXCWEECFRLYUFY-SJORKVTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481127656 1079226271 /nfs/dbraw/zinc/22/62/71/1079226271.db2.gz ZNFOGCIYWPVHPE-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C(C)C)CC1 ZINC001483985382 1079226264 /nfs/dbraw/zinc/22/62/64/1079226264.db2.gz VIDRNMUIHHLGMX-KRWDZBQOSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481127655 1079226373 /nfs/dbraw/zinc/22/63/73/1079226373.db2.gz ZNFOGCIYWPVHPE-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001484005600 1079235601 /nfs/dbraw/zinc/23/56/01/1079235601.db2.gz NXCHYSGMINHDNZ-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566632940 1074438164 /nfs/dbraw/zinc/43/81/64/1074438164.db2.gz HGXVZAOULOCOJL-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484106121 1079304570 /nfs/dbraw/zinc/30/45/70/1079304570.db2.gz DLDVTEWAJZVKNQ-BQFCYCMXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)Cc1ccccc1 ZINC001283720877 1079324482 /nfs/dbraw/zinc/32/44/82/1079324482.db2.gz GMFPJZJHRPCVHU-INIZCTEOSA-N 2 0 303.450 2.131 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001565771228 1075186970 /nfs/dbraw/zinc/18/69/70/1075186970.db2.gz HYAQOLHCUZLRKA-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001565852482 1075197273 /nfs/dbraw/zinc/19/72/73/1075197273.db2.gz MFJWENRLRCOYCC-YESZJQIVSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001566129398 1075233564 /nfs/dbraw/zinc/23/35/64/1075233564.db2.gz FRAYNEKLHSGADI-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)CC#N ZINC001650051536 1079379821 /nfs/dbraw/zinc/37/98/21/1079379821.db2.gz FEAOHQKSZUEYIA-YQQAZPJKSA-N 2 0 301.434 2.007 20 30 DEEDRP CC#CC[NH2+][C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001566717598 1075325582 /nfs/dbraw/zinc/32/55/82/1075325582.db2.gz RCAOYDISRMYRKQ-GOSISDBHSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001566735746 1075329832 /nfs/dbraw/zinc/32/98/32/1075329832.db2.gz KGZDIJDVBHXAEH-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267707592 1079393420 /nfs/dbraw/zinc/39/34/20/1079393420.db2.gz BNYOLZVKBMNZCP-QGZVFWFLSA-N 2 0 315.461 2.328 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566893436 1075376386 /nfs/dbraw/zinc/37/63/86/1075376386.db2.gz IDMNMJBSVVOVKX-FUHWJXTLSA-N 2 0 319.493 2.123 20 30 DEEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955383 1075398669 /nfs/dbraw/zinc/39/86/69/1075398669.db2.gz LTVMFILLBCJNTL-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566963812 1075401769 /nfs/dbraw/zinc/40/17/69/1075401769.db2.gz ZRMBBFDQVYTCMD-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001267739367 1079433480 /nfs/dbraw/zinc/43/34/80/1079433480.db2.gz BZVSMDDBOVZPLL-WMZOPIPTSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001267861054 1079548079 /nfs/dbraw/zinc/54/80/79/1079548079.db2.gz VXQUIRABXPZYCI-VQIMIIECSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484574959 1079671462 /nfs/dbraw/zinc/67/14/62/1079671462.db2.gz JSSSLJQOYBPRCX-SHTZXODSSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001484663401 1079716819 /nfs/dbraw/zinc/71/68/19/1079716819.db2.gz SJGIMHNFYMKPNY-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001484765767 1079791770 /nfs/dbraw/zinc/79/17/70/1079791770.db2.gz RCOWBQIDIAZMFC-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484811209 1079804727 /nfs/dbraw/zinc/80/47/27/1079804727.db2.gz XQMQGGQHGXVOCX-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481436153 1079842966 /nfs/dbraw/zinc/84/29/66/1079842966.db2.gz YSNXHAMXGFNGGS-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001485075476 1079961321 /nfs/dbraw/zinc/96/13/21/1079961321.db2.gz GJRZEFUUGKBHKF-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001656198558 1080063928 /nfs/dbraw/zinc/06/39/28/1080063928.db2.gz VRWNMNQBHCTJBZ-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268154791 1080127952 /nfs/dbraw/zinc/12/79/52/1080127952.db2.gz DMZFMKNHGRRRRY-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001657075581 1080152175 /nfs/dbraw/zinc/15/21/75/1080152175.db2.gz FKLQQTSBYQFYPI-IRXDYDNUSA-N 2 0 307.482 2.053 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001268196825 1080185332 /nfs/dbraw/zinc/18/53/32/1080185332.db2.gz FPWPGAMNSXIGDQ-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001268201395 1080188955 /nfs/dbraw/zinc/18/89/55/1080188955.db2.gz LPBQVAWHBIQLPI-KRWDZBQOSA-N 2 0 309.498 2.319 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001658778259 1080218259 /nfs/dbraw/zinc/21/82/59/1080218259.db2.gz UUQKHGOPTQDWIG-UHOSZYNNSA-N 2 0 312.461 2.466 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268254463 1080233079 /nfs/dbraw/zinc/23/30/79/1080233079.db2.gz RXVUZWCBKCACAS-UHFFFAOYSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001485539051 1080286896 /nfs/dbraw/zinc/28/68/96/1080286896.db2.gz GUIRLAXKPIJRHE-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001480083936 1151584964 /nfs/dbraw/zinc/58/49/64/1151584964.db2.gz IKPBHIBTTUHKOU-ROUUACIJSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001494057348 1080385839 /nfs/dbraw/zinc/38/58/39/1080385839.db2.gz SMKVHADYSJROLQ-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001485767930 1080423177 /nfs/dbraw/zinc/42/31/77/1080423177.db2.gz SQYSJXWSOJOVBP-UHFFFAOYSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001661079170 1080440553 /nfs/dbraw/zinc/44/05/53/1080440553.db2.gz VDXVJQHEWCWLGJ-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547763 1080483001 /nfs/dbraw/zinc/48/30/01/1080483001.db2.gz KSKWGVDPSIDTMB-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 1080484814 /nfs/dbraw/zinc/48/48/14/1080484814.db2.gz ADOBUFMHVXXOCL-WOYTXXSLSA-N 2 0 307.482 2.308 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001661613905 1080499404 /nfs/dbraw/zinc/49/94/04/1080499404.db2.gz BFFVDKDLCZLRPS-VVLHAWIVSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107036180 1080550557 /nfs/dbraw/zinc/55/05/57/1080550557.db2.gz HDIFXAZXOOIPKM-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@H]1C ZINC001481964829 1080656270 /nfs/dbraw/zinc/65/62/70/1080656270.db2.gz TWVYRLRFJVIKOR-AEFFLSMTSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001662868078 1080670060 /nfs/dbraw/zinc/67/00/60/1080670060.db2.gz QMHWMNLFJJSGGA-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001663013728 1080685582 /nfs/dbraw/zinc/68/55/82/1080685582.db2.gz BVUFNMLAOKPEKF-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP CC#CC[NH2+]CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001482007845 1080687501 /nfs/dbraw/zinc/68/75/01/1080687501.db2.gz HBRBCCNXVJMEHN-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001663185464 1080716694 /nfs/dbraw/zinc/71/66/94/1080716694.db2.gz YTGLDWNKKJURFZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001663777550 1080815162 /nfs/dbraw/zinc/81/51/62/1080815162.db2.gz OQPXXMVESDSGMD-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001664442681 1080910448 /nfs/dbraw/zinc/91/04/48/1080910448.db2.gz NUQNWCUABBLHHQ-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001664510818 1080919457 /nfs/dbraw/zinc/91/94/57/1080919457.db2.gz YSJYKEYBFPZVAC-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001664859301 1080972986 /nfs/dbraw/zinc/97/29/86/1080972986.db2.gz QRKWZEPXJACBEU-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001664873637 1080975605 /nfs/dbraw/zinc/97/56/05/1080975605.db2.gz JAEUOBFHOYBKFA-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001665951858 1081101858 /nfs/dbraw/zinc/10/18/58/1081101858.db2.gz NYTCSBSQBVIMPF-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001666314658 1081143048 /nfs/dbraw/zinc/14/30/48/1081143048.db2.gz JTWNAFSHEIFNOZ-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001269184312 1081155833 /nfs/dbraw/zinc/15/58/33/1081155833.db2.gz ZXAYOUKVIKTTAK-IRXDYDNUSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(C)C)CCCC2)CC1 ZINC001666808353 1081182989 /nfs/dbraw/zinc/18/29/89/1081182989.db2.gz FXQQLGXJAPIOJF-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001269360906 1081227747 /nfs/dbraw/zinc/22/77/47/1081227747.db2.gz MCHDUGZLHZTJIK-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001667472491 1081254947 /nfs/dbraw/zinc/25/49/47/1081254947.db2.gz ARJBLZSBEWPUGN-IAGOWNOFSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001269558116 1081290786 /nfs/dbraw/zinc/29/07/86/1081290786.db2.gz WOUPMFNMWKWWHD-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001270087665 1081447393 /nfs/dbraw/zinc/44/73/93/1081447393.db2.gz CZDPKCXQRNKMEN-HOTGVXAUSA-N 2 0 315.461 2.451 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC)CC1 ZINC001671476917 1081518801 /nfs/dbraw/zinc/51/88/01/1081518801.db2.gz ATZMJZFNUAOCSJ-SFHVURJKSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270486681 1081535250 /nfs/dbraw/zinc/53/52/50/1081535250.db2.gz OVISFZHSYMUVMG-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001671801873 1081539857 /nfs/dbraw/zinc/53/98/57/1081539857.db2.gz UOAMJFZVLPHCOG-SFHVURJKSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001482400797 1081793282 /nfs/dbraw/zinc/79/32/82/1081793282.db2.gz QLHOFMMDZXINRZ-ROUUACIJSA-N 2 0 321.509 2.251 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001482406142 1081797760 /nfs/dbraw/zinc/79/77/60/1081797760.db2.gz NYSVQHQOPFFFIF-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001279137827 1081867281 /nfs/dbraw/zinc/86/72/81/1081867281.db2.gz ZOZYXSUYAFJVRC-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001674480269 1081878669 /nfs/dbraw/zinc/87/86/69/1081878669.db2.gz FOWCPLBPMGAHQN-SJORKVTESA-N 2 0 307.482 2.053 20 30 DEEDRP C=CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001266390209 1082015249 /nfs/dbraw/zinc/01/52/49/1082015249.db2.gz OIVIAJDIPXITCX-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001271578005 1082084463 /nfs/dbraw/zinc/08/44/63/1082084463.db2.gz ZJVJNYXCBQLIGE-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271665635 1082104570 /nfs/dbraw/zinc/10/45/70/1082104570.db2.gz MAIYQSVJOZDENU-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001482508286 1082130764 /nfs/dbraw/zinc/13/07/64/1082130764.db2.gz QSBMGHJLSHPQCJ-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001670526945 1082166576 /nfs/dbraw/zinc/16/65/76/1082166576.db2.gz AHUSWJVJTATATK-QGZVFWFLSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001271861121 1082175066 /nfs/dbraw/zinc/17/50/66/1082175066.db2.gz MCSWTMRSHXMFEU-INIZCTEOSA-N 2 0 300.406 2.173 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001671569753 1082208031 /nfs/dbraw/zinc/20/80/31/1082208031.db2.gz MZJRCGMSZPGFGN-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266620160 1082225986 /nfs/dbraw/zinc/22/59/86/1082225986.db2.gz NPBZLYHSMCHYSW-IYARVYRRSA-N 2 0 315.461 2.217 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001505818288 1082488247 /nfs/dbraw/zinc/48/82/47/1082488247.db2.gz RHYAOEDGWUNLNG-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482833168 1082524505 /nfs/dbraw/zinc/52/45/05/1082524505.db2.gz ZEMFCLYFZJBLBU-KGLIPLIRSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001276468388 1083455012 /nfs/dbraw/zinc/45/50/12/1083455012.db2.gz ISMRDLUUZWLDHO-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107597324 1083502624 /nfs/dbraw/zinc/50/26/24/1083502624.db2.gz ZGUDJHMNIBOTMS-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001277447808 1083975922 /nfs/dbraw/zinc/97/59/22/1083975922.db2.gz QZEMNJHPVNCYJI-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001277569916 1084040309 /nfs/dbraw/zinc/04/03/09/1084040309.db2.gz NPPWDABVPXCTKB-BRWVUGGUSA-N 2 0 309.498 2.413 20 30 DEEDRP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001670924369 1084147093 /nfs/dbraw/zinc/14/70/93/1084147093.db2.gz XELXSEPMTYFYCZ-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001670974097 1084179184 /nfs/dbraw/zinc/17/91/84/1084179184.db2.gz LAGCGGXFYNQCMM-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001491302832 1084223488 /nfs/dbraw/zinc/22/34/88/1084223488.db2.gz ZDWDOZKUOQVPHL-HOCLYGCPSA-N 2 0 318.465 2.444 20 30 DEEDRP CC#CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001491364720 1084260483 /nfs/dbraw/zinc/26/04/83/1084260483.db2.gz CSCGWLSWSROSTB-UHFFFAOYSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001272825846 1084303075 /nfs/dbraw/zinc/30/30/75/1084303075.db2.gz JXJFWIFMWDFVFU-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259909 1084363549 /nfs/dbraw/zinc/36/35/49/1084363549.db2.gz DLDAZCVHTZQLPE-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078668950 1084802367 /nfs/dbraw/zinc/80/23/67/1084802367.db2.gz ULPZQZXLCQTXTH-HZPDHXFCSA-N 2 0 317.477 2.208 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078695090 1084828220 /nfs/dbraw/zinc/82/82/20/1084828220.db2.gz HOMGEQPSBUDPSY-HOTGVXAUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001486156128 1085097314 /nfs/dbraw/zinc/09/73/14/1085097314.db2.gz TWGXRKOLMNARKP-SJLPKXTDSA-N 2 0 305.466 2.162 20 30 DEEDRP C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001486232533 1085139831 /nfs/dbraw/zinc/13/98/31/1085139831.db2.gz YFLCIOJOXXWWMD-INIZCTEOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960287884 1085182936 /nfs/dbraw/zinc/18/29/36/1085182936.db2.gz IRALVHNTAPHQPD-XDNAFOTISA-N 2 0 317.477 2.016 20 30 DEEDRP 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 1085184104 /nfs/dbraw/zinc/18/41/04/1085184104.db2.gz VHFAZJCHUUGNKC-VXNCWWDNSA-N 2 0 319.493 2.262 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001486415979 1085302784 /nfs/dbraw/zinc/30/27/84/1085302784.db2.gz HMOKMYVXRXOIKY-DLBZAZTESA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001486516498 1085386887 /nfs/dbraw/zinc/38/68/87/1085386887.db2.gz JOIVBECRJZUFIT-UHFFFAOYSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961216953 1085640883 /nfs/dbraw/zinc/64/08/83/1085640883.db2.gz BPMNSNIXNKUAFZ-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000961559336 1085788034 /nfs/dbraw/zinc/78/80/34/1085788034.db2.gz OXIWSSBVKWRFID-BDXSIMOUSA-N 2 0 319.493 2.121 20 30 DEEDRP N#Cc1cccc(CN2CCC([NH2+]Cc3cc[nH]c(=O)c3)CC2)c1 ZINC000922218542 1085851150 /nfs/dbraw/zinc/85/11/50/1085851150.db2.gz BUUCZYZHYBLEAT-UHFFFAOYSA-N 2 0 322.412 2.413 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961956521 1085920220 /nfs/dbraw/zinc/92/02/20/1085920220.db2.gz JAFRXGXOJILUKB-WNRNVDISSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273101169 1086175674 /nfs/dbraw/zinc/17/56/74/1086175674.db2.gz OIHYJGRPJRAOJV-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662505 1087833368 /nfs/dbraw/zinc/83/33/68/1087833368.db2.gz LHSIQWXVDGGGDH-MWDXBVQZSA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080191886 1088669612 /nfs/dbraw/zinc/66/96/12/1088669612.db2.gz AEDKHTKTVSPJNC-NXHRZFHOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828363 1088877158 /nfs/dbraw/zinc/87/71/58/1088877158.db2.gz BKBZHQNNMVCGFP-TWMKSMIVSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543729 1089041610 /nfs/dbraw/zinc/04/16/10/1089041610.db2.gz XSNHUKSHOAPHQK-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082783406 1090077611 /nfs/dbraw/zinc/07/76/11/1090077611.db2.gz WMRYCLURZUWIBD-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852321 1090475488 /nfs/dbraw/zinc/47/54/88/1090475488.db2.gz SLQUNIVPEWISTE-SJLPKXTDSA-N 2 0 313.445 2.081 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001410499626 1091017489 /nfs/dbraw/zinc/01/74/89/1091017489.db2.gz FUVHPTFCOILFFE-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001488776951 1092746329 /nfs/dbraw/zinc/74/63/29/1092746329.db2.gz HJMYOBCYRNXZGC-CALCHBBNSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001489338073 1093025632 /nfs/dbraw/zinc/02/56/32/1093025632.db2.gz GXSSPXYHFOEJAB-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490311477 1093302853 /nfs/dbraw/zinc/30/28/53/1093302853.db2.gz XMHNQDWXGFFXQE-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001691745903 1138293157 /nfs/dbraw/zinc/29/31/57/1138293157.db2.gz VZIDSBKCXOKOIO-XDNAFOTISA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001281890537 1138778882 /nfs/dbraw/zinc/77/88/82/1138778882.db2.gz QUQITEAJKWHGQM-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001278268683 1138872123 /nfs/dbraw/zinc/87/21/23/1138872123.db2.gz XQBMGTXFMVNSBU-IRXDYDNUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001297373198 1139864474 /nfs/dbraw/zinc/86/44/74/1139864474.db2.gz ONSOLMRXIMMQRL-UHFFFAOYSA-N 2 0 309.498 2.321 20 30 DEEDRP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001318726739 1140394323 /nfs/dbraw/zinc/39/43/23/1140394323.db2.gz BFIGPLFLTSEGST-MOPGFXCFSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001318960156 1140480469 /nfs/dbraw/zinc/48/04/69/1140480469.db2.gz ZPHLUKVTPMHJQU-WKILWMFISA-N 2 0 319.493 2.290 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001319085079 1140501934 /nfs/dbraw/zinc/50/19/34/1140501934.db2.gz KSRRCPQLQHLTAA-QGZVFWFLSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(=O)SCc1ccccc1 ZINC001246014638 1140845684 /nfs/dbraw/zinc/84/56/84/1140845684.db2.gz VZDXGGWINKCARF-CVEARBPZSA-N 2 0 322.474 2.081 20 30 DEEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246047027 1140852887 /nfs/dbraw/zinc/85/28/87/1140852887.db2.gz BYIAZBDQJUEEFJ-QZTJIDSGSA-N 2 0 311.514 2.205 20 30 DEEDRP CC[NH+](CC)CC[C@@H](C)NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001246306430 1140882745 /nfs/dbraw/zinc/88/27/45/1140882745.db2.gz VZHOGGROYFYNDB-CYBMUJFWSA-N 2 0 305.422 2.299 20 30 DEEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324420578 1142074204 /nfs/dbraw/zinc/07/42/04/1142074204.db2.gz WRCBEHNCBQQDFB-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C[C@](C)(O)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252559298 1142765805 /nfs/dbraw/zinc/76/58/05/1142765805.db2.gz VFBMYSSRKGEMQX-FHWLQOOXSA-N 2 0 300.446 2.377 20 30 DEEDRP C=C[C@](C)(O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252559301 1142765847 /nfs/dbraw/zinc/76/58/47/1142765847.db2.gz VFBMYSSRKGEMQX-QYZOEREBSA-N 2 0 300.446 2.377 20 30 DEEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662226 1143303099 /nfs/dbraw/zinc/30/30/99/1143303099.db2.gz DFMLVEPFSYSWKM-AKHDSKFASA-N 2 0 317.477 2.359 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC001263096198 1144355767 /nfs/dbraw/zinc/35/57/67/1144355767.db2.gz KEVWJDMRPFJYPW-AWEZNQCLSA-N 2 0 305.422 2.379 20 30 DEEDRP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001263906824 1144421980 /nfs/dbraw/zinc/42/19/80/1144421980.db2.gz ZXAJKTQVOPYEJU-DLBZAZTESA-N 2 0 319.493 2.313 20 30 DEEDRP 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 1144445492 /nfs/dbraw/zinc/44/54/92/1144445492.db2.gz JRLFSQGINOOWOP-PVAVHDDUSA-N 2 0 307.482 2.118 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001264373062 1144517568 /nfs/dbraw/zinc/51/75/68/1144517568.db2.gz QWOXHEZFEADPQK-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001264656015 1144587056 /nfs/dbraw/zinc/58/70/56/1144587056.db2.gz XJUQTFSCZOZRPV-KURKYZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264684027 1144592654 /nfs/dbraw/zinc/59/26/54/1144592654.db2.gz PXNFBHDJLDBKIB-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265453960 1144704901 /nfs/dbraw/zinc/70/49/01/1144704901.db2.gz BHSFELSPUKOUDG-DLBZAZTESA-N 2 0 301.434 2.056 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001265526386 1144709141 /nfs/dbraw/zinc/70/91/41/1144709141.db2.gz ZNQZZEIGRCYCGS-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265613548 1144718164 /nfs/dbraw/zinc/71/81/64/1144718164.db2.gz QVKZAKJTIHHJDV-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265621489 1144718871 /nfs/dbraw/zinc/71/88/71/1144718871.db2.gz KZQKLCAVNADJBB-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001280308903 1144835371 /nfs/dbraw/zinc/83/53/71/1144835371.db2.gz WNHBTVHYWUWQET-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001281429967 1144889061 /nfs/dbraw/zinc/88/90/61/1144889061.db2.gz MKZZCDXGWXGZIA-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001282644465 1145108124 /nfs/dbraw/zinc/10/81/24/1145108124.db2.gz YXHUSFJXGDTTJD-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001282819702 1145171068 /nfs/dbraw/zinc/17/10/68/1145171068.db2.gz DPWMNJOHDALGFL-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001283442595 1145423798 /nfs/dbraw/zinc/42/37/98/1145423798.db2.gz XNWZWUIARJCJIT-IAGOWNOFSA-N 2 0 307.482 2.003 20 30 DEEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001283666282 1145570897 /nfs/dbraw/zinc/57/08/97/1145570897.db2.gz QFUSCIRFBUGPOC-SJLPKXTDSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001283666279 1145571401 /nfs/dbraw/zinc/57/14/01/1145571401.db2.gz QFUSCIRFBUGPOC-AEFFLSMTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001284720068 1145894923 /nfs/dbraw/zinc/89/49/23/1145894923.db2.gz VFMDRQMILHOYSK-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001366234749 1147145940 /nfs/dbraw/zinc/14/59/40/1147145940.db2.gz XTKKNNFQFBPWGC-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001366288165 1147193774 /nfs/dbraw/zinc/19/37/74/1147193774.db2.gz OODVVXUQNYEIIE-UKRRQHHQSA-N 2 0 313.873 2.240 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316680196 1147300620 /nfs/dbraw/zinc/30/06/20/1147300620.db2.gz PTDXXNFXQNODTJ-WMZOPIPTSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001317006619 1147578298 /nfs/dbraw/zinc/57/82/98/1147578298.db2.gz QUFAZFSMZLNIDU-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317045503 1147652218 /nfs/dbraw/zinc/65/22/18/1147652218.db2.gz QXWGCWLTBLULRD-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317047449 1147653110 /nfs/dbraw/zinc/65/31/10/1147653110.db2.gz UXARARRVDLQGRY-BBWFWOEESA-N 2 0 307.482 2.214 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317186887 1147673197 /nfs/dbraw/zinc/67/31/97/1147673197.db2.gz VGCNUAJZLKLXRZ-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001317294734 1147686571 /nfs/dbraw/zinc/68/65/71/1147686571.db2.gz PWZWLNCRNKCTDL-SJORKVTESA-N 2 0 321.509 2.108 20 30 DEEDRP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001317367871 1147697099 /nfs/dbraw/zinc/69/70/99/1147697099.db2.gz BIPXYSHBXVICNO-GOSISDBHSA-N 2 0 315.461 2.105 20 30 DEEDRP C=C(C)CC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317461825 1147712181 /nfs/dbraw/zinc/71/21/81/1147712181.db2.gz RPHOUFUMUIELCC-KRWDZBQOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001317513586 1147718036 /nfs/dbraw/zinc/71/80/36/1147718036.db2.gz MVBSMDCZPBXTRF-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001317884316 1147760310 /nfs/dbraw/zinc/76/03/10/1147760310.db2.gz NLWCOYJBPADDAF-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001324943423 1147861197 /nfs/dbraw/zinc/86/11/97/1147861197.db2.gz HYMCLAURPNMLHD-GOSISDBHSA-N 2 0 319.493 2.409 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001325414114 1147902958 /nfs/dbraw/zinc/90/29/58/1147902958.db2.gz DJHMDEGQIORCCK-HOCLYGCPSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001325437463 1147909112 /nfs/dbraw/zinc/90/91/12/1147909112.db2.gz LPACNZMCGWXVON-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001325946935 1148022817 /nfs/dbraw/zinc/02/28/17/1148022817.db2.gz WCQXWUXJLZYTNP-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001326481624 1148110014 /nfs/dbraw/zinc/11/00/14/1148110014.db2.gz UDVRCRXMQOLQRS-HNNXBMFYSA-N 2 0 315.461 2.481 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001326525799 1148131435 /nfs/dbraw/zinc/13/14/35/1148131435.db2.gz TXUHIBHTBLKUEE-QAQDUYKDSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001326760361 1148234689 /nfs/dbraw/zinc/23/46/89/1148234689.db2.gz QUQITEAJKWHGQM-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266985714 530062764 /nfs/dbraw/zinc/06/27/64/530062764.db2.gz QJLLFVITSICZAP-ZDUSSCGKSA-N 2 0 314.355 2.204 20 30 DEEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727340 198376530 /nfs/dbraw/zinc/37/65/30/198376530.db2.gz LZCRCEYUOVFZAE-INIZCTEOSA-N 2 0 300.450 2.189 20 30 DEEDRP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523480 354536048 /nfs/dbraw/zinc/53/60/48/354536048.db2.gz JHECQCHHSRWXIZ-QAPCUYQASA-N 2 0 322.497 2.093 20 30 DEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)nc1 ZINC000591570861 357737028 /nfs/dbraw/zinc/73/70/28/357737028.db2.gz XUMYRZSCYPLSFH-DOTOQJQBSA-N 2 0 313.449 2.029 20 30 DEEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323578 358054923 /nfs/dbraw/zinc/05/49/23/358054923.db2.gz QHIUJTQYVHAEOK-HUUCEWRRSA-N 2 0 300.450 2.238 20 30 DEEDRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccsc3C#N)CC2)CC[NH2+]1 ZINC000594735712 358328918 /nfs/dbraw/zinc/32/89/18/358328918.db2.gz NKNHOODBZYYPMF-KGLIPLIRSA-N 2 0 304.463 2.130 20 30 DEEDRP N#Cc1ccc2c(c1)[C@@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CC2 ZINC000602019106 360242156 /nfs/dbraw/zinc/24/21/56/360242156.db2.gz AVVXPYFMYJVWKI-SFHVURJKSA-N 2 0 319.412 2.462 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000675187473 541297830 /nfs/dbraw/zinc/29/78/30/541297830.db2.gz VGSUCHRKZNGXEQ-INIZCTEOSA-N 2 0 322.497 2.201 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000458319201 248261088 /nfs/dbraw/zinc/26/10/88/248261088.db2.gz KREGFQAPMGAWAR-QGZVFWFLSA-N 2 0 322.497 2.151 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000106341123 194198635 /nfs/dbraw/zinc/19/86/35/194198635.db2.gz QTOPAZKWPOPEPR-UHFFFAOYSA-N 2 0 324.513 2.256 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523191 184015074 /nfs/dbraw/zinc/01/50/74/184015074.db2.gz VHCIEPGFOUVEFP-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000537406697 284992375 /nfs/dbraw/zinc/99/23/75/284992375.db2.gz GAKSEZXXIQLDLJ-OAHLLOKOSA-N 2 0 318.440 2.376 20 30 DEEDRP COC1([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)C2(OC)CCC2)CCC1 ZINC000412029587 533027250 /nfs/dbraw/zinc/02/72/50/533027250.db2.gz YNDRQJAZMRDIDZ-HOTGVXAUSA-N 2 0 308.466 2.084 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111859349 401726630 /nfs/dbraw/zinc/72/66/30/401726630.db2.gz QAHIXXSLVRWVHW-UHFFFAOYSA-N 2 0 322.497 2.199 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000134119362 401899715 /nfs/dbraw/zinc/89/97/15/401899715.db2.gz XOUQHIKNTKVARS-OAHLLOKOSA-N 2 0 318.465 2.077 20 30 DEEDRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000104181704 402199816 /nfs/dbraw/zinc/19/98/16/402199816.db2.gz PATJGWUKYYXIDP-KRWDZBQOSA-N 2 0 302.466 2.255 20 30 DEEDRP C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158335342 402304509 /nfs/dbraw/zinc/30/45/09/402304509.db2.gz WOCGIDOCMATEPP-FZMZJTMJSA-N 2 0 323.510 2.154 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000170905698 402540820 /nfs/dbraw/zinc/54/08/20/402540820.db2.gz YLGFRKYQVLZFED-UHFFFAOYSA-N 2 0 306.454 2.218 20 30 DEEDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000249402924 402628564 /nfs/dbraw/zinc/62/85/64/402628564.db2.gz VOBSICUXFPAQJU-VQIMIIECSA-N 2 0 312.461 2.331 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)CCC#N)cn2)CC1 ZINC000174261129 402734631 /nfs/dbraw/zinc/73/46/31/402734631.db2.gz FRQAZDUMGCZXOV-UHFFFAOYSA-N 2 0 315.465 2.253 20 30 DEEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000343941395 403801698 /nfs/dbraw/zinc/80/16/98/403801698.db2.gz SYEXRQCNRHSVFI-GOEBONIOSA-N 2 0 302.422 2.194 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000361768056 403853696 /nfs/dbraw/zinc/85/36/96/403853696.db2.gz YEQKLRWTRKHEKQ-WBVHZDCISA-N 2 0 322.497 2.151 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358797780 404775994 /nfs/dbraw/zinc/77/59/94/404775994.db2.gz XTXQLUZFVYDXRN-JKSUJKDBSA-N 2 0 322.497 2.199 20 30 DEEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000435760455 405011972 /nfs/dbraw/zinc/01/19/72/405011972.db2.gz CAMPXXMLSSPWIO-SJLPKXTDSA-N 2 0 318.461 2.038 20 30 DEEDRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424150209 405023888 /nfs/dbraw/zinc/02/38/88/405023888.db2.gz YKJUALFHNREFGE-GJZGRUSLSA-N 2 0 308.470 2.024 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)C(C)C ZINC000417073591 405027412 /nfs/dbraw/zinc/02/74/12/405027412.db2.gz YFSASWCPQRQBHF-BRWVUGGUSA-N 2 0 322.497 2.064 20 30 DEEDRP CC(C)[C@H]([NH3+])CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423263315 405742602 /nfs/dbraw/zinc/74/26/02/405742602.db2.gz AWMHRCMDVVZNPD-GOSISDBHSA-N 2 0 300.450 2.096 20 30 DEEDRP CC(C)C[C@H](C[NH3+])NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423264004 405743058 /nfs/dbraw/zinc/74/30/58/405743058.db2.gz PKEKAZBPEXJWPT-LJQANCHMSA-N 2 0 314.477 2.486 20 30 DEEDRP [NH2+]=C(NC1CC(F)(F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263239789 225294525 /nfs/dbraw/zinc/29/45/25/225294525.db2.gz FXOXUJWFXXXYGX-UHFFFAOYSA-N 2 0 322.403 2.353 20 30 DEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000651816077 425148586 /nfs/dbraw/zinc/14/85/86/425148586.db2.gz ATTOKJMOIISCGZ-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661117516 425327359 /nfs/dbraw/zinc/32/73/59/425327359.db2.gz REUQHRYCHAHKTG-QAPCUYQASA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940579 425691630 /nfs/dbraw/zinc/69/16/30/425691630.db2.gz CXQKSDCBFWWKLI-CVEARBPZSA-N 2 0 303.454 2.066 20 30 DEEDRP C=CC[C@]1(C(=O)NCc2ccccc2C[NH+](C)C)CCC[NH2+]1 ZINC000662670318 425707898 /nfs/dbraw/zinc/70/78/98/425707898.db2.gz FZKQEJXRSKHKSA-GOSISDBHSA-N 2 0 301.434 2.063 20 30 DEEDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353427812 277051651 /nfs/dbraw/zinc/05/16/51/277051651.db2.gz PFDOHIDAYIEEKE-LJQANCHMSA-N 2 0 312.461 2.163 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000342766490 277851950 /nfs/dbraw/zinc/85/19/50/277851950.db2.gz VLMBJAUKKFIHEB-GVDBMIGSSA-N 2 0 307.482 2.189 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971287 782089817 /nfs/dbraw/zinc/08/98/17/782089817.db2.gz JLHACPNGOFBGGR-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001378716424 1152422217 /nfs/dbraw/zinc/42/22/17/1152422217.db2.gz OWQLRGIQZZEGCK-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000268111211 533989439 /nfs/dbraw/zinc/98/94/39/533989439.db2.gz ZCEAVFXUOIJJQL-AWEZNQCLSA-N 2 0 304.438 2.400 20 30 DEEDRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422982182 534177719 /nfs/dbraw/zinc/17/77/19/534177719.db2.gz VVZNVTMFEHMFDD-YDHLFZDLSA-N 2 0 304.413 2.382 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417544575 526589833 /nfs/dbraw/zinc/58/98/33/526589833.db2.gz WFQVPXZKMLAANZ-QGZVFWFLSA-N 2 0 316.449 2.026 20 30 DEEDRP C=CCOCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000339013689 526771593 /nfs/dbraw/zinc/77/15/93/526771593.db2.gz ORMLETOCINRABK-IAGOWNOFSA-N 2 0 310.482 2.400 20 30 DEEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248481379 527210702 /nfs/dbraw/zinc/21/07/02/527210702.db2.gz BEHRQUXHXZLWQE-AKHDSKFASA-N 2 0 300.446 2.424 20 30 DEEDRP C#Cc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000368015950 527438182 /nfs/dbraw/zinc/43/81/82/527438182.db2.gz JOPNAQUUSDFMPJ-UHFFFAOYSA-N 2 0 320.440 2.105 20 30 DEEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000348300746 528181831 /nfs/dbraw/zinc/18/18/31/528181831.db2.gz CKAOIURXYSTLGF-IAGOWNOFSA-N 2 0 322.497 2.239 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001368730516 1148622378 /nfs/dbraw/zinc/62/23/78/1148622378.db2.gz IRRKTJAIZFZFDX-GJZGRUSLSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001380076584 1152746065 /nfs/dbraw/zinc/74/60/65/1152746065.db2.gz RATZXPVVDCYINL-ZDUSSCGKSA-N 2 0 303.878 2.201 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001023554205 625323831 /nfs/dbraw/zinc/32/38/31/625323831.db2.gz HLNWYEQWMGXFRF-ULQDDVLXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023559544 625326579 /nfs/dbraw/zinc/32/65/79/625326579.db2.gz ATTZINPGIDADOQ-HNNXBMFYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023633501 625363292 /nfs/dbraw/zinc/36/32/92/625363292.db2.gz ZGUYFFNOOHWBTK-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632926 625365053 /nfs/dbraw/zinc/36/50/53/625365053.db2.gz RXEXBWROXDAGKX-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001026368437 625367145 /nfs/dbraw/zinc/36/71/45/625367145.db2.gz PRFREXJHRHVQKL-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525725 625502324 /nfs/dbraw/zinc/50/23/24/625502324.db2.gz RLOZHOMZTPLFCS-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001026561045 625523200 /nfs/dbraw/zinc/52/32/00/625523200.db2.gz MBLIJQPQWKFUJM-NFOMZHRRSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969708500 622891016 /nfs/dbraw/zinc/89/10/16/622891016.db2.gz ZVXDHLSGGSJCJA-HYVNUMGLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969783417 622920136 /nfs/dbraw/zinc/92/01/36/622920136.db2.gz UAUZHFHEJFNDGW-CYBMUJFWSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970017148 623056726 /nfs/dbraw/zinc/05/67/26/623056726.db2.gz UTWCTTHVEANPHM-ZDUSSCGKSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001022082220 624194519 /nfs/dbraw/zinc/19/45/19/624194519.db2.gz XPUQLZBLRCXDLP-HRCADAONSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971683048 624504999 /nfs/dbraw/zinc/50/49/99/624504999.db2.gz SCFIMMKSOCNGDM-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000891824363 624616663 /nfs/dbraw/zinc/61/66/63/624616663.db2.gz AMMREUAUAFVWLQ-UHFFFAOYSA-N 2 0 316.424 2.161 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763160 634398804 /nfs/dbraw/zinc/39/88/04/634398804.db2.gz LUQDQBPMTJXSPF-NRXISQOPSA-N 2 0 313.873 2.191 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023411010 625258436 /nfs/dbraw/zinc/25/84/36/625258436.db2.gz YUUUYGWVYVLPAF-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000998982148 634455027 /nfs/dbraw/zinc/45/50/27/634455027.db2.gz AKYSUQFDRDMYEV-UHFFFAOYSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436423 625762778 /nfs/dbraw/zinc/76/27/78/625762778.db2.gz CVUBSWDMPQRPKY-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024469519 625799788 /nfs/dbraw/zinc/79/97/88/625799788.db2.gz SBARDBMMEHPACM-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615267 625863261 /nfs/dbraw/zinc/86/32/61/625863261.db2.gz HBSWICWKWCJMDU-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974660768 633205246 /nfs/dbraw/zinc/20/52/46/633205246.db2.gz WACIEURZFRANGY-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996387670 633252428 /nfs/dbraw/zinc/25/24/28/633252428.db2.gz YNQBXVIXVRRTAJ-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996479077 633265408 /nfs/dbraw/zinc/26/54/08/633265408.db2.gz VMVWATQYMGOXTK-WBVHZDCISA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974901105 633360111 /nfs/dbraw/zinc/36/01/11/633360111.db2.gz PGUXDGWUPTWGJU-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975114866 633429376 /nfs/dbraw/zinc/42/93/76/633429376.db2.gz XHWVNTSJXWYBAR-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997085381 633572598 /nfs/dbraw/zinc/57/25/98/633572598.db2.gz OXKMPSXNRYYRGV-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588059 633888388 /nfs/dbraw/zinc/88/83/88/633888388.db2.gz VFEKNXXUQJEVDT-WMZOPIPTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997640906 633908416 /nfs/dbraw/zinc/90/84/16/633908416.db2.gz BAZNPTLCIRRYAH-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997871832 634015887 /nfs/dbraw/zinc/01/58/87/634015887.db2.gz PLICYHLYWHHSFL-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977623762 634076651 /nfs/dbraw/zinc/07/66/51/634076651.db2.gz VXTUNSBAQGRKAK-QGZVFWFLSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cnc3C)C[C@@H]2C1 ZINC000980235118 634904095 /nfs/dbraw/zinc/90/40/95/634904095.db2.gz ZOULYOCRFBQQCV-ARFHVFGLSA-N 2 0 316.449 2.053 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000660856 635260746 /nfs/dbraw/zinc/26/07/46/635260746.db2.gz RUYOWKPFLKMQHN-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438169 635482965 /nfs/dbraw/zinc/48/29/65/635482965.db2.gz KGVMEFNZMRLUIE-IAGOWNOFSA-N 2 0 305.466 2.114 20 30 DEEDRP CC#CCN1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000981509900 635509390 /nfs/dbraw/zinc/50/93/90/635509390.db2.gz GLFXCMNTOVEEDM-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981805704 635662458 /nfs/dbraw/zinc/66/24/58/635662458.db2.gz ICECMSBTZUOTJN-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981821834 635668302 /nfs/dbraw/zinc/66/83/02/635668302.db2.gz DMJHTSDJSGZISF-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2csc(C#N)c2)CC1 ZINC000921929021 635723081 /nfs/dbraw/zinc/72/30/81/635723081.db2.gz ZGYKVLYQJZGXKB-UHFFFAOYSA-N 2 0 313.430 2.379 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253921 635964343 /nfs/dbraw/zinc/96/43/43/635964343.db2.gz JHVBVGUHAYQAOZ-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003742720 636045109 /nfs/dbraw/zinc/04/51/09/636045109.db2.gz ZSVFTQZTVCGXEY-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001028288175 636059058 /nfs/dbraw/zinc/05/90/58/636059058.db2.gz BNCJZIXYWJEYQJ-AEFFLSMTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335463 636135930 /nfs/dbraw/zinc/13/59/30/636135930.db2.gz VVNJTMMOMNINGG-INIZCTEOSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982507546 636194227 /nfs/dbraw/zinc/19/42/27/636194227.db2.gz ONCDPTFAQVUGJX-KDURUIRLSA-N 2 0 319.493 2.075 20 30 DEEDRP 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 636216601 /nfs/dbraw/zinc/21/66/01/636216601.db2.gz QFVVMSJQGHRIBB-QRQLOZEOSA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000982683443 636365213 /nfs/dbraw/zinc/36/52/13/636365213.db2.gz RIBHQRSAKOHVCO-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004458813 636459686 /nfs/dbraw/zinc/45/96/86/636459686.db2.gz QWKSIFYPNHJZAM-MSOLQXFVSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624873 636510648 /nfs/dbraw/zinc/51/06/48/636510648.db2.gz IVMDHKZPCMKEHM-KRWDZBQOSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028754362 636700872 /nfs/dbraw/zinc/70/08/72/636700872.db2.gz CXHNUZBLERIWAO-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005397352 636732908 /nfs/dbraw/zinc/73/29/08/636732908.db2.gz KBOYNXOXHQIZNL-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805301 636749682 /nfs/dbraw/zinc/74/96/82/636749682.db2.gz MPDQEQHSNRASIK-QGZVFWFLSA-N 2 0 315.461 2.028 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901320 636830735 /nfs/dbraw/zinc/83/07/35/636830735.db2.gz AFNJUXZZBITKKX-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919044 636851050 /nfs/dbraw/zinc/85/10/50/636851050.db2.gz PVJKNNVJHRKGCX-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001028934376 636870609 /nfs/dbraw/zinc/87/06/09/636870609.db2.gz CZPAUYFJJYISCF-HNNXBMFYSA-N 2 0 316.449 2.166 20 30 DEEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261986759 636966162 /nfs/dbraw/zinc/96/61/62/636966162.db2.gz KEYOVEFANZACHD-INIZCTEOSA-N 2 0 300.450 2.178 20 30 DEEDRP C[NH+]=C(NCC1CCSCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086899628 636978070 /nfs/dbraw/zinc/97/80/70/636978070.db2.gz PRLWFJOXZYUTPL-INIZCTEOSA-N 2 0 324.538 2.265 20 30 DEEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923388917 637155839 /nfs/dbraw/zinc/15/58/39/637155839.db2.gz PNWTZSGSPJDNKR-RBUKOAKNSA-N 2 0 313.445 2.303 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000894863283 637272203 /nfs/dbraw/zinc/27/22/03/637272203.db2.gz WFPSVSVQSDZQBU-HNNXBMFYSA-N 2 0 304.434 2.267 20 30 DEEDRP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000985746404 639612725 /nfs/dbraw/zinc/61/27/25/639612725.db2.gz LEKKOAJRBNVHCJ-SFHVURJKSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000764440136 640635823 /nfs/dbraw/zinc/63/58/23/640635823.db2.gz CQMWCDRWIQGBQY-UHFFFAOYSA-N 2 0 317.477 2.127 20 30 DEEDRP C=C(C)COCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771845004 641559557 /nfs/dbraw/zinc/55/95/57/641559557.db2.gz ZFBRPWGMAAFBLB-UHFFFAOYSA-N 2 0 303.450 2.121 20 30 DEEDRP C#CCCCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000773302209 641755814 /nfs/dbraw/zinc/75/58/14/641755814.db2.gz KVZIFURDKQIHNQ-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP C#C[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000775572074 642061114 /nfs/dbraw/zinc/06/11/14/642061114.db2.gz OSKDVNAOYISPAB-MNEFBYGVSA-N 2 0 316.445 2.458 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906598008 644299973 /nfs/dbraw/zinc/29/99/73/644299973.db2.gz SNOVCERDSOJTMK-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000907403128 644532256 /nfs/dbraw/zinc/53/22/56/644532256.db2.gz DOZCWQLGVKSFAQ-WMZOPIPTSA-N 2 0 315.461 2.131 20 30 DEEDRP COc1ccc(CNC(NC(C)(C)C)=[NH+]C[C@H](C)[NH+](C)C)cc1 ZINC000912509234 646091054 /nfs/dbraw/zinc/09/10/54/646091054.db2.gz YDKKCYHGQYGHLA-AWEZNQCLSA-N 2 0 320.481 2.479 20 30 DEEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991501129 646431920 /nfs/dbraw/zinc/43/19/20/646431920.db2.gz GYZKNJCGKJUFFR-MJGOQNOKSA-N 2 0 322.412 2.003 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171295 646884399 /nfs/dbraw/zinc/88/43/99/646884399.db2.gz XIOCPELGJNQNCL-APWZRJJASA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC000992446235 647012275 /nfs/dbraw/zinc/01/22/75/647012275.db2.gz MEMJMEIDCXPUID-SJLPKXTDSA-N 2 0 316.449 2.340 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993325185 647605870 /nfs/dbraw/zinc/60/58/70/647605870.db2.gz HPPBKJPFIIBDLQ-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993805953 647747471 /nfs/dbraw/zinc/74/74/71/647747471.db2.gz NTQVHQZRTAYNAF-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994078209 647785341 /nfs/dbraw/zinc/78/53/41/647785341.db2.gz HBBVKONIJSGSQZ-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942052289 649143177 /nfs/dbraw/zinc/14/31/77/649143177.db2.gz DVUNPHUYXSRTSV-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098934 649156711 /nfs/dbraw/zinc/15/67/11/649156711.db2.gz DHGQYFCXVOULQQ-HIFRSBDPSA-N 2 0 321.490 2.436 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172377 649174099 /nfs/dbraw/zinc/17/40/99/649174099.db2.gz JSBZRMCHUOWKBT-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756597 649422969 /nfs/dbraw/zinc/42/29/69/649422969.db2.gz SAFXXXXZKQADCN-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP N#Cc1ccc([C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000853132370 652507768 /nfs/dbraw/zinc/50/77/68/652507768.db2.gz SLHRZBIHUUXGGJ-LJQANCHMSA-N 2 0 313.445 2.303 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C)cc1 ZINC000304750107 685259104 /nfs/dbraw/zinc/25/91/04/685259104.db2.gz IDWMBZIENFTLPO-RDJZCZTQSA-N 2 0 302.466 2.487 20 30 DEEDRP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C12CCCC2 ZINC000304757958 685259747 /nfs/dbraw/zinc/25/97/47/685259747.db2.gz PLBDICHZYHPQOR-OWCLPIDISA-N 2 0 322.497 2.113 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199388 693879905 /nfs/dbraw/zinc/87/99/05/693879905.db2.gz VOUWVMYPWWNNCE-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192305 693876255 /nfs/dbraw/zinc/87/62/55/693876255.db2.gz USJKRABTFOKSFJ-AEFFLSMTSA-N 2 0 307.482 2.073 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(Cl)cc1 ZINC000303772970 685233600 /nfs/dbraw/zinc/23/36/00/685233600.db2.gz DYOMAYNAKYMHDX-AWEZNQCLSA-N 2 0 324.856 2.107 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)cc1Cl ZINC000303884882 685237529 /nfs/dbraw/zinc/23/75/29/685237529.db2.gz MWPJOPNLDVIPLL-CYBMUJFWSA-N 2 0 310.829 2.415 20 30 DEEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000303880308 685237961 /nfs/dbraw/zinc/23/79/61/685237961.db2.gz HCJZYORYYZUHIW-JKSUJKDBSA-N 2 0 302.466 2.254 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001054863712 694061183 /nfs/dbraw/zinc/06/11/83/694061183.db2.gz VXESHKOJUQOOGR-XHDPSFHLSA-N 2 0 318.808 2.137 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016631724 687669503 /nfs/dbraw/zinc/66/95/03/687669503.db2.gz BRMNGCLSMMZYLR-ZACQAIPSSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016752919 687696002 /nfs/dbraw/zinc/69/60/02/687696002.db2.gz BTRFUKSAWSELBT-DLBZAZTESA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016820273 687710187 /nfs/dbraw/zinc/71/01/87/687710187.db2.gz PVTCQBHZGSDXLG-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016892303 687727943 /nfs/dbraw/zinc/72/79/43/687727943.db2.gz MHRPAPPUMCSHIR-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550291 687911324 /nfs/dbraw/zinc/91/13/24/687911324.db2.gz WWIKHUDPNRARGQ-XDNAFOTISA-N 2 0 317.477 2.112 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017659674 687933853 /nfs/dbraw/zinc/93/38/53/687933853.db2.gz YBNKTVREVXUHKW-WNRNVDISSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806774 689000351 /nfs/dbraw/zinc/00/03/51/689000351.db2.gz OLCAPOWIUXMOJP-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001032663828 689217434 /nfs/dbraw/zinc/21/74/34/689217434.db2.gz FADYRXYZVFUYCK-ULQDDVLXSA-N 2 0 305.466 2.111 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145575 689404185 /nfs/dbraw/zinc/40/41/85/689404185.db2.gz IGFHBOBGHLOKIE-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467944 689510893 /nfs/dbraw/zinc/51/08/93/689510893.db2.gz UVEGRNCBZAIJMZ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033934981 689666118 /nfs/dbraw/zinc/66/61/18/689666118.db2.gz OQBIHTQCRQAOPE-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034006315 689690154 /nfs/dbraw/zinc/69/01/54/689690154.db2.gz ZTYAACCBQFOFPL-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034330970 689811668 /nfs/dbraw/zinc/81/16/68/689811668.db2.gz QQBMOKJWOVCEGS-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035708665 690157187 /nfs/dbraw/zinc/15/71/87/690157187.db2.gz YJSNWLIXOUGEFM-KRWDZBQOSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035724149 690161737 /nfs/dbraw/zinc/16/17/37/690161737.db2.gz RUXFNPXPIBMLQL-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736273 690452490 /nfs/dbraw/zinc/45/24/90/690452490.db2.gz XNJMRPISLXHTQG-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036737777 690454254 /nfs/dbraw/zinc/45/42/54/690454254.db2.gz WDURUJOKEMOULB-SJLPKXTDSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036853988 690499784 /nfs/dbraw/zinc/49/97/84/690499784.db2.gz CHNBQLIHGPXXMF-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903584 690522478 /nfs/dbraw/zinc/52/24/78/690522478.db2.gz CPZDMYSMQJROMA-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039132855 691029492 /nfs/dbraw/zinc/02/94/92/691029492.db2.gz PRMANTSCKLOGDT-BPQIPLTHSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137110 691030991 /nfs/dbraw/zinc/03/09/91/691030991.db2.gz MKKNHEHGDBNQBO-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001039278838 691073988 /nfs/dbraw/zinc/07/39/88/691073988.db2.gz CGLQJOFFQOJASV-NPYXIHBLSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039410873 691100999 /nfs/dbraw/zinc/10/09/99/691100999.db2.gz CYDSHYFFOMLCLB-SQNIBIBYSA-N 2 0 317.477 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001040938682 691299600 /nfs/dbraw/zinc/29/96/00/691299600.db2.gz IBRUPMHRIPYLDW-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C#CCN(C)CCC[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000883131187 691435820 /nfs/dbraw/zinc/43/58/20/691435820.db2.gz MVROBDDBUGXERX-UHFFFAOYSA-N 2 0 318.371 2.400 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094173 691506074 /nfs/dbraw/zinc/50/60/74/691506074.db2.gz QFVBUIPRXOOALD-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371149 691584920 /nfs/dbraw/zinc/58/49/20/691584920.db2.gz MBRUUXNTVKVCET-ROUUACIJSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC001044682385 691871832 /nfs/dbraw/zinc/87/18/32/691871832.db2.gz PTTIVLMOOMBHAN-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585144 692001043 /nfs/dbraw/zinc/00/10/43/692001043.db2.gz NZJQUVUYFLKXJS-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921230 692052161 /nfs/dbraw/zinc/05/21/61/692052161.db2.gz IEXQIARUIYAKFY-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045984436 692068773 /nfs/dbraw/zinc/06/87/73/692068773.db2.gz AIACLHCWYTYTEI-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046368641 692167009 /nfs/dbraw/zinc/16/70/09/692167009.db2.gz FTVJDTYWSIOYRE-WMZOPIPTSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263832 692404536 /nfs/dbraw/zinc/40/45/36/692404536.db2.gz DEXCLEOTFMSEIR-ROUUACIJSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172460 692779652 /nfs/dbraw/zinc/77/96/52/692779652.db2.gz WWIQKTJILDNDTL-WNRNVDISSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049656481 692956154 /nfs/dbraw/zinc/95/61/54/692956154.db2.gz XONMCMAGCZMLNT-IKGGRYGDSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049724801 692976994 /nfs/dbraw/zinc/97/69/94/692976994.db2.gz UCCDVLMJLVWWSU-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001050554332 693205672 /nfs/dbraw/zinc/20/56/72/693205672.db2.gz TZYRICZGKMIIPX-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925702071 693326382 /nfs/dbraw/zinc/32/63/82/693326382.db2.gz KHOSCIUOLIHJTM-IBGZPJMESA-N 2 0 324.472 2.397 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052427168 693531835 /nfs/dbraw/zinc/53/18/35/693531835.db2.gz WNBXSBUUIDAXRR-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591420 693574308 /nfs/dbraw/zinc/57/43/08/693574308.db2.gz PUBYGDNAEXUPMJ-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716310 693601844 /nfs/dbraw/zinc/60/18/44/693601844.db2.gz LNCTWFZEAVGGGC-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764688 693614998 /nfs/dbraw/zinc/61/49/98/693614998.db2.gz QRUYOFNGLMNEJV-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000932464407 694620969 /nfs/dbraw/zinc/62/09/69/694620969.db2.gz ZAISKLFWSSNCLT-QGZVFWFLSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001353509223 1151835117 /nfs/dbraw/zinc/83/51/17/1151835117.db2.gz WTESBXVLMAXEGN-DLBZAZTESA-N 2 0 303.450 2.398 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001391730414 1156751950 /nfs/dbraw/zinc/75/19/50/1156751950.db2.gz RFYMOQUHLWYEBR-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001376290022 1159318663 /nfs/dbraw/zinc/31/86/63/1159318663.db2.gz GSJCHQMJPNSUAP-OAHLLOKOSA-N 2 0 315.889 2.251 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001397129625 1160008871 /nfs/dbraw/zinc/00/88/71/1160008871.db2.gz LTEFLFSRYHRFBW-HDJSIYSDSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001398794697 1161105089 /nfs/dbraw/zinc/10/50/89/1161105089.db2.gz PRXOMXNBKKEKIE-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001400075496 1161647627 /nfs/dbraw/zinc/64/76/27/1161647627.db2.gz AEPXTBGOJSXLSN-DZGCQCFKSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001406184878 1164497851 /nfs/dbraw/zinc/49/78/51/1164497851.db2.gz NFEWOUKRRUDGLD-LSDHHAIUSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001419518099 1168566861 /nfs/dbraw/zinc/56/68/61/1168566861.db2.gz XKOUSHLDBYISEY-GFCCVEGCSA-N 2 0 303.878 2.059 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001419828261 1168863361 /nfs/dbraw/zinc/86/33/61/1168863361.db2.gz UDJIJDMWJDKBHG-DZGCQCFKSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001420087185 1169153417 /nfs/dbraw/zinc/15/34/17/1169153417.db2.gz MILIVWVNDDPYRM-HIFRSBDPSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001422934491 1172956461 /nfs/dbraw/zinc/95/64/61/1172956461.db2.gz UTDUIPRZSDWYCD-UHFFFAOYSA-N 2 0 301.862 2.004 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001425950113 1174531337 /nfs/dbraw/zinc/53/13/37/1174531337.db2.gz HJTBPZFRSROJKK-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001426225583 1174659073 /nfs/dbraw/zinc/65/90/73/1174659073.db2.gz LFTOFVKTIDVMNF-SLTAFYQDSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001441848655 1182213095 /nfs/dbraw/zinc/21/30/95/1182213095.db2.gz ZQGYAEXYHQYZKV-ZIAGYGMSSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001443148196 1182862213 /nfs/dbraw/zinc/86/22/13/1182862213.db2.gz RTIPGSUTJVRGLE-AWEZNQCLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001443920160 1183202484 /nfs/dbraw/zinc/20/24/84/1183202484.db2.gz UALKHLOUFTYCOS-UONOGXRCSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)CN1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596294 1149816993 /nfs/dbraw/zinc/81/69/93/1149816993.db2.gz SXOOFMWEAYLCNH-HUUCEWRRSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001106196166 782497319 /nfs/dbraw/zinc/49/73/19/782497319.db2.gz UVXZEZHNFHWBEL-UKRRQHHQSA-N 2 0 321.490 2.293 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001332300094 1149846592 /nfs/dbraw/zinc/84/65/92/1149846592.db2.gz DPIXOBZCYAOSBM-DOTOQJQBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886191 790287902 /nfs/dbraw/zinc/28/79/02/790287902.db2.gz JOESZWSBHIXPQO-KRWDZBQOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106476951 782734467 /nfs/dbraw/zinc/73/44/67/782734467.db2.gz BNBRNARNHVDNTQ-KBAYOESNSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563347 783211529 /nfs/dbraw/zinc/21/15/29/783211529.db2.gz QGVXSLZORAYUOW-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562552 783210219 /nfs/dbraw/zinc/21/02/19/783210219.db2.gz HPTPERQFTNYATI-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237079 776788992 /nfs/dbraw/zinc/78/89/92/776788992.db2.gz UAIOAJNZZWYJMA-HZPDHXFCSA-N 2 0 307.482 2.026 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237078 776789529 /nfs/dbraw/zinc/78/95/29/776789529.db2.gz UAIOAJNZZWYJMA-HOTGVXAUSA-N 2 0 307.482 2.026 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104287977 776898349 /nfs/dbraw/zinc/89/83/49/776898349.db2.gz OKLFICUYTPFSOA-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167732585 778192566 /nfs/dbraw/zinc/19/25/66/778192566.db2.gz IMFVAOZFBJJTGB-INIZCTEOSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530064 778621916 /nfs/dbraw/zinc/62/19/16/778621916.db2.gz BJJPTTSTWHJKDU-LPHOPBHVSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799277 779456172 /nfs/dbraw/zinc/45/61/72/779456172.db2.gz LVSFQJSBNXEXFN-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130354 779719767 /nfs/dbraw/zinc/71/97/67/779719767.db2.gz KMKNSYXDTNVGMT-MSOLQXFVSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000985495794 779865907 /nfs/dbraw/zinc/86/59/07/779865907.db2.gz KNYPOJQVNRUCDV-DLBZAZTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088424668 780106676 /nfs/dbraw/zinc/10/66/76/780106676.db2.gz CLDZQDXHFCPINF-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](CCCC[NH3+])C2)CC1 ZINC001204843444 780402522 /nfs/dbraw/zinc/40/25/22/780402522.db2.gz PLQDYZVIOSYJNZ-UHFFFAOYSA-N 2 0 309.454 2.226 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605712 781323979 /nfs/dbraw/zinc/32/39/79/781323979.db2.gz OTPGQDZDUDEBGU-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001091068641 790890617 /nfs/dbraw/zinc/89/06/17/790890617.db2.gz XQVBTNHAVUMSPL-LEOMRAHMSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948554620 783500935 /nfs/dbraw/zinc/50/09/35/783500935.db2.gz XOSBQGRBEFJQDO-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001085284567 783619148 /nfs/dbraw/zinc/61/91/48/783619148.db2.gz BTSJKTGFQIAUHS-KURKYZTESA-N 2 0 319.493 2.454 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090402 783881239 /nfs/dbraw/zinc/88/12/39/783881239.db2.gz TYSJRWMITIOIJU-KBXCAEBGSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629049 783904435 /nfs/dbraw/zinc/90/44/35/783904435.db2.gz KRVKCCNSHSYSKC-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264160 783915505 /nfs/dbraw/zinc/91/55/05/783915505.db2.gz HHKDFWWRNKQRRI-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266069 783916223 /nfs/dbraw/zinc/91/62/23/783916223.db2.gz ZKNCYZDXCWHWPH-YOEHRIQHSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967709215 784098971 /nfs/dbraw/zinc/09/89/71/784098971.db2.gz XLRTXYWQDJOUKK-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086132057 784428291 /nfs/dbraw/zinc/42/82/91/784428291.db2.gz ZRZVATHLTDNICC-GASCZTMLSA-N 2 0 312.417 2.317 20 30 DEEDRP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968782667 784587901 /nfs/dbraw/zinc/58/79/01/784587901.db2.gz XWHNFBIALMQPLS-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000968866165 784626212 /nfs/dbraw/zinc/62/62/12/784626212.db2.gz CHDSONCBNDKJTF-OKZBNKHCSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108786324 785534253 /nfs/dbraw/zinc/53/42/53/785534253.db2.gz XLFUTIHPUZBXSG-KSZLIROESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005851 786125755 /nfs/dbraw/zinc/12/57/55/786125755.db2.gz HBQBPESJBPOZCK-ILXRZTDVSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551195 786157521 /nfs/dbraw/zinc/15/75/21/786157521.db2.gz NEYXJEUNYLLVQJ-HKUYNNGSSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086558571 786231857 /nfs/dbraw/zinc/23/18/57/786231857.db2.gz BXKCPUYGVGSTGI-KKUMJFAQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001112979835 786340703 /nfs/dbraw/zinc/34/07/03/786340703.db2.gz IYYJSGASMNRKTA-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001113248185 786472909 /nfs/dbraw/zinc/47/29/09/786472909.db2.gz UHRAZMXKGDEZEK-QGZVFWFLSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105896 787931722 /nfs/dbraw/zinc/93/17/22/787931722.db2.gz OELPGCPWBMRWEF-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266744 787997869 /nfs/dbraw/zinc/99/78/69/787997869.db2.gz ZLHXOBGABKZDES-KBPBESRZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266338 787998038 /nfs/dbraw/zinc/99/80/38/787998038.db2.gz WXMXTCTUXNIYQJ-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132424277 788062957 /nfs/dbraw/zinc/06/29/57/788062957.db2.gz DQMJEENEEDXUKZ-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519030 788106475 /nfs/dbraw/zinc/10/64/75/788106475.db2.gz RNYOREUJFBIEJL-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP 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 788249372 /nfs/dbraw/zinc/24/93/72/788249372.db2.gz HYUNIYGOBHPSBR-BSXFFOKHSA-N 2 0 323.456 2.106 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001052899371 788257865 /nfs/dbraw/zinc/25/78/65/788257865.db2.gz SUXVMMJBGXUFFE-WMZOPIPTSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001133071642 788273850 /nfs/dbraw/zinc/27/38/50/788273850.db2.gz ACEHIPWEDWIMRW-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133253599 788342379 /nfs/dbraw/zinc/34/23/79/788342379.db2.gz KFVHDLBPPAQBDW-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893465 788660225 /nfs/dbraw/zinc/66/02/25/788660225.db2.gz FKRRWNDOMNYWNZ-MRXNPFEDSA-N 2 0 317.477 2.465 20 30 DEEDRP C=CC(N[C@@H](Cc1ccccc1)C[NH+]1CCCC1)=[NH+]COC ZINC001170754059 788965063 /nfs/dbraw/zinc/96/50/63/788965063.db2.gz RHBWZPGBLYGCMP-KRWDZBQOSA-N 2 0 301.434 2.472 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170756210 788969696 /nfs/dbraw/zinc/96/96/96/788969696.db2.gz LXYVVRUHMCIMEQ-UHFFFAOYSA-N 2 0 307.482 2.171 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134729097 789051298 /nfs/dbraw/zinc/05/12/98/789051298.db2.gz FMKLYBCHILTQSM-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858533 789116491 /nfs/dbraw/zinc/11/64/91/789116491.db2.gz VMFFYIKEUHBBKX-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086739737 789387025 /nfs/dbraw/zinc/38/70/25/789387025.db2.gz OZEKVOUHHGCLNN-LSDHHAIUSA-N 2 0 312.417 2.317 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135676017 789442791 /nfs/dbraw/zinc/44/27/91/789442791.db2.gz OREGETWSOXDIFK-GJZGRUSLSA-N 2 0 303.450 2.421 20 30 DEEDRP N#Cc1c(N[C@@H]([NH3+])CCC[NH3+])nc(Cl)cc1C(F)(F)F ZINC001170894490 789641811 /nfs/dbraw/zinc/64/18/11/789641811.db2.gz IIGNDEHXQBFTKX-SECBINFHSA-N 2 0 307.707 2.061 20 30 DEEDRP C[Si](C)(C)C#Cc1cc(Cl)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170896282 789643450 /nfs/dbraw/zinc/64/34/50/789643450.db2.gz DQRZJSDJBRELFL-CYBMUJFWSA-N 2 0 310.905 2.400 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682171 789863393 /nfs/dbraw/zinc/86/33/93/789863393.db2.gz IDCWUONHLYEZCE-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873447 789953230 /nfs/dbraw/zinc/95/32/30/789953230.db2.gz WNKMOCJKWLEGTQ-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001074684355 791264804 /nfs/dbraw/zinc/26/48/04/791264804.db2.gz RIROQBJPDIFDEH-BBWFWOEESA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074695217 791267599 /nfs/dbraw/zinc/26/75/99/791267599.db2.gz NDBHXLPKOOPRLH-ZNMIVQPWSA-N 2 0 313.873 2.192 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174863 791703697 /nfs/dbraw/zinc/70/36/97/791703697.db2.gz YXEWJMBJPVABGD-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943473 791857733 /nfs/dbraw/zinc/85/77/33/791857733.db2.gz VMPAUVBJRWONIO-IRXDYDNUSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952748 791862608 /nfs/dbraw/zinc/86/26/08/791862608.db2.gz PHPODHTVYUGRHY-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 792026007 /nfs/dbraw/zinc/02/60/07/792026007.db2.gz HOWCPWGNPFJLIM-DWRORGKVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100405568 792632213 /nfs/dbraw/zinc/63/22/13/792632213.db2.gz BTWNRGMEXXKOSO-OFLPRAFFSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100479136 792677048 /nfs/dbraw/zinc/67/70/48/792677048.db2.gz IFQVPOILRLFFJB-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100614448 792750915 /nfs/dbraw/zinc/75/09/15/792750915.db2.gz SOVZEPDMTUTNCZ-UHFFFAOYSA-N 2 0 305.422 2.015 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509405 793118154 /nfs/dbraw/zinc/11/81/54/793118154.db2.gz OZOWYJXTCNCWGX-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171647449 793157492 /nfs/dbraw/zinc/15/74/92/793157492.db2.gz VXIRHSWTLFCIQL-ZWKOTPCHSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443725 793164376 /nfs/dbraw/zinc/16/43/76/793164376.db2.gz PTBGFLXODJUQLR-SCTDSRPQSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171810671 793221378 /nfs/dbraw/zinc/22/13/78/793221378.db2.gz AXQQGBRGCQHFDQ-HNNXBMFYSA-N 2 0 312.417 2.236 20 30 DEEDRP C[C@H](Cc1ccc(C#N)cc1)N(CCC[NH3+])CCC[NH+](C)C ZINC001172301627 793393656 /nfs/dbraw/zinc/39/36/56/793393656.db2.gz SIQGDEBURBDHGU-MRXNPFEDSA-N 2 0 302.466 2.092 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102189935 793524901 /nfs/dbraw/zinc/52/49/01/793524901.db2.gz IYQLRKAXMTVZNF-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H]1C#N ZINC001172982167 793550964 /nfs/dbraw/zinc/55/09/64/793550964.db2.gz VASLEKDHUDSCLS-XQLPTFJDSA-N 2 0 322.453 2.138 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102272047 793553593 /nfs/dbraw/zinc/55/35/93/793553593.db2.gz GTJKYCQFXKVHTM-VSZNYVQBSA-N 2 0 321.509 2.367 20 30 DEEDRP 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 793566698 /nfs/dbraw/zinc/56/66/98/793566698.db2.gz KASOOUUUBPRHJM-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001095064827 793635983 /nfs/dbraw/zinc/63/59/83/793635983.db2.gz OWUJMAOPANGJIR-BBWFWOEESA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999865 794340588 /nfs/dbraw/zinc/34/05/88/794340588.db2.gz NGKMNBGMFIHZTH-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760440 794498377 /nfs/dbraw/zinc/49/83/77/794498377.db2.gz WOPYXHUQJHLLSD-SJORKVTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413427 794628969 /nfs/dbraw/zinc/62/89/69/794628969.db2.gz NMUAGYYNHZQFIG-LNLFQRSKSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477631 794689716 /nfs/dbraw/zinc/68/97/16/794689716.db2.gz JSNXINBLKNSZRP-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001115768575 794913830 /nfs/dbraw/zinc/91/38/30/794913830.db2.gz CMSWEEUEKZQOHY-IAGOWNOFSA-N 2 0 317.477 2.045 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483535 794935103 /nfs/dbraw/zinc/93/51/03/794935103.db2.gz CLTFCSFNNGXJME-MSOLQXFVSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178484528 794935692 /nfs/dbraw/zinc/93/56/92/794935692.db2.gz UCNQWHUSXGVUHC-SJORKVTESA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592441 795139873 /nfs/dbraw/zinc/13/98/73/795139873.db2.gz BUCREPWEDQZXJE-UHFFFAOYSA-N 2 0 309.498 2.254 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179585230 795146214 /nfs/dbraw/zinc/14/62/14/795146214.db2.gz DNPSWUJAUNTMFH-AWEZNQCLSA-N 2 0 315.889 2.347 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179826043 795190409 /nfs/dbraw/zinc/19/04/09/795190409.db2.gz RBVQZEDNINIPLC-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120022174 795392594 /nfs/dbraw/zinc/39/25/94/795392594.db2.gz XMKNTEIIXISQMA-UHFFFAOYSA-N 2 0 319.493 2.457 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130080 795409848 /nfs/dbraw/zinc/40/98/48/795409848.db2.gz UVEANAIHCRTENI-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190098 795419636 /nfs/dbraw/zinc/41/96/36/795419636.db2.gz ROCUUDHFFWRLFI-IRXDYDNUSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440640 795460677 /nfs/dbraw/zinc/46/06/77/795460677.db2.gz QHSZUOBGJHISEJ-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440639 795460691 /nfs/dbraw/zinc/46/06/91/795460691.db2.gz QHSZUOBGJHISEJ-MSOLQXFVSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120450046 795463423 /nfs/dbraw/zinc/46/34/23/795463423.db2.gz RSZDQAXPTZRWED-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001182411243 795666109 /nfs/dbraw/zinc/66/61/09/795666109.db2.gz YAPGABBGYQULTM-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC001121923319 795704902 /nfs/dbraw/zinc/70/49/02/795704902.db2.gz XMKZMSRALVNKDO-OAHLLOKOSA-N 2 0 319.453 2.080 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177688 795732747 /nfs/dbraw/zinc/73/27/47/795732747.db2.gz IEYJHAHBTVOECJ-TVACIPRKSA-N 2 0 319.493 2.310 20 30 DEEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001182910906 795779026 /nfs/dbraw/zinc/77/90/26/795779026.db2.gz QKHKAMLJLUISDV-ZHALLVOQSA-N 2 0 321.509 2.060 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082434 795796942 /nfs/dbraw/zinc/79/69/42/795796942.db2.gz VFSYBPNSXRUGQM-CZUORRHYSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940498 795958324 /nfs/dbraw/zinc/95/83/24/795958324.db2.gz YCVKKTDOBTUJMY-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185090430 796179013 /nfs/dbraw/zinc/17/90/13/796179013.db2.gz LOYRMEPHQMYBEV-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185359974 796238567 /nfs/dbraw/zinc/23/85/67/796238567.db2.gz MTETYYXCFIZBQU-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C12CCC2 ZINC001203629843 796332714 /nfs/dbraw/zinc/33/27/14/796332714.db2.gz CQRXHVKROBGEOS-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203029615 796516075 /nfs/dbraw/zinc/51/60/75/796516075.db2.gz UKWDSEGSPTVBLB-LSDHHAIUSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346439 796660214 /nfs/dbraw/zinc/66/02/14/796660214.db2.gz OGABWRSJKBQHAZ-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190484727 797009721 /nfs/dbraw/zinc/00/97/21/797009721.db2.gz WYUWMNQSRGGURU-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191143373 797152489 /nfs/dbraw/zinc/15/24/89/797152489.db2.gz AKUMMLQQUZMOOX-INIZCTEOSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542868 797220241 /nfs/dbraw/zinc/22/02/41/797220241.db2.gz JIKKRZLBXTYXRG-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986779 797293907 /nfs/dbraw/zinc/29/39/07/797293907.db2.gz BJTBRFRANXMECT-INIZCTEOSA-N 2 0 319.449 2.454 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424837 797564985 /nfs/dbraw/zinc/56/49/85/797564985.db2.gz PYOUYOPZIWXHSO-ZWKOTPCHSA-N 2 0 315.461 2.398 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195817377 797960536 /nfs/dbraw/zinc/96/05/36/797960536.db2.gz PWNYDALBKWYXRO-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC001196508065 798065645 /nfs/dbraw/zinc/06/56/45/798065645.db2.gz XHONXHJEAOWLBB-OAHLLOKOSA-N 2 0 304.438 2.081 20 30 DEEDRP CC#CC[NH2+]C1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001203314153 798282843 /nfs/dbraw/zinc/28/28/43/798282843.db2.gz XOLLUPDBXWEUGX-UHFFFAOYSA-N 2 0 321.509 2.493 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203316452 798349479 /nfs/dbraw/zinc/34/94/79/798349479.db2.gz HENQYYZMQNQXOM-HOTGVXAUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158472949 798412930 /nfs/dbraw/zinc/41/29/30/798412930.db2.gz GXSSPXYHFOEJAB-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158491632 798416119 /nfs/dbraw/zinc/41/61/19/798416119.db2.gz VBVATEIDKAOMII-QZTJIDSGSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160286133 798670868 /nfs/dbraw/zinc/67/08/68/798670868.db2.gz NVCMGWQLOFIDMS-QGZVFWFLSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160386334 798682793 /nfs/dbraw/zinc/68/27/93/798682793.db2.gz UGKGQRHLJRQWAB-UHFFFAOYSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001200893804 798688364 /nfs/dbraw/zinc/68/83/64/798688364.db2.gz IWAFEHNQRAEUEO-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466467 798692643 /nfs/dbraw/zinc/69/26/43/798692643.db2.gz DNHVOVIAYWGAPB-QZTJIDSGSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201044344 798709814 /nfs/dbraw/zinc/70/98/14/798709814.db2.gz UGXLGCRNBDGWOC-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001201268020 798732491 /nfs/dbraw/zinc/73/24/91/798732491.db2.gz VDMOPSPMPHUNGT-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161207763 798810762 /nfs/dbraw/zinc/81/07/62/798810762.db2.gz VXRBKFDNQPUZAF-MRXNPFEDSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001202178381 798836482 /nfs/dbraw/zinc/83/64/82/798836482.db2.gz JJBCQKHGLVCKKQ-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114410135 799093071 /nfs/dbraw/zinc/09/30/71/799093071.db2.gz UEHAELKFMCXWKP-MLHJIOFPSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162919705 799202598 /nfs/dbraw/zinc/20/25/98/799202598.db2.gz ZREUHMFAYTYYHL-UHFFFAOYSA-N 2 0 317.477 2.175 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491948 799609859 /nfs/dbraw/zinc/60/98/59/799609859.db2.gz REYGHSMJACYELO-KRWDZBQOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165314130 799702907 /nfs/dbraw/zinc/70/29/07/799702907.db2.gz GPNPJJDSCRYCBI-HNNXBMFYSA-N 2 0 313.461 2.119 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569369 799746802 /nfs/dbraw/zinc/74/68/02/799746802.db2.gz XYAUQOIQBKXPCJ-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926717 799796774 /nfs/dbraw/zinc/79/67/74/799796774.db2.gz ADEOUDVRXGKYFJ-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166190271 799838956 /nfs/dbraw/zinc/83/89/56/799838956.db2.gz VWBLKZUQWUMJQW-UHFFFAOYSA-N 2 0 312.417 2.400 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203324259 800036954 /nfs/dbraw/zinc/03/69/54/800036954.db2.gz GOHJDTJEUFKSHV-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC1([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000933269510 800056110 /nfs/dbraw/zinc/05/61/10/800056110.db2.gz PCHGKMDIOAXXRG-UHFFFAOYSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205518610 800367038 /nfs/dbraw/zinc/36/70/38/800367038.db2.gz DKOFYPYNMMZVSH-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206968345 800643252 /nfs/dbraw/zinc/64/32/52/800643252.db2.gz AMBVBWMPDGXBOX-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230341637 801390363 /nfs/dbraw/zinc/39/03/63/801390363.db2.gz QEFAERVZTHIXDC-QZTJIDSGSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211257308 801537332 /nfs/dbraw/zinc/53/73/32/801537332.db2.gz QJOPJWYFIJBTST-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224825 801823773 /nfs/dbraw/zinc/82/37/73/801823773.db2.gz YOEHRDKSNFAILD-KBAYOESNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001218457556 802186239 /nfs/dbraw/zinc/18/62/39/802186239.db2.gz SPEZUBXVZDERQQ-RTBURBONSA-N 2 0 315.461 2.167 20 30 DEEDRP C[C@H](C#N)c1ccc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001218870999 802251662 /nfs/dbraw/zinc/25/16/62/802251662.db2.gz FPVWDURARMQAFO-CJNGLKHVSA-N 2 0 312.417 2.126 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642787 802438197 /nfs/dbraw/zinc/43/81/97/802438197.db2.gz KWWOPERXFYTIKG-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669684 802601508 /nfs/dbraw/zinc/60/15/08/802601508.db2.gz VNNDHVQMAXLNEA-IAGOWNOFSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815206 802617678 /nfs/dbraw/zinc/61/76/78/802617678.db2.gz ZLGUKFPSFIFJTL-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083795 802639183 /nfs/dbraw/zinc/63/91/83/802639183.db2.gz NDRZWNKZEYEPFO-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222542966 802704748 /nfs/dbraw/zinc/70/47/48/802704748.db2.gz NUJGPDCLPLCJIE-UHFFFAOYSA-N 2 0 304.413 2.299 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001222976333 802754089 /nfs/dbraw/zinc/75/40/89/802754089.db2.gz LPWSDMUGVSETNA-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559803 803374401 /nfs/dbraw/zinc/37/44/01/803374401.db2.gz YMALGSUVPSCYQL-ZACQAIPSSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001499905078 1058365825 /nfs/dbraw/zinc/36/58/25/1058365825.db2.gz VKDXRVDNVNUACO-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC001500087487 1058481233 /nfs/dbraw/zinc/48/12/33/1058481233.db2.gz APVHLOGJMKONNJ-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001502803868 1060308524 /nfs/dbraw/zinc/30/85/24/1060308524.db2.gz FGISRURXNHSURB-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001502829013 1060335824 /nfs/dbraw/zinc/33/58/24/1060335824.db2.gz LXCKVTXGDKRHBF-CVEARBPZSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001503023407 1060425862 /nfs/dbraw/zinc/42/58/62/1060425862.db2.gz LSTUVCMWANUGFA-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505436640 1060594650 /nfs/dbraw/zinc/59/46/50/1060594650.db2.gz BBLVZQDLWXXQOQ-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001505473850 1060643075 /nfs/dbraw/zinc/64/30/75/1060643075.db2.gz ZCTIIOKUJIDGSX-ZWKOTPCHSA-N 2 0 321.509 2.465 20 30 DEEDRP C[NH+]1CCN(c2ccc(CC[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC001474759297 1060935074 /nfs/dbraw/zinc/93/50/74/1060935074.db2.gz HWZHEAYUEIKQFI-MSOLQXFVSA-N 2 0 312.461 2.263 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479368148 1061417839 /nfs/dbraw/zinc/41/78/39/1061417839.db2.gz CVTBXSKQSPSXBO-BQJWPVKWSA-N 2 0 307.482 2.166 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001479687381 1061599761 /nfs/dbraw/zinc/59/97/61/1061599761.db2.gz GARYNMJUSBPHDJ-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506940168 1062562078 /nfs/dbraw/zinc/56/20/78/1062562078.db2.gz HDADZVMYBALSQU-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480547446 1063020221 /nfs/dbraw/zinc/02/02/21/1063020221.db2.gz AHEHOBKPPDLWFQ-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507358850 1063151766 /nfs/dbraw/zinc/15/17/66/1063151766.db2.gz XXIOASWPMPEQGH-SJLPKXTDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480793417 1063350555 /nfs/dbraw/zinc/35/05/55/1063350555.db2.gz BAVXVONIYQGVGZ-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001493006869 1063473166 /nfs/dbraw/zinc/47/31/66/1063473166.db2.gz VZSDEPPLEVFMCO-KRWDZBQOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001508020708 1063499334 /nfs/dbraw/zinc/49/93/34/1063499334.db2.gz HKOKJOHTSYLECY-INIZCTEOSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256337 1063671795 /nfs/dbraw/zinc/67/17/95/1063671795.db2.gz AXKWTCJAZCXJJM-CVEARBPZSA-N 2 0 318.465 2.146 20 30 DEEDRP CC#CC[N@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001493290477 1063698706 /nfs/dbraw/zinc/69/87/06/1063698706.db2.gz IHNJYIDEWXVGMP-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001493694998 1063922433 /nfs/dbraw/zinc/92/24/33/1063922433.db2.gz CETYBUYNVKOLGL-KRWDZBQOSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001493894214 1064014767 /nfs/dbraw/zinc/01/47/67/1064014767.db2.gz JJOVJAHKKOUFTR-QGZVFWFLSA-N 2 0 313.445 2.248 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494018183 1064084920 /nfs/dbraw/zinc/08/49/20/1064084920.db2.gz FRNROTGAPCEGHP-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001494082460 1064117992 /nfs/dbraw/zinc/11/79/92/1064117992.db2.gz GXUGNTMIVXCBAV-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567689794 1064346919 /nfs/dbraw/zinc/34/69/19/1064346919.db2.gz XPIXNBWGBVSCFN-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567712580 1064369808 /nfs/dbraw/zinc/36/98/08/1064369808.db2.gz WULLXWOPJANJHX-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001567746454 1064400094 /nfs/dbraw/zinc/40/00/94/1064400094.db2.gz FPCOUAUYUSDOTF-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914757 1064513645 /nfs/dbraw/zinc/51/36/45/1064513645.db2.gz GSCQAAWNTSNDPM-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)c1sccc1C[NH+](C)C ZINC001567961412 1064562808 /nfs/dbraw/zinc/56/28/08/1064562808.db2.gz CDMIGZKLRKQPAI-CQSZACIVSA-N 2 0 309.479 2.484 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001568392521 1064833608 /nfs/dbraw/zinc/83/36/08/1064833608.db2.gz QPMMVFKIAPVBJL-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001568401569 1064838085 /nfs/dbraw/zinc/83/80/85/1064838085.db2.gz VSMCUFAVTPDPAH-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568928060 1065196715 /nfs/dbraw/zinc/19/67/15/1065196715.db2.gz HAXHNEKEQKJBSF-IYKSTZQJSA-N 2 0 313.873 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001569173847 1065339056 /nfs/dbraw/zinc/33/90/56/1065339056.db2.gz HBQLFVJVBOXAHG-MSOLQXFVSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001569312581 1065422499 /nfs/dbraw/zinc/42/24/99/1065422499.db2.gz FDZBJRPYUWEVNL-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001569546113 1065583235 /nfs/dbraw/zinc/58/32/35/1065583235.db2.gz FGSKVWRLWODERV-KRWDZBQOSA-N 2 0 319.493 2.243 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCCC)CC1 ZINC001569587303 1065610955 /nfs/dbraw/zinc/61/09/55/1065610955.db2.gz NOEPDPWQHKHZFP-SJLPKXTDSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001496914786 1065800293 /nfs/dbraw/zinc/80/02/93/1065800293.db2.gz ARYPTEYRTBFGGX-MSOLQXFVSA-N 2 0 315.461 2.422 20 30 DEEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001569921635 1065826974 /nfs/dbraw/zinc/82/69/74/1065826974.db2.gz OYGVROROKJMFJO-ZWKOTPCHSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001570212038 1065974671 /nfs/dbraw/zinc/97/46/71/1065974671.db2.gz QHAADVSUEXWWNG-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001570448646 1066076412 /nfs/dbraw/zinc/07/64/12/1066076412.db2.gz GKLGKIZKEWZJGZ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)Cc1cn2cccc(C)c2n1 ZINC001570469720 1066085645 /nfs/dbraw/zinc/08/56/45/1066085645.db2.gz NVMOLXLZFAYKQD-HNNXBMFYSA-N 2 0 314.433 2.246 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001498301467 1066623059 /nfs/dbraw/zinc/62/30/59/1066623059.db2.gz NSSVBCCNQIXOSM-ZDUSSCGKSA-N 2 0 309.479 2.436 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498317911 1066631265 /nfs/dbraw/zinc/63/12/65/1066631265.db2.gz VEWYPVOZQTVBCA-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)CN(C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498358342 1066653284 /nfs/dbraw/zinc/65/32/84/1066653284.db2.gz ZDKRZDRCZHMSPV-ZDUSSCGKSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001498770665 1066877168 /nfs/dbraw/zinc/87/71/68/1066877168.db2.gz PSMUKXCCLKVNFL-SJORKVTESA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001498877780 1066935329 /nfs/dbraw/zinc/93/53/29/1066935329.db2.gz WTPABEMNXQHCEV-OAHLLOKOSA-N 2 0 313.873 2.099 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001498905334 1066949367 /nfs/dbraw/zinc/94/93/67/1066949367.db2.gz ZXNFRXDOGNFPFU-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498978313 1066997313 /nfs/dbraw/zinc/99/73/13/1066997313.db2.gz AWHHXJKWOARILN-IXDOHACOSA-N 2 0 309.498 2.488 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001483366988 1078485270 /nfs/dbraw/zinc/48/52/70/1078485270.db2.gz AHUYBSPSVYONEM-INIZCTEOSA-N 2 0 317.477 2.417 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001266995525 1078488159 /nfs/dbraw/zinc/48/81/59/1078488159.db2.gz UTHHZCGRMSFKIK-MRXNPFEDSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001499482345 1067233852 /nfs/dbraw/zinc/23/38/52/1067233852.db2.gz VAFUTQTUTCUDFZ-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC001580065970 1067488029 /nfs/dbraw/zinc/48/80/29/1067488029.db2.gz ADZPLQZCHHAABI-CQSZACIVSA-N 2 0 305.447 2.210 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC001580079909 1067491541 /nfs/dbraw/zinc/49/15/41/1067491541.db2.gz IPKNECHYXTXGFD-MHABSNSOSA-N 2 0 314.433 2.360 20 30 DEEDRP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483466642 1078552069 /nfs/dbraw/zinc/55/20/69/1078552069.db2.gz OFDDAQRMPORXMW-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591201 1078614876 /nfs/dbraw/zinc/61/48/76/1078614876.db2.gz AWWDICBVMUIMNF-NVXWUHKLSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001267151832 1078616209 /nfs/dbraw/zinc/61/62/09/1078616209.db2.gz VOXXRSQEPIZTPD-WMZOPIPTSA-N 2 0 315.461 2.187 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC ZINC001483618578 1078634247 /nfs/dbraw/zinc/63/42/47/1078634247.db2.gz OZHDSOOZPUNHIY-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001570667248 1068060657 /nfs/dbraw/zinc/06/06/57/1068060657.db2.gz AJASXGAQIDYLSD-ABHNRTSZSA-N 2 0 319.493 2.099 20 30 DEEDRP C#CCC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001570777088 1068115492 /nfs/dbraw/zinc/11/54/92/1068115492.db2.gz HZARMCCJPCOSAD-KRWDZBQOSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001570834710 1068133623 /nfs/dbraw/zinc/13/36/23/1068133623.db2.gz HGCVBLWOXIZWFX-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001571639550 1068453757 /nfs/dbraw/zinc/45/37/57/1068453757.db2.gz QPKIDQQLJVLOFK-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001571651355 1068459209 /nfs/dbraw/zinc/45/92/09/1068459209.db2.gz SLMZMTJHQONZOV-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001571650562 1068459725 /nfs/dbraw/zinc/45/97/25/1068459725.db2.gz XSXYVEYDJVQLJZ-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001329256701 1148878360 /nfs/dbraw/zinc/87/83/60/1148878360.db2.gz KQZVPQHWQNUVHI-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001483698843 1078818440 /nfs/dbraw/zinc/81/84/40/1078818440.db2.gz XHOBGCOEERKJPA-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCC1 ZINC001574888983 1069287420 /nfs/dbraw/zinc/28/74/20/1069287420.db2.gz JWCCCPJDBBYHGJ-CALCHBBNSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267482391 1078905532 /nfs/dbraw/zinc/90/55/32/1078905532.db2.gz SEZPTENJOLWHSC-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593989 1079109519 /nfs/dbraw/zinc/10/95/19/1079109519.db2.gz WMZUIDOLXQAKSP-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267603579 1079164431 /nfs/dbraw/zinc/16/44/31/1079164431.db2.gz VALKZPREDMLJOS-KRWDZBQOSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484095048 1079301277 /nfs/dbraw/zinc/30/12/77/1079301277.db2.gz UHCDYXDVOBMORR-HKUYNNGSSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001279241652 1079309961 /nfs/dbraw/zinc/30/99/61/1079309961.db2.gz HKNLBSRUHHFZFR-CGZBRXJRSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566745688 1074995749 /nfs/dbraw/zinc/99/57/49/1074995749.db2.gz RQCPKVXHYHWZKK-IRXDYDNUSA-N 2 0 309.498 2.319 20 30 DEEDRP CCC#C[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC001559480906 1075126039 /nfs/dbraw/zinc/12/60/39/1075126039.db2.gz VLXKMUYUSIADNB-QGZVFWFLSA-N 2 0 321.509 2.348 20 30 DEEDRP C=CCCC[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267695788 1079383768 /nfs/dbraw/zinc/38/37/68/1079383768.db2.gz HZWFWHXRTZJPFH-UHFFFAOYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001566791698 1075346388 /nfs/dbraw/zinc/34/63/88/1075346388.db2.gz NACJWDPFAYITBD-OVYGPGRDSA-N 2 0 307.482 2.308 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001566800452 1075347543 /nfs/dbraw/zinc/34/75/43/1075347543.db2.gz ZTKLUAOPZVBNRN-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001267706609 1079394365 /nfs/dbraw/zinc/39/43/65/1079394365.db2.gz FFZNDABDGMLHOZ-ULQDDVLXSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001566972837 1075404070 /nfs/dbraw/zinc/40/40/70/1075404070.db2.gz NHUXMSYWIUWUMM-QXDIGNSFSA-N 2 0 319.493 2.262 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001566988004 1075409182 /nfs/dbraw/zinc/40/91/82/1075409182.db2.gz USPKHNDKNWJUQX-OFLPRAFFSA-N 2 0 307.482 2.147 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCC)C2)CC1 ZINC001267754636 1079455564 /nfs/dbraw/zinc/45/55/64/1079455564.db2.gz RHRUICSKLLLSAL-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267758994 1079461576 /nfs/dbraw/zinc/46/15/76/1079461576.db2.gz VAEOXJSYUOQWEW-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP CC#CC[NH2+][C@H](CC)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001267812908 1079510601 /nfs/dbraw/zinc/51/06/01/1079510601.db2.gz IYGBSRHFHMZHIE-MRXNPFEDSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267897003 1079583196 /nfs/dbraw/zinc/58/31/96/1079583196.db2.gz HLAFTBYOZAHPOH-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001484568396 1079665597 /nfs/dbraw/zinc/66/55/97/1079665597.db2.gz HZTUTPWYZWDZMN-KBAYOESNSA-N 2 0 319.493 2.169 20 30 DEEDRP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001481358561 1079753489 /nfs/dbraw/zinc/75/34/89/1079753489.db2.gz VHQYSHGEMMEPHH-KRWDZBQOSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001481510579 1079972908 /nfs/dbraw/zinc/97/29/08/1079972908.db2.gz YZYOTECHKBCPSK-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001656909883 1080138709 /nfs/dbraw/zinc/13/87/09/1080138709.db2.gz SIPPSGMVSQHFTH-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001268196850 1080185470 /nfs/dbraw/zinc/18/54/70/1080185470.db2.gz GBVJVUFIRGCPDR-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001268205686 1080190199 /nfs/dbraw/zinc/19/01/99/1080190199.db2.gz MZKADXSWDGDNFO-UHFFFAOYSA-N 2 0 318.465 2.410 20 30 DEEDRP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001485434129 1080204636 /nfs/dbraw/zinc/20/46/36/1080204636.db2.gz JXXHHDKOCUOBAO-QZTJIDSGSA-N 2 0 321.509 2.203 20 30 DEEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001485484062 1080233772 /nfs/dbraw/zinc/23/37/72/1080233772.db2.gz GVYUWRQRTIEIMM-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001268265557 1080245368 /nfs/dbraw/zinc/24/53/68/1080245368.db2.gz ABEKTIGFFKGWJA-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001268265556 1080245842 /nfs/dbraw/zinc/24/58/42/1080245842.db2.gz ABEKTIGFFKGWJA-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001485506826 1080268121 /nfs/dbraw/zinc/26/81/21/1080268121.db2.gz QXYYWFWJBAKKGK-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485536718 1080291393 /nfs/dbraw/zinc/29/13/93/1080291393.db2.gz BQKFFRJHKQFUBE-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001480083937 1151584572 /nfs/dbraw/zinc/58/45/72/1151584572.db2.gz IKPBHIBTTUHKOU-ZWKOTPCHSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001661213409 1080457785 /nfs/dbraw/zinc/45/77/85/1080457785.db2.gz QZWFTENJBWRERX-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661556190 1080494601 /nfs/dbraw/zinc/49/46/01/1080494601.db2.gz QUEQCOFZAHTFFB-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001481880854 1080571633 /nfs/dbraw/zinc/57/16/33/1080571633.db2.gz HXAKIUAMUFVUOI-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001662839955 1080666405 /nfs/dbraw/zinc/66/64/05/1080666405.db2.gz ZGFWZIBABGROTR-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001662867039 1080670121 /nfs/dbraw/zinc/67/01/21/1080670121.db2.gz DQFVSWDUQMTRRW-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001665313834 1081012990 /nfs/dbraw/zinc/01/29/90/1081012990.db2.gz ZJUYQKKOAOPYQU-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001666759612 1081179262 /nfs/dbraw/zinc/17/92/62/1081179262.db2.gz CSAFMVVTDNMLBB-QGZVFWFLSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001667285479 1081233743 /nfs/dbraw/zinc/23/37/43/1081233743.db2.gz SBIPJVFWAGRPGN-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000950089895 1081268295 /nfs/dbraw/zinc/26/82/95/1081268295.db2.gz PWSXRXPRWNZMHG-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269643922 1081319632 /nfs/dbraw/zinc/31/96/32/1081319632.db2.gz AEQTYZPZCSFZME-CRAIPNDOSA-N 2 0 319.493 2.311 20 30 DEEDRP C#CCC[NH2+]CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001269943396 1081406623 /nfs/dbraw/zinc/40/66/23/1081406623.db2.gz MPGPONGQCGBSKD-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812364 1081408157 /nfs/dbraw/zinc/40/81/57/1081408157.db2.gz KLKOKCHEMVOVLX-OWSLCNJRSA-N 2 0 317.477 2.158 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001270403794 1081519017 /nfs/dbraw/zinc/51/90/17/1081519017.db2.gz MIHMATNYLYLWMO-QZTJIDSGSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001671542791 1081522559 /nfs/dbraw/zinc/52/25/59/1081522559.db2.gz XBCYQOMQCNFNTD-ROUUACIJSA-N 2 0 319.493 2.005 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001672373315 1081589295 /nfs/dbraw/zinc/58/92/95/1081589295.db2.gz SKLLDHZRYQWQCT-QAQDUYKDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C1 ZINC001672419239 1081595803 /nfs/dbraw/zinc/59/58/03/1081595803.db2.gz DBMKRSLFMSAFSO-OAGGEKHMSA-N 2 0 316.449 2.087 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001672966080 1081727562 /nfs/dbraw/zinc/72/75/62/1081727562.db2.gz ZOHVXCPCZJECLZ-WKILWMFISA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001271021829 1081879235 /nfs/dbraw/zinc/87/92/35/1081879235.db2.gz UTDOXBYQSNJWER-ZDUSSCGKSA-N 2 0 300.406 2.269 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001674505507 1081884158 /nfs/dbraw/zinc/88/41/58/1081884158.db2.gz OLEAHAATSHSXIC-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001674546694 1081888684 /nfs/dbraw/zinc/88/86/84/1081888684.db2.gz OEFJZHYJLPCRHM-UHFFFAOYSA-N 2 0 321.490 2.484 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC/C=C/CC)CC1 ZINC001271217829 1081993300 /nfs/dbraw/zinc/99/33/00/1081993300.db2.gz VNTMQGDYDVBTEY-OZSKJFCKSA-N 2 0 319.493 2.124 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001482530594 1082164635 /nfs/dbraw/zinc/16/46/35/1082164635.db2.gz CVDMGMOCVNWJQP-INIZCTEOSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001271839037 1082169537 /nfs/dbraw/zinc/16/95/37/1082169537.db2.gz PVLPNZRXKBOLAC-AEFFLSMTSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001670555689 1082179406 /nfs/dbraw/zinc/17/94/06/1082179406.db2.gz CEFPHIDQVVCVHH-SJORKVTESA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001670586984 1082189227 /nfs/dbraw/zinc/18/92/27/1082189227.db2.gz DHFAOKQVWOCXRM-DLBZAZTESA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C(C)C ZINC001271923391 1082194868 /nfs/dbraw/zinc/19/48/68/1082194868.db2.gz UTRKMHUHTGCBAS-ZWKOTPCHSA-N 2 0 315.461 2.043 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001272016634 1082271537 /nfs/dbraw/zinc/27/15/37/1082271537.db2.gz SRLLIGOTUXXXJB-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001266751582 1082321740 /nfs/dbraw/zinc/32/17/40/1082321740.db2.gz HZCSNNAPSDFELU-HNNXBMFYSA-N 2 0 304.438 2.137 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482661965 1082441757 /nfs/dbraw/zinc/44/17/57/1082441757.db2.gz IEBNBCSMCSWSET-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266901888 1082441941 /nfs/dbraw/zinc/44/19/41/1082441941.db2.gz DJBPWUSBPCWRJV-QXDIGNSFSA-N 2 0 317.477 2.016 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]21 ZINC001482669278 1082451857 /nfs/dbraw/zinc/45/18/57/1082451857.db2.gz YYAKGPDIIVCKKG-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482685328 1082481059 /nfs/dbraw/zinc/48/10/59/1082481059.db2.gz OILVGCAVZYQRGL-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001409311325 1082757760 /nfs/dbraw/zinc/75/77/60/1082757760.db2.gz SFUMHQOYYJYJMV-UHFFFAOYSA-N 2 0 315.889 2.201 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438919 1083396334 /nfs/dbraw/zinc/39/63/34/1083396334.db2.gz MWRQWAZYECNKOW-ZIFCJYIRSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001671138567 1083403287 /nfs/dbraw/zinc/40/32/87/1083403287.db2.gz ZZWYMFFNIAZDNQ-WBVHZDCISA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546940 1083476395 /nfs/dbraw/zinc/47/63/95/1083476395.db2.gz UDIKPBDKIWHAMU-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001277416982 1083958155 /nfs/dbraw/zinc/95/81/55/1083958155.db2.gz BEOZJWGLQZTEQQ-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001272786711 1084053527 /nfs/dbraw/zinc/05/35/27/1084053527.db2.gz UBXRFHOELSALLZ-VPLLLXJESA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277937458 1084387810 /nfs/dbraw/zinc/38/78/10/1084387810.db2.gz FCNCTDVRAJSVBM-WMLDXEAASA-N 2 0 313.461 2.212 20 30 DEEDRP N#Cc1ccc(Oc2ccc(CN(CC[NH3+])CC[NH3+])cc2)cc1 ZINC001235877955 1084556783 /nfs/dbraw/zinc/55/67/83/1084556783.db2.gz QKHXFLMUEFBZGY-UHFFFAOYSA-N 2 0 310.401 2.070 20 30 DEEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001272926408 1084645757 /nfs/dbraw/zinc/64/57/57/1084645757.db2.gz JYVLOEXWYGXSSC-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486128224 1085094202 /nfs/dbraw/zinc/09/42/02/1085094202.db2.gz IYLUHEGRQCGJEF-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC000964393473 1085203079 /nfs/dbraw/zinc/20/30/79/1085203079.db2.gz SEYPFKREOOGUGR-UHFFFAOYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001486437880 1085313452 /nfs/dbraw/zinc/31/34/52/1085313452.db2.gz MVTPVDVCHBOBNB-ZBFHGGJFSA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001486518855 1085402565 /nfs/dbraw/zinc/40/25/65/1085402565.db2.gz AAJUDANPTALAOY-QGZVFWFLSA-N 2 0 307.482 2.287 20 30 DEEDRP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961181309 1085627088 /nfs/dbraw/zinc/62/70/88/1085627088.db2.gz JDAPGCMIWHGABT-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963787150 1086559210 /nfs/dbraw/zinc/55/92/10/1086559210.db2.gz GVFUVJWWJBAFGF-LMBQMVEXSA-N 2 0 305.466 2.062 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080013493 1088561797 /nfs/dbraw/zinc/56/17/97/1088561797.db2.gz KZZOIFISILULHG-CXAGYDPISA-N 2 0 312.417 2.269 20 30 DEEDRP C=CCC[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000957771587 1088609046 /nfs/dbraw/zinc/60/90/46/1088609046.db2.gz BXCKQFPJPDQCEV-UHFFFAOYSA-N 2 0 301.434 2.082 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513282 1089997055 /nfs/dbraw/zinc/99/70/55/1089997055.db2.gz HGDIVBOHGGIHBV-JFIYKMOQSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405583 1090290429 /nfs/dbraw/zinc/29/04/29/1090290429.db2.gz UNPIPKNWGNGUFT-KZNAEPCWSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032402 1090605680 /nfs/dbraw/zinc/60/56/80/1090605680.db2.gz FEQBGWQJSNJXBZ-KSZLIROESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001273427377 1091351162 /nfs/dbraw/zinc/35/11/62/1091351162.db2.gz INENNOSNVFJELH-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274919762 1091478574 /nfs/dbraw/zinc/47/85/74/1091478574.db2.gz QTWMZAKPHXCZAV-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001276225985 1091717084 /nfs/dbraw/zinc/71/70/84/1091717084.db2.gz HMRDTHBAOOPDMP-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001671086019 1091763742 /nfs/dbraw/zinc/76/37/42/1091763742.db2.gz UUCVJZWBMIOJFW-HKUYNNGSSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CN1CC[C@]2(CCC[N@@H+](CCC[NH+](C)C)CC2)C1=O ZINC001273711333 1092006182 /nfs/dbraw/zinc/00/61/82/1092006182.db2.gz AYJPVTNXUMKAIY-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275975717 1092416954 /nfs/dbraw/zinc/41/69/54/1092416954.db2.gz LRONHEVDOQFPSA-GOSISDBHSA-N 2 0 300.450 2.084 20 30 DEEDRP C#CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001275977859 1092424543 /nfs/dbraw/zinc/42/45/43/1092424543.db2.gz FKMIOIMMXGEZCT-HDICACEKSA-N 2 0 314.477 2.286 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490311473 1093302487 /nfs/dbraw/zinc/30/24/87/1093302487.db2.gz XMHNQDWXGFFXQE-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001490700556 1093493519 /nfs/dbraw/zinc/49/35/19/1093493519.db2.gz UIYFTHUQURATAR-ZWKOTPCHSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001490764968 1093516853 /nfs/dbraw/zinc/51/68/53/1093516853.db2.gz IUEOTDMSODYILQ-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441542673 1093540181 /nfs/dbraw/zinc/54/01/81/1093540181.db2.gz UOVUGTJAPYMELH-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001278004939 1138406323 /nfs/dbraw/zinc/40/63/23/1138406323.db2.gz HVIGIHBDESYENI-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCOc1ccccc1CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236922267 1138456978 /nfs/dbraw/zinc/45/69/78/1138456978.db2.gz FRPUKLGLKOFUMQ-GOSISDBHSA-N 2 0 317.477 2.367 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001237222997 1138542464 /nfs/dbraw/zinc/54/24/64/1138542464.db2.gz MJELMJBJVLGUJM-UHFFFAOYSA-N 2 0 314.477 2.060 20 30 DEEDRP CCCCCCCNC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001239307335 1139018178 /nfs/dbraw/zinc/01/81/78/1139018178.db2.gz AMHPOSAFGLCEIF-MRXNPFEDSA-N 2 0 312.502 2.282 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491765588 1140301898 /nfs/dbraw/zinc/30/18/98/1140301898.db2.gz DUFYUMZXPOWPDX-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318428621 1140325472 /nfs/dbraw/zinc/32/54/72/1140325472.db2.gz KZFBJSONDCKHRR-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001318482204 1140345490 /nfs/dbraw/zinc/34/54/90/1140345490.db2.gz DZVROFXQSFWMGF-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001318684951 1140384826 /nfs/dbraw/zinc/38/48/26/1140384826.db2.gz CCLJPSCKAPHGRX-WMZOPIPTSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318823604 1140428105 /nfs/dbraw/zinc/42/81/05/1140428105.db2.gz GUPJKQYHXGPGGM-MRXNPFEDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318852600 1140436756 /nfs/dbraw/zinc/43/67/56/1140436756.db2.gz XHELIJBOLBEJCO-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001318999132 1140488699 /nfs/dbraw/zinc/48/86/99/1140488699.db2.gz PJXUXLCDWZVMHK-QGZVFWFLSA-N 2 0 301.434 2.063 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001319662983 1140651610 /nfs/dbraw/zinc/65/16/10/1140651610.db2.gz KZAZYYUQHJJDIT-ROUUACIJSA-N 2 0 321.509 2.251 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCN(C)CC[NH3+] ZINC001245996224 1140843820 /nfs/dbraw/zinc/84/38/20/1140843820.db2.gz UTZBMDJTLOFSOL-KRWDZBQOSA-N 2 0 301.519 2.358 20 30 DEEDRP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC)CC1 ZINC001324397174 1142069204 /nfs/dbraw/zinc/06/92/04/1142069204.db2.gz VPLXPZHMZDFPFN-KRWDZBQOSA-N 2 0 319.493 2.197 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252133312 1142650220 /nfs/dbraw/zinc/65/02/20/1142650220.db2.gz IFAWUJCSSMXNLS-GOSISDBHSA-N 2 0 313.530 2.325 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001252483206 1142730922 /nfs/dbraw/zinc/73/09/22/1142730922.db2.gz RLVWGWOJPQRXNW-RTBURBONSA-N 2 0 318.461 2.052 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001341805037 1143714513 /nfs/dbraw/zinc/71/45/13/1143714513.db2.gz HPGZFIQBQWUJSE-MSOLQXFVSA-N 2 0 315.461 2.403 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@@H]1CC[NH2+]C1)C(C)C ZINC001262093064 1144289526 /nfs/dbraw/zinc/28/95/26/1144289526.db2.gz QKXPGVDYBPBJDQ-SJORKVTESA-N 2 0 322.497 2.078 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001263864023 1144415746 /nfs/dbraw/zinc/41/57/46/1144415746.db2.gz LRAHTIKIKHLKHJ-BZUAXINKSA-N 2 0 307.482 2.310 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001263957199 1144432339 /nfs/dbraw/zinc/43/23/39/1144432339.db2.gz ADXJPUUWHIBVLE-ROUUACIJSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001264126634 1144476394 /nfs/dbraw/zinc/47/63/94/1144476394.db2.gz VWMNUBPYERXUCG-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001264127448 1144478007 /nfs/dbraw/zinc/47/80/07/1144478007.db2.gz FTURWJGQFNCRGN-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265233293 1144673696 /nfs/dbraw/zinc/67/36/96/1144673696.db2.gz QDYCGNYGMOQOLX-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001265235793 1144674689 /nfs/dbraw/zinc/67/46/89/1144674689.db2.gz WDQQXTQQIWKBAW-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCC(N(CCC)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001265340279 1144695925 /nfs/dbraw/zinc/69/59/25/1144695925.db2.gz LXSMZZVAZHKETC-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265394952 1144701769 /nfs/dbraw/zinc/70/17/69/1144701769.db2.gz MANJTAVCEZCZKB-KSZLIROESA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001265454478 1144704928 /nfs/dbraw/zinc/70/49/28/1144704928.db2.gz RHQFMKARPVUISY-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266222903 1144816170 /nfs/dbraw/zinc/81/61/70/1144816170.db2.gz GVHYIQSHZLYLRO-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001279704308 1144827425 /nfs/dbraw/zinc/82/74/25/1144827425.db2.gz SVBBYUCKGBJEFN-QGZVFWFLSA-N 2 0 319.424 2.202 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001280777198 1144854866 /nfs/dbraw/zinc/85/48/66/1144854866.db2.gz OCAJPFBOYWZESM-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001282263660 1145026780 /nfs/dbraw/zinc/02/67/80/1145026780.db2.gz PFKCEZQUNYBZQT-OFLPRAFFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001282716233 1145141617 /nfs/dbraw/zinc/14/16/17/1145141617.db2.gz HZRGHWSYYDIYIA-LSDHHAIUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001283092861 1145263805 /nfs/dbraw/zinc/26/38/05/1145263805.db2.gz YBXPXVQDGSOKOW-QAQDUYKDSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001283666280 1145571629 /nfs/dbraw/zinc/57/16/29/1145571629.db2.gz QFUSCIRFBUGPOC-FUHWJXTLSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001317199431 1147272572 /nfs/dbraw/zinc/27/25/72/1147272572.db2.gz KSYHMTBHHVDGDE-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001366512195 1147318931 /nfs/dbraw/zinc/31/89/31/1147318931.db2.gz MSFUQDIZEMYCFK-AWEZNQCLSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001366512198 1147319016 /nfs/dbraw/zinc/31/90/16/1147319016.db2.gz MSFUQDIZEMYCFK-CQSZACIVSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001316690045 1147319358 /nfs/dbraw/zinc/31/93/58/1147319358.db2.gz ZMHAUWOBDHOBOH-UKRRQHHQSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001316824400 1147607699 /nfs/dbraw/zinc/60/76/99/1147607699.db2.gz HRSHEZJQCGXZIP-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP 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 1147652973 /nfs/dbraw/zinc/65/29/73/1147652973.db2.gz GROWYRLRDJJTOR-HSFUPAIVSA-N 2 0 319.493 2.357 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001317126374 1147662926 /nfs/dbraw/zinc/66/29/26/1147662926.db2.gz UJQGIYJEOWMVTR-CBZIJGRNSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317220848 1147679149 /nfs/dbraw/zinc/67/91/49/1147679149.db2.gz MCZABNIMRAXRRE-GTPINHCMSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001318228385 1147801275 /nfs/dbraw/zinc/80/12/75/1147801275.db2.gz JWNKDSMLWXFGTK-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001325421028 1147905288 /nfs/dbraw/zinc/90/52/88/1147905288.db2.gz YYYPAZQXMABIOU-UONOGXRCSA-N 2 0 310.401 2.026 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001325421032 1147905607 /nfs/dbraw/zinc/90/56/07/1147905607.db2.gz YYYPAZQXMABIOU-ZIAGYGMSSA-N 2 0 310.401 2.026 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001326271967 1148067973 /nfs/dbraw/zinc/06/79/73/1148067973.db2.gz GEPNZTZEUSUQNT-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001326522459 1148128853 /nfs/dbraw/zinc/12/88/53/1148128853.db2.gz UUXVPLFKTPJDRM-KZNAEPCWSA-N 2 0 319.493 2.149 20 30 DEEDRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339089338 530071719 /nfs/dbraw/zinc/07/17/19/530071719.db2.gz RSAIEODOAODKEW-IAGOWNOFSA-N 2 0 304.482 2.028 20 30 DEEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083035493 355462465 /nfs/dbraw/zinc/46/24/65/355462465.db2.gz MENLRYGXEGKXAA-DZGCQCFKSA-N 2 0 304.438 2.145 20 30 DEEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000083031557 355462576 /nfs/dbraw/zinc/46/25/76/355462576.db2.gz VEWWQSXYJXTPRU-MRXNPFEDSA-N 2 0 316.449 2.291 20 30 DEEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323577 358054450 /nfs/dbraw/zinc/05/44/50/358054450.db2.gz QHIUJTQYVHAEOK-GJZGRUSLSA-N 2 0 300.450 2.238 20 30 DEEDRP C[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000593321949 358054907 /nfs/dbraw/zinc/05/49/07/358054907.db2.gz JZTLPHOFXCNMOQ-DNVCBOLYSA-N 2 0 312.461 2.253 20 30 DEEDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000186598265 199979249 /nfs/dbraw/zinc/97/92/49/199979249.db2.gz XHPGOUQMIVBENH-JKSUJKDBSA-N 2 0 300.450 2.235 20 30 DEEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392914 361589173 /nfs/dbraw/zinc/58/91/73/361589173.db2.gz VJSGAUDCPWAMPX-DNVCBOLYSA-N 2 0 312.461 2.161 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000106263437 194192482 /nfs/dbraw/zinc/19/24/82/194192482.db2.gz MHLJGODNYQQIMU-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000268953758 207119571 /nfs/dbraw/zinc/11/95/71/207119571.db2.gz FPENTORKPFHHDB-RBUKOAKNSA-N 2 0 313.445 2.416 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CSC)c1 ZINC000187852480 285253841 /nfs/dbraw/zinc/25/38/41/285253841.db2.gz RZNVQNZOPSFGRQ-MRXNPFEDSA-N 2 0 320.506 2.438 20 30 DEEDRP COc1ccc(CCNC(=[NH2+])NCC[N@H+](C)C2CCCC2)cc1 ZINC000267386598 533478869 /nfs/dbraw/zinc/47/88/69/533478869.db2.gz BTWUKTZFTAMQIR-UHFFFAOYSA-N 2 0 318.465 2.016 20 30 DEEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000564826193 292113587 /nfs/dbraw/zinc/11/35/87/292113587.db2.gz DXKZRYUEHNBNLP-FJBKBRRZSA-N 2 0 300.406 2.113 20 30 DEEDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000320499353 145374668 /nfs/dbraw/zinc/37/46/68/145374668.db2.gz IKEWGQMJDAVZKI-UHFFFAOYSA-N 2 0 314.433 2.160 20 30 DEEDRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C#N)cc1F ZINC000358559844 147156804 /nfs/dbraw/zinc/15/68/04/147156804.db2.gz DNYPIVLCQAAQJF-ZDUSSCGKSA-N 2 0 305.397 2.052 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000111243245 401702689 /nfs/dbraw/zinc/70/26/89/401702689.db2.gz BOOFITCKMGBLGA-HNNXBMFYSA-N 2 0 304.438 2.333 20 30 DEEDRP C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000129309496 401802055 /nfs/dbraw/zinc/80/20/55/401802055.db2.gz SYVXRMZOOOOAKP-ZWNOBZJWSA-N 2 0 321.494 2.050 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115823646 401837759 /nfs/dbraw/zinc/83/77/59/401837759.db2.gz YDCNZGZCTCFQMN-MRXNPFEDSA-N 2 0 322.497 2.010 20 30 DEEDRP CCNC(NCC1CC[NH+](Cc2ccccc2)CC1)=[NH+]CC ZINC000066244672 402129473 /nfs/dbraw/zinc/12/94/73/402129473.db2.gz WVKJKHBJSWLEKB-UHFFFAOYSA-N 2 0 302.466 2.474 20 30 DEEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160670696 402356099 /nfs/dbraw/zinc/35/60/99/402356099.db2.gz KCNWTYRVEAFTNV-SNVBAGLBSA-N 2 0 316.327 2.264 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185665768 402368044 /nfs/dbraw/zinc/36/80/44/402368044.db2.gz JHLDTNDLIFAPCT-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000178577452 402513767 /nfs/dbraw/zinc/51/37/67/402513767.db2.gz ZGMFZXJKVDZORK-INIZCTEOSA-N 2 0 309.417 2.473 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000246396691 402529328 /nfs/dbraw/zinc/52/93/28/402529328.db2.gz SWOCHVZHAQPPGB-DOTOQJQBSA-N 2 0 322.497 2.009 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000172264950 402647305 /nfs/dbraw/zinc/64/73/05/402647305.db2.gz LQYVPRNZPQKSMZ-KRWDZBQOSA-N 2 0 322.497 2.201 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281672717 403080650 /nfs/dbraw/zinc/08/06/50/403080650.db2.gz LRGNKLCYHNYOOO-MRXNPFEDSA-N 2 0 305.422 2.013 20 30 DEEDRP CCCCNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283983541 403236617 /nfs/dbraw/zinc/23/66/17/403236617.db2.gz LPMWGHKNJOAOCH-UHFFFAOYSA-N 2 0 318.465 2.364 20 30 DEEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305078368 403822152 /nfs/dbraw/zinc/82/21/52/403822152.db2.gz LRPZBYHYRRFFKB-SOLBZPMBSA-N 2 0 310.482 2.135 20 30 DEEDRP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332449 404060317 /nfs/dbraw/zinc/06/03/17/404060317.db2.gz UTTQMZAMWUOWMD-FHWLQOOXSA-N 2 0 300.446 2.377 20 30 DEEDRP C=CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000414204020 404547226 /nfs/dbraw/zinc/54/72/26/404547226.db2.gz VZEZHANWIQDXCX-GOSISDBHSA-N 2 0 321.509 2.117 20 30 DEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000353388039 404820050 /nfs/dbraw/zinc/82/00/50/404820050.db2.gz POBSHVTWCVEIIT-HKUYNNGSSA-N 2 0 313.445 2.372 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(F)cc2C#N)CC1 ZINC000451985855 405119186 /nfs/dbraw/zinc/11/91/86/405119186.db2.gz MUSNSMYMUHBEAV-UHFFFAOYSA-N 2 0 318.440 2.203 20 30 DEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000643793689 407046748 /nfs/dbraw/zinc/04/67/48/407046748.db2.gz FZOPTWKWOOVVHC-WMZOPIPTSA-N 2 0 304.434 2.308 20 30 DEEDRP CN(C)C(=[NH+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)N(C)C ZINC000261740171 225254271 /nfs/dbraw/zinc/25/42/71/225254271.db2.gz IJLJEKCJXWJFFV-UHFFFAOYSA-N 2 0 318.465 2.139 20 30 DEEDRP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000267395198 225357176 /nfs/dbraw/zinc/35/71/76/225357176.db2.gz DWVKRHQOLALEJB-KGLIPLIRSA-N 2 0 306.454 2.055 20 30 DEEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055210 230332670 /nfs/dbraw/zinc/33/26/70/230332670.db2.gz CXDYJBDBHBHQMD-LOCSVTFISA-N 2 0 302.422 2.359 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000650851994 425066650 /nfs/dbraw/zinc/06/66/50/425066650.db2.gz MBZGBMFNOJDKPE-UHFFFAOYSA-N 2 0 322.497 2.154 20 30 DEEDRP C=CC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662693351 425713759 /nfs/dbraw/zinc/71/37/59/425713759.db2.gz UGYHAFVGTAFXPH-CGTJXYLNSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[C@]1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CCC[NH2+]1 ZINC000662697961 425716281 /nfs/dbraw/zinc/71/62/81/425716281.db2.gz FSFZIRBJXJOUCA-LJQANCHMSA-N 2 0 319.493 2.456 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353241163 276335650 /nfs/dbraw/zinc/33/56/50/276335650.db2.gz LBFXGWRLSITUIG-FUHWJXTLSA-N 2 0 301.434 2.492 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000192787213 289882389 /nfs/dbraw/zinc/88/23/89/289882389.db2.gz MDJKLTUUSMKLQK-NVXWUHKLSA-N 2 0 304.482 2.217 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970998 782090707 /nfs/dbraw/zinc/09/07/07/782090707.db2.gz XGRGLPDFNHOJDX-SQNIBIBYSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548061903 341245301 /nfs/dbraw/zinc/24/53/01/341245301.db2.gz NMFFWTBVJHPFIX-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC001357428314 1152297667 /nfs/dbraw/zinc/29/76/67/1152297667.db2.gz LSBAZCHHCDFJIR-GJZGRUSLSA-N 2 0 317.433 2.026 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001378609255 1152393224 /nfs/dbraw/zinc/39/32/24/1152393224.db2.gz FNFDEKASSQNMTH-ZDUSSCGKSA-N 2 0 323.868 2.456 20 30 DEEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000264130691 533989324 /nfs/dbraw/zinc/98/93/24/533989324.db2.gz XYJFPCUGUSKCGH-CYBMUJFWSA-N 2 0 320.437 2.162 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001378863524 1152471878 /nfs/dbraw/zinc/47/18/78/1152471878.db2.gz XMLKPRBISSIZHQ-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370699762 534457093 /nfs/dbraw/zinc/45/70/93/534457093.db2.gz MGEGHMDWSSMAAX-SJORKVTESA-N 2 0 306.498 2.274 20 30 DEEDRP C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370699758 534458066 /nfs/dbraw/zinc/45/80/66/534458066.db2.gz MGEGHMDWSSMAAX-IAGOWNOFSA-N 2 0 306.498 2.274 20 30 DEEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)NC[C@@H]1CCCS1 ZINC000261978978 526375001 /nfs/dbraw/zinc/37/50/01/526375001.db2.gz OLIDEKCJAOKGRZ-KKUMJFAQSA-N 2 0 312.527 2.310 20 30 DEEDRP C=CC[C@H](CC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000341425632 527145785 /nfs/dbraw/zinc/14/57/85/527145785.db2.gz BAQKNQDGSAMHIQ-DLBZAZTESA-N 2 0 324.513 2.399 20 30 DEEDRP C#C[C@H](NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000262065484 527314150 /nfs/dbraw/zinc/31/41/50/527314150.db2.gz CHLKXRUDOJJOKC-SFHVURJKSA-N 2 0 312.461 2.213 20 30 DEEDRP CCCNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264059922 528162633 /nfs/dbraw/zinc/16/26/33/528162633.db2.gz CMFFONYKTZNYPE-GASCZTMLSA-N 2 0 318.465 2.110 20 30 DEEDRP CC[NH+]=C(NCc1ccsc1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262025073 528818900 /nfs/dbraw/zinc/81/89/00/528818900.db2.gz ZMPCIXWBSGEYQG-DOMZBBRYSA-N 2 0 306.479 2.286 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264064991 529071433 /nfs/dbraw/zinc/07/14/33/529071433.db2.gz DVTWFAJZTXSHRE-MRXNPFEDSA-N 2 0 300.450 2.107 20 30 DEEDRP CCc1cccc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)c1 ZINC000267407369 529177148 /nfs/dbraw/zinc/17/71/48/529177148.db2.gz HLFJTQNFWUESCX-UHFFFAOYSA-N 2 0 304.438 2.086 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001330467969 1149149318 /nfs/dbraw/zinc/14/93/18/1149149318.db2.gz OBWBAKXVAQARRF-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001027648520 634383304 /nfs/dbraw/zinc/38/33/04/634383304.db2.gz XAWNKAWIMHHPRT-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632382 625364529 /nfs/dbraw/zinc/36/45/29/625364529.db2.gz LLHQVZZMZGLQQX-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025467705 625462004 /nfs/dbraw/zinc/46/20/04/625462004.db2.gz CIXNRMFBLGKDIT-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001026509148 625490402 /nfs/dbraw/zinc/49/04/02/625490402.db2.gz BRZCBOZFRNZBBM-NEXFUWMNSA-N 2 0 302.422 2.106 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001026534224 625506417 /nfs/dbraw/zinc/50/64/17/625506417.db2.gz YIJZJJHVEURJBK-DAWZGUTISA-N 2 0 319.493 2.454 20 30 DEEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001026591071 625547694 /nfs/dbraw/zinc/54/76/94/625547694.db2.gz OEEFCYCMWXUUAJ-ABHNRTSZSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144883 622588033 /nfs/dbraw/zinc/58/80/33/622588033.db2.gz VVULWUKBIXPGNV-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719254 623639258 /nfs/dbraw/zinc/63/92/58/623639258.db2.gz PGTXXMUDXQKVBJ-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970955729 623834485 /nfs/dbraw/zinc/83/44/85/623834485.db2.gz YNLZGKPLEYGLIH-AWEZNQCLSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622367 623846914 /nfs/dbraw/zinc/84/69/14/623846914.db2.gz INVRGKVZQLBSKF-FUHWJXTLSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021698884 623981329 /nfs/dbraw/zinc/98/13/29/623981329.db2.gz FEJQXGZLYZKJKF-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542149 624184952 /nfs/dbraw/zinc/18/49/52/624184952.db2.gz ZLOHOIQNEQZWBY-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971845747 624642459 /nfs/dbraw/zinc/64/24/59/624642459.db2.gz ZYFMWBSCPUEUJE-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972156507 624871933 /nfs/dbraw/zinc/87/19/33/624871933.db2.gz MSQZUSOXPHXKKH-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001022855701 625031941 /nfs/dbraw/zinc/03/19/41/625031941.db2.gz DABUYKWUSQPERZ-IYBDPMFKSA-N 2 0 321.852 2.351 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023410111 625257520 /nfs/dbraw/zinc/25/75/20/625257520.db2.gz ODYSWWLYLRWYEY-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413112 625259645 /nfs/dbraw/zinc/25/96/45/625259645.db2.gz AEIGHOJZWWCVSK-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448097 625772985 /nfs/dbraw/zinc/77/29/85/625772985.db2.gz BYGBFUGAEJKAEG-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695390 634450847 /nfs/dbraw/zinc/45/08/47/634450847.db2.gz SQMUPECFMRKVGN-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999225365 634516255 /nfs/dbraw/zinc/51/62/55/634516255.db2.gz ULRJDHFBOYNCJB-UHFFFAOYSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000999507496 634612999 /nfs/dbraw/zinc/61/29/99/634612999.db2.gz ZZUAOFZYJWKISI-GTPINHCMSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999561021 634629661 /nfs/dbraw/zinc/62/96/61/634629661.db2.gz NGYFEDLTZCNHHU-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974649487 633208311 /nfs/dbraw/zinc/20/83/11/633208311.db2.gz GVVKJKSLMIXKTJ-IRXDYDNUSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996450607 633263312 /nfs/dbraw/zinc/26/33/12/633263312.db2.gz VQQLBZPPXBZYKC-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000996474654 633264906 /nfs/dbraw/zinc/26/49/06/633264906.db2.gz DFJFMCUOSGGIOK-INIZCTEOSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000996501747 633274442 /nfs/dbraw/zinc/27/44/42/633274442.db2.gz MMQMUVABGIJGFD-KRWDZBQOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000996663438 633338257 /nfs/dbraw/zinc/33/82/57/633338257.db2.gz OQEOYRRHBKJFIV-KRWDZBQOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997203457 633675014 /nfs/dbraw/zinc/67/50/14/633675014.db2.gz QZJFCWDEFGSRGK-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027460474 633828053 /nfs/dbraw/zinc/82/80/53/633828053.db2.gz LPLWCWHKXFZDJQ-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997677877 633929430 /nfs/dbraw/zinc/92/94/30/633929430.db2.gz VFONABCKVKWRGZ-AWEZNQCLSA-N 2 0 312.417 2.351 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001027541622 634060866 /nfs/dbraw/zinc/06/08/66/634060866.db2.gz WGWTVBRDAQWTOH-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027637123 634359411 /nfs/dbraw/zinc/35/94/11/634359411.db2.gz MEVUACUAYCVYSY-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027877710 634845779 /nfs/dbraw/zinc/84/57/79/634845779.db2.gz ABTFLZQJRKIDRI-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925773458 635007269 /nfs/dbraw/zinc/00/72/69/635007269.db2.gz YMYMVKIFYQKFQC-HFTRVMKXSA-N 2 0 302.418 2.159 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980471749 635012988 /nfs/dbraw/zinc/01/29/88/635012988.db2.gz PDSPWTKKLUKBFD-QGZVFWFLSA-N 2 0 301.434 2.081 20 30 DEEDRP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169406 635340143 /nfs/dbraw/zinc/34/01/43/635340143.db2.gz WFNJSADQAFXCPY-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000981438168 635483033 /nfs/dbraw/zinc/48/30/33/635483033.db2.gz KGVMEFNZMRLUIE-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404153 635488083 /nfs/dbraw/zinc/48/80/83/635488083.db2.gz GZABJMDKRJMXEL-ROUUACIJSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001001582835 635528607 /nfs/dbraw/zinc/52/86/07/635528607.db2.gz PBBZEJVPSGNMGY-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001764003 635550790 /nfs/dbraw/zinc/55/07/90/635550790.db2.gz FGMPYLGIAUNXIE-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981767083 635635493 /nfs/dbraw/zinc/63/54/93/635635493.db2.gz HJGRNUWFESWRFS-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009112 635808239 /nfs/dbraw/zinc/80/82/39/635808239.db2.gz FVIASOBPDBMHBB-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)Cn3ccnc3C(C)C)C2)C1 ZINC000982042847 635841879 /nfs/dbraw/zinc/84/18/79/635841879.db2.gz URDXHHBITFGWEK-UHFFFAOYSA-N 2 0 316.449 2.117 20 30 DEEDRP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000982084679 635856716 /nfs/dbraw/zinc/85/67/16/635856716.db2.gz XSUBTRALXWFECT-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000982163488 635890614 /nfs/dbraw/zinc/89/06/14/635890614.db2.gz CJKWYFLNXFZKAI-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000922386581 636151892 /nfs/dbraw/zinc/15/18/92/636151892.db2.gz GKIXFEJXKFYEBU-WCXIOVBPSA-N 2 0 319.474 2.189 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573062 636349904 /nfs/dbraw/zinc/34/99/04/636349904.db2.gz IHMADUFTYMMTND-CQSZACIVSA-N 2 0 321.490 2.438 20 30 DEEDRP 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 636450785 /nfs/dbraw/zinc/45/07/85/636450785.db2.gz AQUWEXONUYXNSQ-QRQLOZEOSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001005474365 636748629 /nfs/dbraw/zinc/74/86/29/636748629.db2.gz BYOFGBZPXAOHNQ-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC001005891859 636940066 /nfs/dbraw/zinc/94/00/66/636940066.db2.gz JWGHOBFYYCDPEV-UHFFFAOYSA-N 2 0 305.422 2.064 20 30 DEEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005991549 637046069 /nfs/dbraw/zinc/04/60/69/637046069.db2.gz OUNDJLZZPGTLRM-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006291639 637331138 /nfs/dbraw/zinc/33/11/38/637331138.db2.gz GPDGLMMQKLQCMW-WMZOPIPTSA-N 2 0 319.493 2.053 20 30 DEEDRP C[C@H](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000895291723 637891586 /nfs/dbraw/zinc/89/15/86/637891586.db2.gz BYRNYBHSJHWLKF-OAHLLOKOSA-N 2 0 300.450 2.457 20 30 DEEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000303259111 639406619 /nfs/dbraw/zinc/40/66/19/639406619.db2.gz LRJHVPCOMKCFMX-QGZVFWFLSA-N 2 0 318.465 2.112 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000987592108 640230686 /nfs/dbraw/zinc/23/06/86/640230686.db2.gz YKITTWQKOPBZPE-GOEBONIOSA-N 2 0 319.449 2.500 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000763970955 640590800 /nfs/dbraw/zinc/59/08/00/640590800.db2.gz JRYKDCYATDYLOS-KRWDZBQOSA-N 2 0 303.450 2.086 20 30 DEEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000989456757 641052877 /nfs/dbraw/zinc/05/28/77/641052877.db2.gz DTXLAFCGYUTQNK-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCN1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989459246 641063655 /nfs/dbraw/zinc/06/36/55/641063655.db2.gz URLRKMWBHNBYOG-IBGZPJMESA-N 2 0 315.461 2.184 20 30 DEEDRP CCO[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000926958878 641538012 /nfs/dbraw/zinc/53/80/12/641538012.db2.gz HXIDSRXMHRHKCY-WMZOPIPTSA-N 2 0 301.434 2.492 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000900014463 642237097 /nfs/dbraw/zinc/23/70/97/642237097.db2.gz XTALJKZQHOCJBT-MRXNPFEDSA-N 2 0 307.413 2.053 20 30 DEEDRP FC(F)(F)CC[NH+]1CCC(=NNCC[NH+]2CCCCC2)CC1 ZINC000779773818 642535839 /nfs/dbraw/zinc/53/58/39/642535839.db2.gz UMUNDKRUNBQWBS-UHFFFAOYSA-N 2 0 320.403 2.466 20 30 DEEDRP C[C@H]1CNC(NN=C2CCCC[C@@H]2[N@H+]2C[C@H](C)C[C@H](C)C2)=[NH+]1 ZINC000779797188 642540079 /nfs/dbraw/zinc/54/00/79/642540079.db2.gz BJUCOIRDHKEEBI-FQLMCAECSA-N 2 0 305.470 2.200 20 30 DEEDRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H](C)c2cccc(C#N)c2)cnn1C ZINC000903950822 643527280 /nfs/dbraw/zinc/52/72/80/643527280.db2.gz RNFXNHZVCFXXIN-XJKSGUPXSA-N 2 0 311.433 2.068 20 30 DEEDRP C=C(C)CN1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905095113 643798877 /nfs/dbraw/zinc/79/88/77/643798877.db2.gz IGQDWBMRLCCYAC-KRWDZBQOSA-N 2 0 310.482 2.063 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992194292 646896753 /nfs/dbraw/zinc/89/67/53/646896753.db2.gz XMTAAQMQKMZYOB-SOLBZPMBSA-N 2 0 305.466 2.018 20 30 DEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCSC2(CCCCC2)C1 ZINC000153566692 647514847 /nfs/dbraw/zinc/51/48/47/647514847.db2.gz FJRZFFQLWOVTTF-OAHLLOKOSA-N 2 0 324.538 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994128945 647790670 /nfs/dbraw/zinc/79/06/70/647790670.db2.gz FDPUHYHRNNXRCZ-AEFFLSMTSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842447 648954605 /nfs/dbraw/zinc/95/46/05/648954605.db2.gz GYKLSMAMNGWWRV-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372329 649096999 /nfs/dbraw/zinc/09/69/99/649096999.db2.gz CEGDYHAYAFZRPT-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC000942053853 649145099 /nfs/dbraw/zinc/14/50/99/649145099.db2.gz UYRUQAIAERJBPZ-RHSMWYFYSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582077 649253631 /nfs/dbraw/zinc/25/36/31/649253631.db2.gz ROXXCCVDEHITSN-HOCLYGCPSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028579 649600129 /nfs/dbraw/zinc/60/01/29/649600129.db2.gz JTYLEOXMSVDVAT-YJBOKZPZSA-N 2 0 315.461 2.374 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575171 649650461 /nfs/dbraw/zinc/65/04/61/649650461.db2.gz QTELGCVOYWXCBD-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000854514681 651493101 /nfs/dbraw/zinc/49/31/01/651493101.db2.gz HDGGPUZUJHFUQD-SJLPKXTDSA-N 2 0 313.445 2.247 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854677423 651534159 /nfs/dbraw/zinc/53/41/59/651534159.db2.gz JKVWVNGAJDTHLJ-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP CCO[C@H](CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)C1CCCC1 ZINC000304473879 685255244 /nfs/dbraw/zinc/25/52/44/685255244.db2.gz FUSPKGBQBFCNAR-DLBZAZTESA-N 2 0 324.513 2.360 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1C ZINC000304813453 685261706 /nfs/dbraw/zinc/26/17/06/685261706.db2.gz YZGUCZHSEAIORY-HOTGVXAUSA-N 2 0 318.465 2.151 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054146415 693862201 /nfs/dbraw/zinc/86/22/01/693862201.db2.gz DAGYPKXPXRVVDJ-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001054905467 694068703 /nfs/dbraw/zinc/06/87/03/694068703.db2.gz FTTKURJVJBLFLB-NHYWBVRUSA-N 2 0 318.808 2.137 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016860959 687720897 /nfs/dbraw/zinc/72/08/97/687720897.db2.gz LHKDQHMREYLXFX-IRXDYDNUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016892912 687728297 /nfs/dbraw/zinc/72/82/97/687728297.db2.gz REOKSRMOXOHGBK-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017694724 687939902 /nfs/dbraw/zinc/93/99/02/687939902.db2.gz ABWVNLFKVCNHDI-KSZLIROESA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018302409 688105427 /nfs/dbraw/zinc/10/54/27/688105427.db2.gz OWZTXMWPRVRGDT-LUKYLMHMSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001019279563 688318483 /nfs/dbraw/zinc/31/84/83/688318483.db2.gz IABONVHVJZIGSO-DOTOQJQBSA-N 2 0 305.466 2.160 20 30 DEEDRP N#CC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000930564796 694190116 /nfs/dbraw/zinc/19/01/16/694190116.db2.gz NMVHQJQJURPQQT-GOSISDBHSA-N 2 0 313.445 2.249 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028766196 688543016 /nfs/dbraw/zinc/54/30/16/688543016.db2.gz OCBRZVGGOYVWOV-HNNXBMFYSA-N 2 0 319.449 2.359 20 30 DEEDRP N#CC1CCC(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000930672948 694215495 /nfs/dbraw/zinc/21/54/95/694215495.db2.gz DATBDZLCNCLIFD-UHFFFAOYSA-N 2 0 305.466 2.143 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)C(C)C ZINC000870864183 688671171 /nfs/dbraw/zinc/67/11/71/688671171.db2.gz TXXIZGVBQYIOTL-ULQDDVLXSA-N 2 0 307.482 2.319 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031672929 688977862 /nfs/dbraw/zinc/97/78/62/688977862.db2.gz SIEIVBWEGJFAHX-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP CC1(C#N)CCC([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CC1 ZINC000873243440 689192142 /nfs/dbraw/zinc/19/21/42/689192142.db2.gz KXBATDAEBRYFNQ-UHFFFAOYSA-N 2 0 324.432 2.288 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223627 689430169 /nfs/dbraw/zinc/43/01/69/689430169.db2.gz RUCWLFIEKKRMNO-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033350442 689472834 /nfs/dbraw/zinc/47/28/34/689472834.db2.gz BFLQBULGZYDZGR-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012402 689692895 /nfs/dbraw/zinc/69/28/95/689692895.db2.gz NJBGAFSRMAFYJX-GOSISDBHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046081 689705049 /nfs/dbraw/zinc/70/50/49/689705049.db2.gz PPVRMEXAPZSRIR-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204702 689761353 /nfs/dbraw/zinc/76/13/53/689761353.db2.gz PGFAGKGBDDVCGF-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034211805 689764588 /nfs/dbraw/zinc/76/45/88/689764588.db2.gz OPVJFGCBMRJEDM-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034284955 689795228 /nfs/dbraw/zinc/79/52/28/689795228.db2.gz AIVQUAQJPQYAMB-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034439268 689851165 /nfs/dbraw/zinc/85/11/65/689851165.db2.gz SSRAQDNSZFCMRK-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034486561 689869706 /nfs/dbraw/zinc/86/97/06/689869706.db2.gz BGXRHKIQJSPJPC-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000876709260 689911514 /nfs/dbraw/zinc/91/15/14/689911514.db2.gz NHGIACFLTFNXJQ-HOTGVXAUSA-N 2 0 323.868 2.438 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876773950 689933554 /nfs/dbraw/zinc/93/35/54/689933554.db2.gz ZGECCRFGUAJQGU-JKSUJKDBSA-N 2 0 321.852 2.189 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034796951 689949478 /nfs/dbraw/zinc/94/94/78/689949478.db2.gz RTOYUZJKHZKPDC-QAETUUGQSA-N 2 0 307.482 2.452 20 30 DEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001034795628 689949764 /nfs/dbraw/zinc/94/97/64/689949764.db2.gz MTLLZTLKVFUTSA-QAQDUYKDSA-N 2 0 313.445 2.012 20 30 DEEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035196571 690056213 /nfs/dbraw/zinc/05/62/13/690056213.db2.gz PATZGZWRYJYZGZ-KRWDZBQOSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035704874 690156140 /nfs/dbraw/zinc/15/61/40/690156140.db2.gz MIXMKNAYFQNQIN-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001035722441 690160903 /nfs/dbraw/zinc/16/09/03/690160903.db2.gz UKLQECDQHUEYBF-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035797179 690178610 /nfs/dbraw/zinc/17/86/10/690178610.db2.gz FDINOBAQLYLSKC-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035858763 690195237 /nfs/dbraw/zinc/19/52/37/690195237.db2.gz ZCBAJMJFZWIHDQ-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001036314705 690318736 /nfs/dbraw/zinc/31/87/36/690318736.db2.gz ZXQKUZJXZOWABU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820579 690485744 /nfs/dbraw/zinc/48/57/44/690485744.db2.gz LHKYGCIBNGHRFR-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859457 690501432 /nfs/dbraw/zinc/50/14/32/690501432.db2.gz QBDKWHJPKYZSSJ-ROUUACIJSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903586 690522472 /nfs/dbraw/zinc/52/24/72/690522472.db2.gz CPZDMYSMQJROMA-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP COCC[N@H+](CC#Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000879125486 690573419 /nfs/dbraw/zinc/57/34/19/690573419.db2.gz CCIHXWZPPIMZED-UHFFFAOYSA-N 2 0 318.436 2.467 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001037981891 690656343 /nfs/dbraw/zinc/65/63/43/690656343.db2.gz HKEYWNRVNJCKAG-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038246093 690756093 /nfs/dbraw/zinc/75/60/93/690756093.db2.gz BOPGUIASWQRGFG-SJLPKXTDSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040240150 691218460 /nfs/dbraw/zinc/21/84/60/691218460.db2.gz CHSYFRPJJNDATP-IEBWSBKVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395435 691242601 /nfs/dbraw/zinc/24/26/01/691242601.db2.gz PYINEJARSARNSX-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001040727490 691282938 /nfs/dbraw/zinc/28/29/38/691282938.db2.gz RWRHOOHFGHCRLC-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848969 691292816 /nfs/dbraw/zinc/29/28/16/691292816.db2.gz MZPGJRQGVUNUQM-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041588901 691398010 /nfs/dbraw/zinc/39/80/10/691398010.db2.gz ZVFYLEUYSBESJN-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000883172303 691447875 /nfs/dbraw/zinc/44/78/75/691447875.db2.gz CWQOWXTXRYISFF-QZTJIDSGSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCCO1 ZINC000883207623 691457093 /nfs/dbraw/zinc/45/70/93/691457093.db2.gz PVSAYPOCRLIMRM-RDGPPVDQSA-N 2 0 322.493 2.468 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042134273 691517609 /nfs/dbraw/zinc/51/76/09/691517609.db2.gz OEMTXMKCNQHYBA-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027090 691986513 /nfs/dbraw/zinc/98/65/13/691986513.db2.gz CBVLCTSWUAOURW-DLBZAZTESA-N 2 0 305.466 2.095 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001045535601 691994517 /nfs/dbraw/zinc/99/45/17/691994517.db2.gz ZRYBNIYURBWYBI-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001045609171 692004593 /nfs/dbraw/zinc/00/45/93/692004593.db2.gz WCTICAUJSNEHHV-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942814 692058845 /nfs/dbraw/zinc/05/88/45/692058845.db2.gz AFLUHOYTQRHABV-PKOBYXMFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045949094 692060369 /nfs/dbraw/zinc/06/03/69/692060369.db2.gz XRFMPTZWGCPTHO-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045948153 692061046 /nfs/dbraw/zinc/06/10/46/692061046.db2.gz WNXIEECKCFQVDA-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)CCCCCC)C1CC[NH+](C)CC1 ZINC000886582128 692117608 /nfs/dbraw/zinc/11/76/08/692117608.db2.gz HDKDUFTZRKSXCG-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000887132721 692287692 /nfs/dbraw/zinc/28/76/92/692287692.db2.gz LRORCSDIJAAYKI-DNVCBOLYSA-N 2 0 322.412 2.197 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059907 692753743 /nfs/dbraw/zinc/75/37/43/692753743.db2.gz JQDHJSJQGRNOKZ-CALCHBBNSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049486543 692897756 /nfs/dbraw/zinc/89/77/56/692897756.db2.gz REGMSCFHYKQKQV-TVFCKZIOSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049518115 692909086 /nfs/dbraw/zinc/90/90/86/692909086.db2.gz QFDXBJNLPGHJQN-JKSUJKDBSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571572 692925263 /nfs/dbraw/zinc/92/52/63/692925263.db2.gz DVXXROQQUIWTCS-DLBZAZTESA-N 2 0 310.401 2.199 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049718395 692975238 /nfs/dbraw/zinc/97/52/38/692975238.db2.gz IYWOAWGXQPZTJU-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049724862 692977265 /nfs/dbraw/zinc/97/72/65/692977265.db2.gz UGBMZRPPGWZTLW-GVDBMIGSSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001050765473 693247181 /nfs/dbraw/zinc/24/71/81/693247181.db2.gz RNANWMYCQUEROX-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C[C@@H]1[NH2+]CCC[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000925703311 693327395 /nfs/dbraw/zinc/32/73/95/693327395.db2.gz SVKRWJGDGXRMHP-HNAYVOBHSA-N 2 0 312.461 2.253 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925725092 693330602 /nfs/dbraw/zinc/33/06/02/693330602.db2.gz HACAYCBEZHWPTQ-WLWDNUHBSA-N 2 0 322.456 2.113 20 30 DEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925725270 693330755 /nfs/dbraw/zinc/33/07/55/693330755.db2.gz IJDMMUZQVPWVSF-GOSISDBHSA-N 2 0 310.445 2.401 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513727 693553702 /nfs/dbraw/zinc/55/37/02/693553702.db2.gz INKQYEHTXIGZNT-MRXNPFEDSA-N 2 0 324.428 2.250 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658387 693590243 /nfs/dbraw/zinc/59/02/43/693590243.db2.gz MFKXJJXBYKHIAW-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052713505 693602264 /nfs/dbraw/zinc/60/22/64/693602264.db2.gz YOJKSHDRJDBAFN-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001402286657 1162315420 /nfs/dbraw/zinc/31/54/20/1162315420.db2.gz CWVWQOTYXAEVTK-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001332412460 1149857675 /nfs/dbraw/zinc/85/76/75/1149857675.db2.gz FAMOFYFJKMSXMO-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001380159536 1152759503 /nfs/dbraw/zinc/75/95/03/1152759503.db2.gz YDKGOVGTINQLLY-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP CC(C)C[NH+]1CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC1 ZINC001361916185 1152775260 /nfs/dbraw/zinc/77/52/60/1152775260.db2.gz MNNHJANIHFCCSH-UHFFFAOYSA-N 2 0 322.497 2.048 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001380275862 1152779934 /nfs/dbraw/zinc/77/99/34/1152779934.db2.gz XAEKVSSEQJMUDD-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001394414083 1158501630 /nfs/dbraw/zinc/50/16/30/1158501630.db2.gz WQDGROBSNNBYQO-HUUCEWRRSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001376914985 1159844845 /nfs/dbraw/zinc/84/48/45/1159844845.db2.gz VHTUOHNQSSMBLH-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001397261284 1160090171 /nfs/dbraw/zinc/09/01/71/1160090171.db2.gz DPARBCAPIUEACT-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]21 ZINC001406186456 1164498890 /nfs/dbraw/zinc/49/88/90/1164498890.db2.gz OKWVTQJVNULJKH-HUUCEWRRSA-N 2 0 313.873 2.002 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001408006510 1165430428 /nfs/dbraw/zinc/43/04/28/1165430428.db2.gz VAOXZMZXBMTULW-UHFFFAOYSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001418168190 1167455924 /nfs/dbraw/zinc/45/59/24/1167455924.db2.gz PKNYIPHNRLIOPP-HNNXBMFYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001418422859 1167644330 /nfs/dbraw/zinc/64/43/30/1167644330.db2.gz BHCUJQNUHVJPGC-CQSZACIVSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001419478962 1168520756 /nfs/dbraw/zinc/52/07/56/1168520756.db2.gz DEDZCRSRWMEOPS-LLVKDONJSA-N 2 0 320.824 2.351 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001420690951 1169868379 /nfs/dbraw/zinc/86/83/79/1169868379.db2.gz NJPCJDFELGJHNY-CABCVRRESA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001422928779 1172948617 /nfs/dbraw/zinc/94/86/17/1172948617.db2.gz SXQFYNXZYHZOSA-UHFFFAOYSA-N 2 0 301.862 2.004 20 30 DEEDRP C=C(Cl)CN(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001424339978 1173765728 /nfs/dbraw/zinc/76/57/28/1173765728.db2.gz MDKLCAXREYARAF-OAHLLOKOSA-N 2 0 315.889 2.394 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001425505390 1174343046 /nfs/dbraw/zinc/34/30/46/1174343046.db2.gz IVKYQPJJSRPJPF-CABCVRRESA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001436367804 1179064356 /nfs/dbraw/zinc/06/43/56/1179064356.db2.gz NNRHSNQMTWZKMD-GASCZTMLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001438805697 1180818449 /nfs/dbraw/zinc/81/84/49/1180818449.db2.gz QHMGXGWBSFFRDU-HUUCEWRRSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001439212936 1180942256 /nfs/dbraw/zinc/94/22/56/1180942256.db2.gz FDSBHLIHOGDFDO-ZFWWWQNUSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001439257085 1180971752 /nfs/dbraw/zinc/97/17/52/1180971752.db2.gz KGYCGWBGZDIGGS-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001441848631 1182213218 /nfs/dbraw/zinc/21/32/18/1182213218.db2.gz ZQGYAEXYHQYZKV-KBPBESRZSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001445497447 1183886466 /nfs/dbraw/zinc/88/64/66/1183886466.db2.gz KGBHNFKVGAROSB-CYBMUJFWSA-N 2 0 309.841 2.209 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001446017155 1184180778 /nfs/dbraw/zinc/18/07/78/1184180778.db2.gz SJUXDCKRXJKHJB-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)CN1CCC[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001446704587 1184515807 /nfs/dbraw/zinc/51/58/07/1184515807.db2.gz ZCXJHMKONNTXGY-HOCLYGCPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001332409691 1149857533 /nfs/dbraw/zinc/85/75/33/1149857533.db2.gz OFIYTOSHLWNVCW-DLBZAZTESA-N 2 0 319.424 2.195 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106776503 782930004 /nfs/dbraw/zinc/93/00/04/782930004.db2.gz QACZNDZBVLKLBL-KURKYZTESA-N 2 0 321.509 2.060 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882554 783023592 /nfs/dbraw/zinc/02/35/92/783023592.db2.gz XFNIXMFPIITBTP-IXDOHACOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663555 783201078 /nfs/dbraw/zinc/20/10/78/783201078.db2.gz XCSAGLHYNAQPKE-DZGCQCFKSA-N 2 0 305.422 2.110 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115571609 776551329 /nfs/dbraw/zinc/55/13/29/776551329.db2.gz GZJOKHBTURCYIP-KRWDZBQOSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208457165 776594455 /nfs/dbraw/zinc/59/44/55/776594455.db2.gz RPBYGNOIEAWQIM-MRXNPFEDSA-N 2 0 316.449 2.065 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988617 777143055 /nfs/dbraw/zinc/14/30/55/777143055.db2.gz IRPXIPNDVDBDJF-MLHJIOFPSA-N 2 0 321.509 2.365 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001104804082 778187303 /nfs/dbraw/zinc/18/73/03/778187303.db2.gz NMANIEFIVUXKKO-KURKYZTESA-N 2 0 321.509 2.060 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104812739 778194224 /nfs/dbraw/zinc/19/42/24/778194224.db2.gz UANMCZYHTCKVFU-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529854 778608481 /nfs/dbraw/zinc/60/84/81/778608481.db2.gz RRMAILMFYZWJMJ-AOIWGVFYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001112531076 778647888 /nfs/dbraw/zinc/64/78/88/778647888.db2.gz DBTFPQSTTNPREJ-BQFCYCMXSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001073462963 790670864 /nfs/dbraw/zinc/67/08/64/790670864.db2.gz ZRJZUIDMDCNBBO-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129584 779718472 /nfs/dbraw/zinc/71/84/72/779718472.db2.gz VGFNVIXLRJRSMN-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311835 779936064 /nfs/dbraw/zinc/93/60/64/779936064.db2.gz IEAMJRKVRIJRHJ-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088326808 779960854 /nfs/dbraw/zinc/96/08/54/779960854.db2.gz YAYFWMIYGDBHNG-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001088347648 780004275 /nfs/dbraw/zinc/00/42/75/780004275.db2.gz XGQKONAFWOHROP-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001088414574 780088911 /nfs/dbraw/zinc/08/89/11/780088911.db2.gz KRMWTDBFURANNR-OAHLLOKOSA-N 2 0 316.449 2.308 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001088414573 780089035 /nfs/dbraw/zinc/08/90/35/780089035.db2.gz KRMWTDBFURANNR-HNNXBMFYSA-N 2 0 316.449 2.308 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075881177 780275316 /nfs/dbraw/zinc/27/53/16/780275316.db2.gz HHTYFBMPWYMQFN-RCCFBDPRSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1C ZINC001088657189 780695844 /nfs/dbraw/zinc/69/58/44/780695844.db2.gz VZVKEWSETRESLB-CVEARBPZSA-N 2 0 318.465 2.472 20 30 DEEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576516 780772649 /nfs/dbraw/zinc/77/26/49/780772649.db2.gz GACVJMNSPKJLIL-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576649 780773206 /nfs/dbraw/zinc/77/32/06/780773206.db2.gz KAAKYYRRQPLQAC-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732141 783396097 /nfs/dbraw/zinc/39/60/97/783396097.db2.gz NLKIHLGDEAUZCW-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001085284714 783619479 /nfs/dbraw/zinc/61/94/79/783619479.db2.gz IVXOLZKGDJQRDP-BRWVUGGUSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085306883 783633530 /nfs/dbraw/zinc/63/35/30/783633530.db2.gz VMYKRWAJXROMLK-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379545 784340482 /nfs/dbraw/zinc/34/04/82/784340482.db2.gz YSXUBEAQMMERIO-HUUCEWRRSA-N 2 0 304.438 2.019 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001114920987 784489201 /nfs/dbraw/zinc/48/92/01/784489201.db2.gz DYQSLFSGAYTINV-BDXSIMOUSA-N 2 0 319.493 2.264 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968849695 784616487 /nfs/dbraw/zinc/61/64/87/784616487.db2.gz DDGBFYWHFWMCBE-ROUUACIJSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086455988 784747997 /nfs/dbraw/zinc/74/79/97/784747997.db2.gz MNKROHHBLPGNLN-BQFCYCMXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497185 784794403 /nfs/dbraw/zinc/79/44/03/784794403.db2.gz AMAPFDCZYVCXHP-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171235085 791078552 /nfs/dbraw/zinc/07/85/52/791078552.db2.gz DMAAQHBBLKKYON-ZWKOTPCHSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171235082 791078736 /nfs/dbraw/zinc/07/87/36/791078736.db2.gz DMAAQHBBLKKYON-MSOLQXFVSA-N 2 0 321.509 2.252 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001108702914 785501036 /nfs/dbraw/zinc/50/10/36/785501036.db2.gz GHEAIADFHPAIOO-BBWFWOEESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108786323 785533879 /nfs/dbraw/zinc/53/38/79/785533879.db2.gz XLFUTIHPUZBXSG-BZSNNMDCSA-N 2 0 319.493 2.264 20 30 DEEDRP 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 785559282 /nfs/dbraw/zinc/55/92/82/785559282.db2.gz IZWDBBOEZPUMIR-ZNMIVQPWSA-N 2 0 313.873 2.048 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112910940 786291113 /nfs/dbraw/zinc/29/11/13/786291113.db2.gz MNONZHRQAHRIFY-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731179 786729407 /nfs/dbraw/zinc/72/94/07/786729407.db2.gz ZNVYYYWKUZJBFO-RDJZCZTQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001086621403 787195885 /nfs/dbraw/zinc/19/58/85/787195885.db2.gz SWSCKWZSEHPFHR-FUHWJXTLSA-N 2 0 324.428 2.031 20 30 DEEDRP 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 787449917 /nfs/dbraw/zinc/44/99/17/787449917.db2.gz GOIHRPKPAVQGBS-NCOADZHNSA-N 2 0 305.466 2.158 20 30 DEEDRP 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 787450313 /nfs/dbraw/zinc/45/03/13/787450313.db2.gz MKMQOUZDWPUXGH-YVSFHVDLSA-N 2 0 305.466 2.016 20 30 DEEDRP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001132366166 788042599 /nfs/dbraw/zinc/04/25/99/788042599.db2.gz XHYBLUDEIRSWDH-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097445020 788099766 /nfs/dbraw/zinc/09/97/66/788099766.db2.gz TYXQEUTZQRVEGO-OIISXLGYSA-N 2 0 310.401 2.246 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888312 788219145 /nfs/dbraw/zinc/21/91/45/788219145.db2.gz MBXVWFVWZVYBMY-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132937040 788231221 /nfs/dbraw/zinc/23/12/21/788231221.db2.gz FVKZDHJTQYXTGV-JKSUJKDBSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132937249 788231266 /nfs/dbraw/zinc/23/12/66/788231266.db2.gz IZMFQMRKKBNELJ-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001133073544 788269131 /nfs/dbraw/zinc/26/91/31/788269131.db2.gz VTMOZCJHBFPHOY-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133123047 788288801 /nfs/dbraw/zinc/28/88/01/788288801.db2.gz XYZUPKQGHLBJRA-CVEARBPZSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133337063 788371154 /nfs/dbraw/zinc/37/11/54/788371154.db2.gz IKJMVVYVZDNLRT-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345928 788375249 /nfs/dbraw/zinc/37/52/49/788375249.db2.gz IHABEUKTCLYWJQ-IRXDYDNUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584782 788989159 /nfs/dbraw/zinc/98/91/59/788989159.db2.gz XAXFRIYBGFQREO-CHWSQXEVSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808284 789096987 /nfs/dbraw/zinc/09/69/87/789096987.db2.gz GXQDTOVJNYOORJ-OLZOCXBDSA-N 2 0 300.406 2.315 20 30 DEEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001135077227 789190392 /nfs/dbraw/zinc/19/03/92/789190392.db2.gz MOBHMHMNEUYDNH-HOTGVXAUSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086746159 789415713 /nfs/dbraw/zinc/41/57/13/789415713.db2.gz JRZJHNAYIMGBFJ-GOEBONIOSA-N 2 0 312.417 2.399 20 30 DEEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675968 789443076 /nfs/dbraw/zinc/44/30/76/789443076.db2.gz OFKCFQQYYTVDOA-CVEARBPZSA-N 2 0 315.461 2.258 20 30 DEEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135690901 789450658 /nfs/dbraw/zinc/45/06/58/789450658.db2.gz LOWTZKXIAOFAPI-SJORKVTESA-N 2 0 309.498 2.395 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001146706221 791344758 /nfs/dbraw/zinc/34/47/58/791344758.db2.gz BNXNABLZNJIVMJ-DLBZAZTESA-N 2 0 315.461 2.015 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171307926 791558313 /nfs/dbraw/zinc/55/83/13/791558313.db2.gz NQPOKSKMNFUSFJ-AEFFLSMTSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147809836 791620199 /nfs/dbraw/zinc/62/01/99/791620199.db2.gz IXGQUWAIXPOIJU-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754101 791814488 /nfs/dbraw/zinc/81/44/88/791814488.db2.gz DCMXJSYYRXSWRC-AOIWGVFYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001098845133 791961761 /nfs/dbraw/zinc/96/17/61/791961761.db2.gz OPCRQKVJYMKVIN-NTDBWNAOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303149 791973608 /nfs/dbraw/zinc/97/36/08/791973608.db2.gz VEKDCVCQHHJWMT-AOIWGVFYSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100680917 792785773 /nfs/dbraw/zinc/78/57/73/792785773.db2.gz LTEFLFSRYHRFBW-UHFFFAOYSA-N 2 0 315.889 2.201 20 30 DEEDRP CCCCCCC[NH2+]C1CC(CNC(=O)Cc2c[nH]cn2)C1 ZINC001100710546 792803073 /nfs/dbraw/zinc/80/30/73/792803073.db2.gz WPNBREYLLIYMIS-UHFFFAOYSA-N 2 0 306.454 2.407 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100758986 792828060 /nfs/dbraw/zinc/82/80/60/792828060.db2.gz YLTQYPLNTDQSHE-UHFFFAOYSA-N 2 0 315.461 2.422 20 30 DEEDRP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980798 792953981 /nfs/dbraw/zinc/95/39/81/792953981.db2.gz GOMPYLWHPSEBLW-AQFXKWCLSA-N 2 0 309.498 2.393 20 30 DEEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363938 793133791 /nfs/dbraw/zinc/13/37/91/793133791.db2.gz GZQOJEAZBFIAHP-LMMKCTJWSA-N 2 0 319.493 2.075 20 30 DEEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001101591242 793253600 /nfs/dbraw/zinc/25/36/00/793253600.db2.gz NUVVGTBENOLRKT-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP CC(C)[NH+]1CCN(CC[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172302674 793393336 /nfs/dbraw/zinc/39/33/36/793393336.db2.gz ORFJUAJCTHIQCG-QGZVFWFLSA-N 2 0 314.477 2.105 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059111 793491333 /nfs/dbraw/zinc/49/13/33/793491333.db2.gz BIFNWJFJRKBJIN-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189122 793525237 /nfs/dbraw/zinc/52/52/37/793525237.db2.gz XFXKOVFOWHOMLV-NXHRZFHOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189999 793525245 /nfs/dbraw/zinc/52/52/45/793525245.db2.gz MPNMVIRHCXMNKG-KBAYOESNSA-N 2 0 319.493 2.121 20 30 DEEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1C#N ZINC001172967243 793545548 /nfs/dbraw/zinc/54/55/48/793545548.db2.gz VASLEKDHUDSCLS-XGUBFFRZSA-N 2 0 322.453 2.138 20 30 DEEDRP C=CCOC1CCC([NH2+]CC2(N(C)C)CC[NH+](C)CC2)CC1 ZINC001173312096 793673518 /nfs/dbraw/zinc/67/35/18/793673518.db2.gz UQCMZTUOTAJEAA-UHFFFAOYSA-N 2 0 309.498 2.116 20 30 DEEDRP CC[NH+](CC)CCN1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173331359 793680002 /nfs/dbraw/zinc/68/00/02/793680002.db2.gz CNBSACHHAFKPQW-UHFFFAOYSA-N 2 0 306.498 2.418 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782720 793754239 /nfs/dbraw/zinc/75/42/39/793754239.db2.gz PDCUXZNHQHDUNX-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083915 793933896 /nfs/dbraw/zinc/93/38/96/793933896.db2.gz OYNLOESGFFEAMQ-KURKYZTESA-N 2 0 321.509 2.225 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103156816 793960878 /nfs/dbraw/zinc/96/08/78/793960878.db2.gz XWNJDTUVZDTVEK-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001174882790 794082297 /nfs/dbraw/zinc/08/22/97/794082297.db2.gz XHTLQFHYWDXFAB-IRXDYDNUSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175295130 794169183 /nfs/dbraw/zinc/16/91/83/794169183.db2.gz BLNDGYCZZZJWIB-MRXNPFEDSA-N 2 0 309.498 2.252 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001176925788 794530208 /nfs/dbraw/zinc/53/02/08/794530208.db2.gz BRKVIJDJKHLYFG-QGZVFWFLSA-N 2 0 321.509 2.110 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401463 794623341 /nfs/dbraw/zinc/62/33/41/794623341.db2.gz FZZPGOBCWPJZAL-LPHOPBHVSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115563634 794822461 /nfs/dbraw/zinc/82/24/61/794822461.db2.gz YTJYAVKERMOACN-KRWDZBQOSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178484527 794935922 /nfs/dbraw/zinc/93/59/22/794935922.db2.gz UCNQWHUSXGVUHC-IRXDYDNUSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179476151 795122598 /nfs/dbraw/zinc/12/25/98/795122598.db2.gz NIFZZFAJLOFQAO-ZOBUZTSGSA-N 2 0 307.482 2.262 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001179746491 795171003 /nfs/dbraw/zinc/17/10/03/795171003.db2.gz VOZNAGLMORRIQC-KRWDZBQOSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCCCCC ZINC001179838788 795185278 /nfs/dbraw/zinc/18/52/78/795185278.db2.gz PWLQENKWBBLXRN-UHFFFAOYSA-N 2 0 309.498 2.398 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120020831 795393038 /nfs/dbraw/zinc/39/30/38/795393038.db2.gz KFJLWGMKZLJPKD-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001120188690 795419324 /nfs/dbraw/zinc/41/93/24/795419324.db2.gz BVEXEBLIBOPEFL-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120402878 795453523 /nfs/dbraw/zinc/45/35/23/795453523.db2.gz SUIZCZYWNGWHJA-IAGOWNOFSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120458662 795464236 /nfs/dbraw/zinc/46/42/36/795464236.db2.gz IEDCFQHHCLUECR-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121194000 795601504 /nfs/dbraw/zinc/60/15/04/795601504.db2.gz MKLRTTZLMHHGMS-RFSHTEQGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121773107 795685882 /nfs/dbraw/zinc/68/58/82/795685882.db2.gz OBSAGWVXGZIZLJ-VFIJXHPYSA-N 2 0 319.493 2.167 20 30 DEEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121790856 795687557 /nfs/dbraw/zinc/68/75/57/795687557.db2.gz DXAFMTJPWRPAFA-UHFFFAOYSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623241 795713668 /nfs/dbraw/zinc/71/36/68/795713668.db2.gz IAAJEOREKDBMGN-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629317 795714513 /nfs/dbraw/zinc/71/45/13/795714513.db2.gz COBLKOMOOXJDEV-YQVWRLOYSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001122018904 795716838 /nfs/dbraw/zinc/71/68/38/795716838.db2.gz ZLIQBWAKJIZUTF-KRWDZBQOSA-N 2 0 321.440 2.400 20 30 DEEDRP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001122243045 795739120 /nfs/dbraw/zinc/73/91/20/795739120.db2.gz YIQVWICVFIPLNP-RFSHTEQGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001122249177 795739738 /nfs/dbraw/zinc/73/97/38/795739738.db2.gz OUBFQIUULAWBQK-APUKJBRXSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184714334 796109030 /nfs/dbraw/zinc/10/90/30/796109030.db2.gz XMDBFRQUBRIJOI-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185170485 796202443 /nfs/dbraw/zinc/20/24/43/796202443.db2.gz PWIMLBFHQFSJDS-HOTGVXAUSA-N 2 0 309.498 2.225 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185680961 796308589 /nfs/dbraw/zinc/30/85/89/796308589.db2.gz HYFNNGKRXDEVGR-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187090576 796487258 /nfs/dbraw/zinc/48/72/58/796487258.db2.gz CLQBFJPOIOZIOC-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203029607 796515736 /nfs/dbraw/zinc/51/57/36/796515736.db2.gz UKWDSEGSPTVBLB-GJZGRUSLSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190246998 796967154 /nfs/dbraw/zinc/96/71/54/796967154.db2.gz JOSMXWXSFHDEIE-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190484728 797009086 /nfs/dbraw/zinc/00/90/86/797009086.db2.gz WYUWMNQSRGGURU-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190742178 797067104 /nfs/dbraw/zinc/06/71/04/797067104.db2.gz BGWHPDFTJSOISZ-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190742176 797067160 /nfs/dbraw/zinc/06/71/60/797067160.db2.gz BGWHPDFTJSOISZ-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507266 797222214 /nfs/dbraw/zinc/22/22/14/797222214.db2.gz JTWSIELCYMLMKP-QZTJIDSGSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551360 797225163 /nfs/dbraw/zinc/22/51/63/797225163.db2.gz KJOOQKZPGBDQHW-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275731 797697021 /nfs/dbraw/zinc/69/70/21/797697021.db2.gz XOENUWHJHFOYQJ-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001196163014 798014007 /nfs/dbraw/zinc/01/40/07/798014007.db2.gz FBVLDSLWBIMQGN-DOTOQJQBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001196201284 798019563 /nfs/dbraw/zinc/01/95/63/798019563.db2.gz XQWPHPMPSRTXPR-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196641413 798081706 /nfs/dbraw/zinc/08/17/06/798081706.db2.gz FSQZTFRGUQXOKU-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001197149576 798154706 /nfs/dbraw/zinc/15/47/06/798154706.db2.gz BLSKISAWGXKURQ-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197817902 798247858 /nfs/dbraw/zinc/24/78/58/798247858.db2.gz SXRGUJSCGSEPQR-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198129626 798281748 /nfs/dbraw/zinc/28/17/48/798281748.db2.gz SPNBZPBDVLMGJF-UHFFFAOYSA-N 2 0 307.482 2.363 20 30 DEEDRP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157951358 798311666 /nfs/dbraw/zinc/31/16/66/798311666.db2.gz WJPWVGVSQXBSQI-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089863 798340641 /nfs/dbraw/zinc/34/06/41/798340641.db2.gz FWYCPHVKFXAFEY-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158781061 798468467 /nfs/dbraw/zinc/46/84/67/798468467.db2.gz KHRFBZHRSOQTTB-QGZVFWFLSA-N 2 0 307.482 2.055 20 30 DEEDRP N#Cc1cc(Nc2ccc3c(c2)C[C@@H]([NH3+])C3)cc(C2C[NH2+]C2)c1 ZINC001159833552 798615069 /nfs/dbraw/zinc/61/50/69/798615069.db2.gz YKSPSKSLUOEUTR-KRWDZBQOSA-N 2 0 304.397 2.415 20 30 DEEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119666 798649778 /nfs/dbraw/zinc/64/97/78/798649778.db2.gz FVRCJFBTNMYMRV-GOSISDBHSA-N 2 0 317.477 2.021 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160479012 798694197 /nfs/dbraw/zinc/69/41/97/798694197.db2.gz IXWBVGAZIKUCKQ-QGZVFWFLSA-N 2 0 307.482 2.431 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201053745 798711545 /nfs/dbraw/zinc/71/15/45/798711545.db2.gz WGPWPIPUVQFYRN-PBHICJAKSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201238953 798724062 /nfs/dbraw/zinc/72/40/62/798724062.db2.gz FLAGZTXRZYOARF-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161878821 798956751 /nfs/dbraw/zinc/95/67/51/798956751.db2.gz BTZCVEJSINLRPR-UHFFFAOYSA-N 2 0 305.466 2.187 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110682804 798964508 /nfs/dbraw/zinc/96/45/08/798964508.db2.gz CYFNPQSRXFRNRI-VQHPVUNQSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162841139 799186375 /nfs/dbraw/zinc/18/63/75/799186375.db2.gz NISUKZGXJCZSLE-GOSISDBHSA-N 2 0 317.477 2.174 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164556273 799621812 /nfs/dbraw/zinc/62/18/12/799621812.db2.gz UXWXYZUSSUAVMQ-KRWDZBQOSA-N 2 0 319.493 2.171 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164582301 799627263 /nfs/dbraw/zinc/62/72/63/799627263.db2.gz GTMZQWLEXOWHSX-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576881 800084159 /nfs/dbraw/zinc/08/41/59/800084159.db2.gz KOXORTZDYGABDP-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203613820 800089948 /nfs/dbraw/zinc/08/99/48/800089948.db2.gz FREYWBVACOXZOC-HOTGVXAUSA-N 2 0 317.477 2.065 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204793841 800257969 /nfs/dbraw/zinc/25/79/69/800257969.db2.gz PHDFAJYUDGWVMW-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205291449 800338080 /nfs/dbraw/zinc/33/80/80/800338080.db2.gz UXAZCWFOUJDTSH-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206006771 800457741 /nfs/dbraw/zinc/45/77/41/800457741.db2.gz QQOKETIVMKFADN-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206549244 800552207 /nfs/dbraw/zinc/55/22/07/800552207.db2.gz XCADTMHFCZWPRF-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547532 800552722 /nfs/dbraw/zinc/55/27/22/800552722.db2.gz HIQGHBLNDNKYRJ-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001206603525 800562596 /nfs/dbraw/zinc/56/25/96/800562596.db2.gz OROQPDZYLRGOBH-UHFFFAOYSA-N 2 0 318.465 2.376 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206872466 800611364 /nfs/dbraw/zinc/61/13/64/800611364.db2.gz FZJQNEBGYYFMLJ-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435036 800750899 /nfs/dbraw/zinc/75/08/99/800750899.db2.gz DRWNPNFITZXXAR-ZWKOTPCHSA-N 2 0 308.466 2.060 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208279259 800944805 /nfs/dbraw/zinc/94/48/05/800944805.db2.gz LTCTYHPVRSIVEG-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208361537 800966987 /nfs/dbraw/zinc/96/69/87/800966987.db2.gz FUADRNQGGLNJHN-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208747900 801061495 /nfs/dbraw/zinc/06/14/95/801061495.db2.gz FRFVFNBDGCUYLI-QZTJIDSGSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750274 801062485 /nfs/dbraw/zinc/06/24/85/801062485.db2.gz ZTNFJRCXQZJDLT-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304876 801168076 /nfs/dbraw/zinc/16/80/76/801168076.db2.gz VGKQRJUSDKBPKT-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP COc1ccc(C#N)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266566 801362761 /nfs/dbraw/zinc/36/27/61/801362761.db2.gz NPHXBSRLRMBSFQ-UHFFFAOYSA-N 2 0 309.373 2.115 20 30 DEEDRP CC(=O)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C#N)c1 ZINC001210267992 801364219 /nfs/dbraw/zinc/36/42/19/801364219.db2.gz QAWPHFPCHHKFIE-UHFFFAOYSA-N 2 0 321.384 2.309 20 30 DEEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001230359953 801393152 /nfs/dbraw/zinc/39/31/52/801393152.db2.gz MHWBRMOMPRYBMB-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081501 801509519 /nfs/dbraw/zinc/50/95/19/801509519.db2.gz KIMRRMHKWFPRPW-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211256385 801537249 /nfs/dbraw/zinc/53/72/49/801537249.db2.gz FDWKTPCVNBZRDD-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214666025 801745692 /nfs/dbraw/zinc/74/56/92/801745692.db2.gz QVESREPFTAFGJT-YYIAUSFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056853 801795677 /nfs/dbraw/zinc/79/56/77/801795677.db2.gz LBSUOFIPMIIBOV-IXDOHACOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217932711 802120629 /nfs/dbraw/zinc/12/06/29/802120629.db2.gz BPECPLWDTDKEMH-BRWVUGGUSA-N 2 0 308.466 2.249 20 30 DEEDRP CCc1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc(CC)c1C#N ZINC001219114298 802284060 /nfs/dbraw/zinc/28/40/60/802284060.db2.gz GOKBZBFXYIXNJD-HNNXBMFYSA-N 2 0 316.449 2.468 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234644363 802439954 /nfs/dbraw/zinc/43/99/54/802439954.db2.gz TXYDXQDAODNQQZ-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224558690 802881750 /nfs/dbraw/zinc/88/17/50/802881750.db2.gz IUXDXXBREREIRG-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739802 802899457 /nfs/dbraw/zinc/89/94/57/802899457.db2.gz QSIJIFONAXALCR-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542723 802979542 /nfs/dbraw/zinc/97/95/42/802979542.db2.gz NNBFQZISSJZPKE-IYBDPMFKSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001330877488 1149321852 /nfs/dbraw/zinc/32/18/52/1149321852.db2.gz ZLZVWKJPINUCIG-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001420690952 1169868515 /nfs/dbraw/zinc/86/85/15/1169868515.db2.gz NJPCJDFELGJHNY-GJZGRUSLSA-N 2 0 315.889 2.345 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001328588971 1148813821 /nfs/dbraw/zinc/81/38/21/1148813821.db2.gz RLQXWGSIOQHDRM-IAGOWNOFSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001500466007 1058807222 /nfs/dbraw/zinc/80/72/22/1058807222.db2.gz PDABGOCZZRAZCZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501067988 1059254477 /nfs/dbraw/zinc/25/44/77/1059254477.db2.gz VUDZVFNXLULIOU-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569392 1059552868 /nfs/dbraw/zinc/55/28/68/1059552868.db2.gz XPYGTPZLDLYWHH-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001502401694 1060109770 /nfs/dbraw/zinc/10/97/70/1060109770.db2.gz QOBPDJFSAVCVCH-GOSISDBHSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001506491946 1062039455 /nfs/dbraw/zinc/03/94/55/1062039455.db2.gz YQFDEDJZVKGILK-AEFFLSMTSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001506625773 1062207603 /nfs/dbraw/zinc/20/76/03/1062207603.db2.gz FKXICPRVXDZCCI-LSDHHAIUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506677783 1062270310 /nfs/dbraw/zinc/27/03/10/1062270310.db2.gz GZBHSQYFRIYVCS-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001507106588 1062842545 /nfs/dbraw/zinc/84/25/45/1062842545.db2.gz MFVAQAPKOHNEJW-ZDUSSCGKSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480833875 1063424679 /nfs/dbraw/zinc/42/46/79/1063424679.db2.gz ZFXLMIHFLWAQFS-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001508029798 1063504942 /nfs/dbraw/zinc/50/49/42/1063504942.db2.gz FZLHDBAAUVWGAI-KRWDZBQOSA-N 2 0 315.461 2.116 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001508085455 1063544271 /nfs/dbraw/zinc/54/42/71/1063544271.db2.gz FQOBPUSRSDGQOW-RDJZCZTQSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001493827254 1063979081 /nfs/dbraw/zinc/97/90/81/1063979081.db2.gz LZRLMLQCSUBQDR-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001567445476 1064202163 /nfs/dbraw/zinc/20/21/63/1064202163.db2.gz ZZQPUMIOZISHRA-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001567749862 1064401460 /nfs/dbraw/zinc/40/14/60/1064401460.db2.gz SFFWWFRJFQYKED-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001567840802 1064455462 /nfs/dbraw/zinc/45/54/62/1064455462.db2.gz GCACWAMJLIPPKC-OAHLLOKOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914759 1064512154 /nfs/dbraw/zinc/51/21/54/1064512154.db2.gz GSCQAAWNTSNDPM-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001568118472 1064655864 /nfs/dbraw/zinc/65/58/64/1064655864.db2.gz UIFPARXPFXIIEV-UHFFFAOYSA-N 2 0 301.434 2.063 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001568132167 1064662675 /nfs/dbraw/zinc/66/26/75/1064662675.db2.gz NOYLASAPWSYHGU-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001568244415 1064725545 /nfs/dbraw/zinc/72/55/45/1064725545.db2.gz KWSSOSYOIQQTKZ-QGZVFWFLSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001495277177 1064800854 /nfs/dbraw/zinc/80/08/54/1064800854.db2.gz NYBIXHWUXIUOAU-SFHVURJKSA-N 2 0 309.498 2.415 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@H]1C ZINC001495317780 1064826292 /nfs/dbraw/zinc/82/62/92/1064826292.db2.gz BRYSWIZRTBFRKB-APWZRJJASA-N 2 0 319.493 2.006 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001495359626 1064859879 /nfs/dbraw/zinc/85/98/79/1064859879.db2.gz LKJNQMVXIJDBBV-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001568424570 1064861437 /nfs/dbraw/zinc/86/14/37/1064861437.db2.gz SOJUAPHWOQAWBL-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001568467126 1064890956 /nfs/dbraw/zinc/89/09/56/1064890956.db2.gz NTKHEVVWNMINLX-KRWDZBQOSA-N 2 0 309.498 2.413 20 30 DEEDRP C#CC[NH2+]CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001495422386 1064895517 /nfs/dbraw/zinc/89/55/17/1064895517.db2.gz RPYCPVKZRINKCJ-UHFFFAOYSA-N 2 0 324.428 2.108 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001496311547 1065400600 /nfs/dbraw/zinc/40/06/00/1065400600.db2.gz JSBNYNQETOWJKN-ZWKOTPCHSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001496492334 1065507350 /nfs/dbraw/zinc/50/73/50/1065507350.db2.gz SBJLFRMSZUVQQI-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001569603631 1065617912 /nfs/dbraw/zinc/61/79/12/1065617912.db2.gz CEEFOQZEBAZYAT-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001570039177 1065898628 /nfs/dbraw/zinc/89/86/28/1065898628.db2.gz HPWGQSMPFTUUPK-BZSNNMDCSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001570485311 1066091627 /nfs/dbraw/zinc/09/16/27/1066091627.db2.gz HIGOBHKGMIVTSE-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001498284003 1066614319 /nfs/dbraw/zinc/61/43/19/1066614319.db2.gz RMNYWHICCCYCFM-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498409606 1066687828 /nfs/dbraw/zinc/68/78/28/1066687828.db2.gz SCFDUEYNXVVMSJ-HNNXBMFYSA-N 2 0 303.450 2.374 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001498897382 1066945467 /nfs/dbraw/zinc/94/54/67/1066945467.db2.gz CXNDJTYSVIYFOM-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001499492841 1067237888 /nfs/dbraw/zinc/23/78/88/1067237888.db2.gz LONDZBYGPRPZQY-ALOPSCKCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499614819 1067280491 /nfs/dbraw/zinc/28/04/91/1067280491.db2.gz TXJKBKPBRIUKBT-SFHVURJKSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267026158 1078511300 /nfs/dbraw/zinc/51/13/00/1078511300.db2.gz HYKYZFVYBUIACB-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267045152 1078524771 /nfs/dbraw/zinc/52/47/71/1078524771.db2.gz NNBOKRXIMQNDRE-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC001580035809 1067477683 /nfs/dbraw/zinc/47/76/83/1067477683.db2.gz HCRXPRDBIMBDEX-QAPCUYQASA-N 2 0 316.424 2.008 20 30 DEEDRP N#Cc1ccccc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC001580080532 1067492626 /nfs/dbraw/zinc/49/26/26/1067492626.db2.gz VZYUSQPJJOUOHE-UHFFFAOYSA-N 2 0 312.461 2.460 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001570534994 1067991751 /nfs/dbraw/zinc/99/17/51/1067991751.db2.gz UQDJFDRGOSGCRC-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001571117992 1068183746 /nfs/dbraw/zinc/18/37/46/1068183746.db2.gz NPYDJSPXQALHFV-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001571335680 1068230573 /nfs/dbraw/zinc/23/05/73/1068230573.db2.gz RZZFAXJMTWLAQD-QGZVFWFLSA-N 2 0 309.498 2.462 20 30 DEEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001571365465 1068251925 /nfs/dbraw/zinc/25/19/25/1068251925.db2.gz VZBIYBQFYQEJPH-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001571626630 1068448325 /nfs/dbraw/zinc/44/83/25/1068448325.db2.gz CWNMKYDPNGWQCG-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001571649208 1068458454 /nfs/dbraw/zinc/45/84/54/1068458454.db2.gz WUTRQPJNXVLKAR-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267297644 1078744064 /nfs/dbraw/zinc/74/40/64/1078744064.db2.gz DYWMDDMLYAIDIK-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP 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 1078776082 /nfs/dbraw/zinc/77/60/82/1078776082.db2.gz OKDWFQUVHNSJFY-YYIAUSFCSA-N 2 0 307.482 2.118 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CCCn1ccnc1C ZINC001483688751 1078797818 /nfs/dbraw/zinc/79/78/18/1078797818.db2.gz QHDGKVGCMFFGPF-INIZCTEOSA-N 2 0 304.438 2.128 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001272440339 1078877108 /nfs/dbraw/zinc/87/71/08/1078877108.db2.gz LDEJCSCCUWBAIC-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC1(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]C1 ZINC001574880887 1069285316 /nfs/dbraw/zinc/28/53/16/1069285316.db2.gz UCVPENNBURALIL-UHFFFAOYSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267601110 1079135190 /nfs/dbraw/zinc/13/51/90/1079135190.db2.gz KNAJFCCQJWFKKQ-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001483836984 1079151121 /nfs/dbraw/zinc/15/11/21/1079151121.db2.gz SKYXRFUERPDQOS-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484011942 1079241332 /nfs/dbraw/zinc/24/13/32/1079241332.db2.gz NPDSHGQEXXMFAT-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001481194532 1079323068 /nfs/dbraw/zinc/32/30/68/1079323068.db2.gz KTZYNOHPRRWGOJ-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001566129401 1075233992 /nfs/dbraw/zinc/23/39/92/1075233992.db2.gz FRAYNEKLHSGADI-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566843913 1075359205 /nfs/dbraw/zinc/35/92/05/1075359205.db2.gz QOTLFOFZHQMPJV-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH+]1CCC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566871600 1075369106 /nfs/dbraw/zinc/36/91/06/1075369106.db2.gz GRRBBNJUVODAHS-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001566949942 1075396395 /nfs/dbraw/zinc/39/63/95/1075396395.db2.gz FZLKEOKGNKTICR-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267962468 1079642649 /nfs/dbraw/zinc/64/26/49/1079642649.db2.gz DMZXJXLBSMCBEP-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484568356 1079665494 /nfs/dbraw/zinc/66/54/94/1079665494.db2.gz JORGIFFLOWOMSP-KZNAEPCWSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)C)CCC1 ZINC001484639284 1079706539 /nfs/dbraw/zinc/70/65/39/1079706539.db2.gz QMCDGMABOGSSFX-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001484771965 1079787710 /nfs/dbraw/zinc/78/77/10/1079787710.db2.gz JDFKJSUOKKWKDQ-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001484820312 1079813566 /nfs/dbraw/zinc/81/35/66/1079813566.db2.gz NQTVAQCTTXROSK-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC001268038173 1079875989 /nfs/dbraw/zinc/87/59/89/1079875989.db2.gz JZAPUMHUXGPQNP-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCC1 ZINC001268042041 1079911962 /nfs/dbraw/zinc/91/19/62/1079911962.db2.gz JZNPUSVYBFPJFO-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001485011455 1079916728 /nfs/dbraw/zinc/91/67/28/1079916728.db2.gz MVCDYOHWPWTZNB-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001485081986 1079970340 /nfs/dbraw/zinc/97/03/40/1079970340.db2.gz AAMBCAGDBZNPFK-GOSISDBHSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485162475 1080032531 /nfs/dbraw/zinc/03/25/31/1080032531.db2.gz IAJWWZPXTWVJKI-GJZGRUSLSA-N 2 0 307.482 2.146 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001656293542 1080076126 /nfs/dbraw/zinc/07/61/26/1080076126.db2.gz NWWHUDMUENYTLW-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001656346413 1080080741 /nfs/dbraw/zinc/08/07/41/1080080741.db2.gz WTGMIWCLQPEQMO-GVDBMIGSSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001656386083 1080083217 /nfs/dbraw/zinc/08/32/17/1080083217.db2.gz JHJUTMGZVDQBSO-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001485241724 1080090777 /nfs/dbraw/zinc/09/07/77/1080090777.db2.gz OGSPTSAOPJAORW-UHFFFAOYSA-N 2 0 315.889 2.440 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268161813 1080139242 /nfs/dbraw/zinc/13/92/42/1080139242.db2.gz QVPHEEBYYKJGIS-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001268193746 1080180611 /nfs/dbraw/zinc/18/06/11/1080180611.db2.gz WYIYVGPNEFRMLW-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001485440343 1080208201 /nfs/dbraw/zinc/20/82/01/1080208201.db2.gz QCNVFRUWIXTCHO-SFHVURJKSA-N 2 0 321.509 2.203 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001268280949 1080259899 /nfs/dbraw/zinc/25/98/99/1080259899.db2.gz OSZIXMRIACSOLE-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001485518969 1080276966 /nfs/dbraw/zinc/27/69/66/1080276966.db2.gz GFZSUSCQLPRLFT-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001485539053 1080286400 /nfs/dbraw/zinc/28/64/00/1080286400.db2.gz GUIRLAXKPIJRHE-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001481690521 1080304225 /nfs/dbraw/zinc/30/42/25/1080304225.db2.gz JGBWLNAZPTXYCC-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001661127452 1080445026 /nfs/dbraw/zinc/44/50/26/1080445026.db2.gz NSFBTZLJMWYFID-SJLPKXTDSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001661661722 1080504864 /nfs/dbraw/zinc/50/48/64/1080504864.db2.gz ZQQJMELAZILVLX-YESZJQIVSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001481844362 1080543861 /nfs/dbraw/zinc/54/38/61/1080543861.db2.gz YEAYWNUNEJVSJS-LSDHHAIUSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001661929670 1080545805 /nfs/dbraw/zinc/54/58/05/1080545805.db2.gz ISKYVHXPYPLVFW-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040517 1080554229 /nfs/dbraw/zinc/55/42/29/1080554229.db2.gz IAJQPALDSCWUQQ-IXDOHACOSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001662839954 1080666151 /nfs/dbraw/zinc/66/61/51/1080666151.db2.gz ZGFWZIBABGROTR-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482072326 1080774737 /nfs/dbraw/zinc/77/47/37/1080774737.db2.gz XLEZAMJLQDFQQX-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001482158859 1080867682 /nfs/dbraw/zinc/86/76/82/1080867682.db2.gz IDUAVRYMWFNICA-FUHWJXTLSA-N 2 0 315.461 2.045 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC001664583203 1080929057 /nfs/dbraw/zinc/92/90/57/1080929057.db2.gz IWWXSQMNSAPHOX-ROUUACIJSA-N 2 0 315.461 2.043 20 30 DEEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268747817 1080966109 /nfs/dbraw/zinc/96/61/09/1080966109.db2.gz UKQRYXPFYQHZAA-WMLDXEAASA-N 2 0 313.461 2.212 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001268746503 1080966802 /nfs/dbraw/zinc/96/68/02/1080966802.db2.gz KOYYNKNTKQVDLY-INIZCTEOSA-N 2 0 317.477 2.417 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001665731377 1081072325 /nfs/dbraw/zinc/07/23/25/1081072325.db2.gz LFZWVEXMUFAANN-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001665952285 1081101412 /nfs/dbraw/zinc/10/14/12/1081101412.db2.gz VIDBKCFURASYFF-CVEARBPZSA-N 2 0 305.466 2.208 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001666547046 1081161309 /nfs/dbraw/zinc/16/13/09/1081161309.db2.gz NMFMHRCYICVMLU-IAGOWNOFSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234502 1081176947 /nfs/dbraw/zinc/17/69/47/1081176947.db2.gz AMUYLPWXONYMEJ-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001667029063 1081203804 /nfs/dbraw/zinc/20/38/04/1081203804.db2.gz PRHRFDYVDJFFQQ-AEFFLSMTSA-N 2 0 315.461 2.139 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297690 1081223587 /nfs/dbraw/zinc/22/35/87/1081223587.db2.gz PJJCQMWKCNKLAP-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@@H](C)CCC=C)CC1 ZINC001667669619 1081272663 /nfs/dbraw/zinc/27/26/63/1081272663.db2.gz XIHVZQAGRQQYJX-KRWDZBQOSA-N 2 0 319.493 2.077 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001269513140 1081272736 /nfs/dbraw/zinc/27/27/36/1081272736.db2.gz PTJXUNZWWNNFJH-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001269553275 1081288008 /nfs/dbraw/zinc/28/80/08/1081288008.db2.gz QAXDCGLROHXNMY-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001269677436 1081329878 /nfs/dbraw/zinc/32/98/78/1081329878.db2.gz RWQXNPDVABGUOU-LPHOPBHVSA-N 2 0 319.493 2.313 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269729832 1081348130 /nfs/dbraw/zinc/34/81/30/1081348130.db2.gz HTYKNOFWHUUCCF-FUHWJXTLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001669571904 1081458289 /nfs/dbraw/zinc/45/82/89/1081458289.db2.gz GBUJTRGFRNDOMR-ZDUSSCGKSA-N 2 0 309.479 2.484 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001672348585 1081587371 /nfs/dbraw/zinc/58/73/71/1081587371.db2.gz SQRXKQLGMKMULX-VBUUOAMHSA-N 2 0 319.493 2.406 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001673385975 1081763043 /nfs/dbraw/zinc/76/30/43/1081763043.db2.gz HSLSCXKARRDRIL-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001482438722 1081829936 /nfs/dbraw/zinc/82/99/36/1081829936.db2.gz YUYKGMLNSJSESE-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001270987007 1081866650 /nfs/dbraw/zinc/86/66/50/1081866650.db2.gz NMQINGLAGWZMFT-RDJZCZTQSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499221 1081883781 /nfs/dbraw/zinc/88/37/81/1081883781.db2.gz FOICPXIKRUGCHC-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC/C=C/CC ZINC001266468385 1082056079 /nfs/dbraw/zinc/05/60/79/1082056079.db2.gz PDTSCSMJSZLBBO-ZBKUBXTQSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CC[N@@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001493426587 1082079065 /nfs/dbraw/zinc/07/90/65/1082079065.db2.gz LBFSDAARIORHBG-UHFFFAOYSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001670469323 1082145519 /nfs/dbraw/zinc/14/55/19/1082145519.db2.gz HJLZCKYCARHANO-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)C ZINC001271923389 1082194729 /nfs/dbraw/zinc/19/47/29/1082194729.db2.gz UTRKMHUHTGCBAS-ROUUACIJSA-N 2 0 315.461 2.043 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266893556 1082435741 /nfs/dbraw/zinc/43/57/41/1082435741.db2.gz CMJAZVSCHWTKEQ-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543913 1083472472 /nfs/dbraw/zinc/47/24/72/1083472472.db2.gz CNSYTGODLAUSIX-ZHALLVOQSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107617249 1083523633 /nfs/dbraw/zinc/52/36/33/1083523633.db2.gz AUXXASIMLDEZAQ-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276632320 1083525671 /nfs/dbraw/zinc/52/56/71/1083525671.db2.gz DGRQQECAMYCAEA-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276888130 1083666341 /nfs/dbraw/zinc/66/63/41/1083666341.db2.gz USVHZAIFKFQGCG-MAUKXSAKSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001670903732 1084042270 /nfs/dbraw/zinc/04/22/70/1084042270.db2.gz QNXQRPSJCPZFOL-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001281531277 1084048357 /nfs/dbraw/zinc/04/83/57/1084048357.db2.gz YFXVTXNZTCPINN-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203460875 1084148580 /nfs/dbraw/zinc/14/85/80/1084148580.db2.gz CNXHOQBGYURUTO-IRXDYDNUSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001277850962 1084174238 /nfs/dbraw/zinc/17/42/38/1084174238.db2.gz CGHLGOHXTNHONV-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491281838 1084204026 /nfs/dbraw/zinc/20/40/26/1084204026.db2.gz LQKPKNNTKAFTEL-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001235007880 1084272029 /nfs/dbraw/zinc/27/20/29/1084272029.db2.gz RWGWPIGMVLYMQX-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001486166799 1085101887 /nfs/dbraw/zinc/10/18/87/1085101887.db2.gz NLQCKFTUVRDLJJ-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000964225675 1085176606 /nfs/dbraw/zinc/17/66/06/1085176606.db2.gz LPNCESCSKNJVTM-UHFFFAOYSA-N 2 0 310.401 2.151 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]C(C)C)CC2)CC1 ZINC000964437894 1085228609 /nfs/dbraw/zinc/22/86/09/1085228609.db2.gz PAJXBBAQHQVGJU-UHFFFAOYSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001486525644 1085408213 /nfs/dbraw/zinc/40/82/13/1085408213.db2.gz SDJXTHYQQHZFIP-INIZCTEOSA-N 2 0 319.424 2.059 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000965424947 1085603689 /nfs/dbraw/zinc/60/36/89/1085603689.db2.gz PECOMWHWKYBEIY-UOAXPGHYSA-N 2 0 317.477 2.206 20 30 DEEDRP C=CCNC(=O)[C@H]1CC12CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001273039706 1086065117 /nfs/dbraw/zinc/06/51/17/1086065117.db2.gz SYPFPKBDSIEGOR-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CN1CC[C@]2(CCC[N@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001273144608 1086773708 /nfs/dbraw/zinc/77/37/08/1086773708.db2.gz RWPHOOPULYHFNX-LJQANCHMSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310979 1088808560 /nfs/dbraw/zinc/80/85/60/1088808560.db2.gz LWEGQIWLSOXOAP-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095903792 1089088092 /nfs/dbraw/zinc/08/80/92/1089088092.db2.gz LYNCBRPKEBTZNB-BDXSIMOUSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081133982 1089361482 /nfs/dbraw/zinc/36/14/82/1089361482.db2.gz JERANIXWPVSSNP-RCCFBDPRSA-N 2 0 315.461 2.097 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544028 1090003837 /nfs/dbraw/zinc/00/38/37/1090003837.db2.gz DZRAGBYKEXDYHC-BPLDGKMQSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522392 1090317416 /nfs/dbraw/zinc/31/74/16/1090317416.db2.gz ZICGKCQIPDTHFQ-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084598710 1090343355 /nfs/dbraw/zinc/34/33/55/1090343355.db2.gz BGHOTJDGQJEIAB-KZNAEPCWSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853360 1090477314 /nfs/dbraw/zinc/47/73/14/1090477314.db2.gz KJZLZUOPLXKEKD-KZNAEPCWSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049456 1090616961 /nfs/dbraw/zinc/61/69/61/1090616961.db2.gz BIJBMXATMYDQKN-KSZLIROESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010133 1090620583 /nfs/dbraw/zinc/62/05/83/1090620583.db2.gz NLHNSROELYEBDZ-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085101047 1090645621 /nfs/dbraw/zinc/64/56/21/1090645621.db2.gz QQDYSNQPSAANPN-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001410499581 1091017100 /nfs/dbraw/zinc/01/71/00/1091017100.db2.gz FUVHPTFCOILFFE-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001274459848 1091254615 /nfs/dbraw/zinc/25/46/15/1091254615.db2.gz FQLNTNUQSQSMEM-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001411213356 1091428246 /nfs/dbraw/zinc/42/82/46/1091428246.db2.gz FLRLFSXLKSLCDZ-KGLIPLIRSA-N 2 0 317.905 2.446 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@]2(CCCN(CC(=O)N(C)C)C2)C1 ZINC001274961864 1091490002 /nfs/dbraw/zinc/49/00/02/1091490002.db2.gz CMVNWGUKIZNLOG-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP CCCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001275131290 1091574982 /nfs/dbraw/zinc/57/49/82/1091574982.db2.gz OJWLGXLJXDUBPC-IAGOWNOFSA-N 2 0 321.509 2.489 20 30 DEEDRP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001275309918 1091663722 /nfs/dbraw/zinc/66/37/22/1091663722.db2.gz QTWMZAKPHXCZAV-YOEHRIQHSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001671084528 1091762540 /nfs/dbraw/zinc/76/25/40/1091762540.db2.gz CELXLBDVXOZWBZ-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001446017323 1092073280 /nfs/dbraw/zinc/07/32/80/1092073280.db2.gz SJUXDCKRXJKHJB-LSDHHAIUSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(C)C[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001490216936 1093267637 /nfs/dbraw/zinc/26/76/37/1093267637.db2.gz YMQSEVCMKJQETH-UHFFFAOYSA-N 2 0 300.406 2.271 20 30 DEEDRP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001490308244 1093298929 /nfs/dbraw/zinc/29/89/29/1093298929.db2.gz UMYIHMPAQYAJEC-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001490793931 1093532260 /nfs/dbraw/zinc/53/22/60/1093532260.db2.gz RECXQZXAYMZGGE-CALCHBBNSA-N 2 0 317.477 2.256 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001202527182 1093628108 /nfs/dbraw/zinc/62/81/08/1093628108.db2.gz ZVSTXPWGCJIZNE-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCc1cccc(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)c1O ZINC001236924327 1138457925 /nfs/dbraw/zinc/45/79/25/1138457925.db2.gz QJVNGIREBYEPDO-SFHVURJKSA-N 2 0 317.477 2.236 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001295136045 1139339204 /nfs/dbraw/zinc/33/92/04/1139339204.db2.gz BTWNDGQUCUDAGC-UHFFFAOYSA-N 2 0 301.434 2.381 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001318439950 1140329822 /nfs/dbraw/zinc/32/98/22/1140329822.db2.gz PVENQTXKEYPQIS-IRXDYDNUSA-N 2 0 322.497 2.199 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001318528413 1140360372 /nfs/dbraw/zinc/36/03/72/1140360372.db2.gz HASPSFCWNZGCKK-WBVHZDCISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001318608480 1140371527 /nfs/dbraw/zinc/37/15/27/1140371527.db2.gz VWJRSRPEMHJPQO-KRWDZBQOSA-N 2 0 303.450 2.422 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001280889345 1140536510 /nfs/dbraw/zinc/53/65/10/1140536510.db2.gz NWGUNBCDOFBIHJ-QZTJIDSGSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001319501850 1140600596 /nfs/dbraw/zinc/60/05/96/1140600596.db2.gz KHWUOBCIGKSUFH-HNNXBMFYSA-N 2 0 303.450 2.027 20 30 DEEDRP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001319792422 1140722211 /nfs/dbraw/zinc/72/22/11/1140722211.db2.gz YHUKOVHFWGRPLY-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP CC#CC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001319878647 1140799223 /nfs/dbraw/zinc/79/92/23/1140799223.db2.gz ALPHOGLCKQRAGE-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001320187767 1140836848 /nfs/dbraw/zinc/83/68/48/1140836848.db2.gz WWOXMNMSFRFSRC-IAGOWNOFSA-N 2 0 307.482 2.313 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1CO ZINC001246001020 1140844368 /nfs/dbraw/zinc/84/43/68/1140844368.db2.gz GDTDTSCDMXCKJP-KZNAEPCWSA-N 2 0 314.514 2.438 20 30 DEEDRP C=C[C@@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001320299862 1140846068 /nfs/dbraw/zinc/84/60/68/1140846068.db2.gz VGNUEBVXGUMYOJ-KRWDZBQOSA-N 2 0 304.434 2.452 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320575139 1140881282 /nfs/dbraw/zinc/88/12/82/1140881282.db2.gz NXEUJFICNYUFRP-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246306321 1140882842 /nfs/dbraw/zinc/88/28/42/1140882842.db2.gz TUFOFMZVZZSQKZ-CRAIPNDOSA-N 2 0 315.417 2.101 20 30 DEEDRP C[C@@H]1CC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]1 ZINC001246364913 1140888548 /nfs/dbraw/zinc/88/85/48/1140888548.db2.gz XBPTZJMVFZDBNQ-BEFAXECRSA-N 2 0 312.461 2.253 20 30 DEEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CC[NH2+]CC2)CCN1 ZINC001246402404 1140893995 /nfs/dbraw/zinc/89/39/95/1140893995.db2.gz YDVYSEJEJMWQOQ-RVKKMQEKSA-N 2 0 316.424 2.100 20 30 DEEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC001246550206 1140955731 /nfs/dbraw/zinc/95/57/31/1140955731.db2.gz MGRMNWHIRBEMGG-SOLBZPMBSA-N 2 0 321.465 2.237 20 30 DEEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709181 1141041064 /nfs/dbraw/zinc/04/10/64/1141041064.db2.gz SIQNPVWSSXOJRL-JFIYKMOQSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001278465705 1141060094 /nfs/dbraw/zinc/06/00/94/1141060094.db2.gz BQVHDXAJBDOLRW-JENIJYKNSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322347742 1141537933 /nfs/dbraw/zinc/53/79/33/1141537933.db2.gz VJISFAPZBRPXIR-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001323162505 1141819717 /nfs/dbraw/zinc/81/97/17/1141819717.db2.gz QUQOMOCKKJOIPR-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001324376355 1142065472 /nfs/dbraw/zinc/06/54/72/1142065472.db2.gz FCEMHSIXCDEXFE-AEFFLSMTSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278571268 1142210995 /nfs/dbraw/zinc/21/09/95/1142210995.db2.gz DISGIIOWCAXXPW-FUHWJXTLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278573288 1142218514 /nfs/dbraw/zinc/21/85/14/1142218514.db2.gz WYWWSJVTMQMXJH-GJZGRUSLSA-N 2 0 312.417 2.317 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278667877 1142724711 /nfs/dbraw/zinc/72/47/11/1142724711.db2.gz JRWUGROFCBADTP-SFHVURJKSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC001338447278 1142856249 /nfs/dbraw/zinc/85/62/49/1142856249.db2.gz AGKNQLKMBOJSGA-IKGGRYGDSA-N 2 0 322.497 2.112 20 30 DEEDRP C[C@@]1(C#N)CC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254041636 1143030329 /nfs/dbraw/zinc/03/03/29/1143030329.db2.gz MTBCENDCIDWPKI-SFHVURJKSA-N 2 0 313.445 2.249 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001341701322 1143671563 /nfs/dbraw/zinc/67/15/63/1143671563.db2.gz OIROUBYLPGJXJZ-MSOLQXFVSA-N 2 0 315.461 2.451 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001261703381 1144269509 /nfs/dbraw/zinc/26/95/09/1144269509.db2.gz AYGZVFCSZXLPOA-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001263870497 1144417844 /nfs/dbraw/zinc/41/78/44/1144417844.db2.gz ZTSWCPHESVXURS-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265234919 1144674153 /nfs/dbraw/zinc/67/41/53/1144674153.db2.gz DWBRLLALOVCRSH-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001265390809 1144701466 /nfs/dbraw/zinc/70/14/66/1144701466.db2.gz OBBONSHDBHECMF-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001265396922 1144702187 /nfs/dbraw/zinc/70/21/87/1144702187.db2.gz NUWXQXGCNBUXMH-HNNXBMFYSA-N 2 0 304.438 2.089 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266177571 1144811816 /nfs/dbraw/zinc/81/18/16/1144811816.db2.gz HPDXHLPWLINEFJ-DOTOQJQBSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+]Cc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)c(F)c1 ZINC001279716213 1144827616 /nfs/dbraw/zinc/82/76/16/1144827616.db2.gz PZDPTJYUPOUCKV-UHFFFAOYSA-N 2 0 319.424 2.059 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001280053344 1144831393 /nfs/dbraw/zinc/83/13/93/1144831393.db2.gz PAWGTLBPVFKTLZ-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001282677791 1145124117 /nfs/dbraw/zinc/12/41/17/1145124117.db2.gz HOFWPDVZMDQGQP-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001283101135 1145266596 /nfs/dbraw/zinc/26/65/96/1145266596.db2.gz DKLMUPRFWOTUMA-YVSFHVDLSA-N 2 0 307.482 2.167 20 30 DEEDRP CC[NH+]1CCC(C[NH+]2CCN(c3ccsc3C#N)CC2)CC1 ZINC001364731335 1145516922 /nfs/dbraw/zinc/51/69/22/1145516922.db2.gz BBJHDHJDJIFESU-UHFFFAOYSA-N 2 0 318.490 2.474 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365924958 1146912574 /nfs/dbraw/zinc/91/25/74/1146912574.db2.gz MZRVYCBSMRXDQE-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491874229 1146943598 /nfs/dbraw/zinc/94/35/98/1146943598.db2.gz MKVKVWQICXDYJR-KBPBESRZSA-N 2 0 313.873 2.240 20 30 DEEDRP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001316824402 1147607742 /nfs/dbraw/zinc/60/77/42/1147607742.db2.gz HRSHEZJQCGXZIP-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001317018039 1147648849 /nfs/dbraw/zinc/64/88/49/1147648849.db2.gz XTGODFKSGGIPQO-SJORKVTESA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001317206977 1147676996 /nfs/dbraw/zinc/67/69/96/1147676996.db2.gz HTAGOVRDCGDNIU-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001317294731 1147686760 /nfs/dbraw/zinc/68/67/60/1147686760.db2.gz PWZWLNCRNKCTDL-DLBZAZTESA-N 2 0 321.509 2.108 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001317685178 1147743922 /nfs/dbraw/zinc/74/39/22/1147743922.db2.gz FYADOOGLCHEAIP-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317786493 1147752543 /nfs/dbraw/zinc/75/25/43/1147752543.db2.gz AJXDZVDCOPZMND-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317791847 1147752642 /nfs/dbraw/zinc/75/26/42/1147752642.db2.gz DJUSFISFLVVUAS-MRXNPFEDSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317847424 1147757499 /nfs/dbraw/zinc/75/74/99/1147757499.db2.gz BXSDACVJXSDVBB-ULQDDVLXSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001317870641 1147759199 /nfs/dbraw/zinc/75/91/99/1147759199.db2.gz VNLIUTZTPBDKLU-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001318273203 1147806116 /nfs/dbraw/zinc/80/61/16/1147806116.db2.gz OTZPLDUPJQXGDS-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001324739180 1147838050 /nfs/dbraw/zinc/83/80/50/1147838050.db2.gz WXPVTUTVCQSEEN-QGZVFWFLSA-N 2 0 304.438 2.137 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001324749881 1147839542 /nfs/dbraw/zinc/83/95/42/1147839542.db2.gz DOLHUMPWOBPQGO-GOSISDBHSA-N 2 0 318.465 2.331 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001325467314 1147920018 /nfs/dbraw/zinc/92/00/18/1147920018.db2.gz RPGICWBKESFZJS-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP Cc1cc(C#N)ccc1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000614401977 362372167 /nfs/dbraw/zinc/37/21/67/362372167.db2.gz URIQSWPVCRGMAZ-LJQANCHMSA-N 2 0 312.461 2.079 20 30 DEEDRP C[NH+](C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000080566577 355371012 /nfs/dbraw/zinc/37/10/12/355371012.db2.gz ZGOHCQQWOQLBDP-UHFFFAOYSA-N 2 0 302.344 2.061 20 30 DEEDRP N#Cc1ccc(CC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000595893103 358574080 /nfs/dbraw/zinc/57/40/80/358574080.db2.gz PFEIHUYLBVSICR-RTBURBONSA-N 2 0 313.445 2.319 20 30 DEEDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C)c(C#N)c3)C2)CC1 ZINC000599294685 359453598 /nfs/dbraw/zinc/45/35/98/359453598.db2.gz GLHQIEITPPXZSM-IBGZPJMESA-N 2 0 312.461 2.079 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237700572 202331472 /nfs/dbraw/zinc/33/14/72/202331472.db2.gz JCVBSEBHOAEOMS-PBHICJAKSA-N 2 0 301.434 2.089 20 30 DEEDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000181857024 296125166 /nfs/dbraw/zinc/12/51/66/296125166.db2.gz ZOMBBSZIWHLSCC-OAHLLOKOSA-N 2 0 300.450 2.235 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000159251822 197339867 /nfs/dbraw/zinc/33/98/67/197339867.db2.gz XQXCTBTXZBSGCW-KRWDZBQOSA-N 2 0 322.497 2.009 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000349078974 146347886 /nfs/dbraw/zinc/34/78/86/146347886.db2.gz ROGFGIJDAYQAKB-MRXNPFEDSA-N 2 0 320.506 2.468 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[NH3+])C2)c(F)c1 ZINC000566090913 292204196 /nfs/dbraw/zinc/20/41/96/292204196.db2.gz IVUAPPSKFXEBTO-CWRNSKLLSA-N 2 0 302.397 2.136 20 30 DEEDRP CN(C)C(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000134548935 401906126 /nfs/dbraw/zinc/90/61/26/401906126.db2.gz MYSJQDHVHILSFD-RISCZKNCSA-N 2 0 312.820 2.348 20 30 DEEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000104153386 402199706 /nfs/dbraw/zinc/19/97/06/402199706.db2.gz OQYYHNHTNPIHDR-UHFFFAOYSA-N 2 0 308.426 2.162 20 30 DEEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160670802 402356352 /nfs/dbraw/zinc/35/63/52/402356352.db2.gz KCNWTYRVEAFTNV-JTQLQIEISA-N 2 0 316.327 2.264 20 30 DEEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3C)C2)CC1 ZINC000186223799 402412496 /nfs/dbraw/zinc/41/24/96/402412496.db2.gz ZOQQRCZMRGQZOL-LJQANCHMSA-N 2 0 312.461 2.079 20 30 DEEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000186598231 402446309 /nfs/dbraw/zinc/44/63/09/402446309.db2.gz XHPGOUQMIVBENH-HOTGVXAUSA-N 2 0 300.450 2.235 20 30 DEEDRP C[NH+]1CCN(c2ncccc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174310657 402736203 /nfs/dbraw/zinc/73/62/03/402736203.db2.gz GASWQJWSTSEABV-UHFFFAOYSA-N 2 0 315.465 2.253 20 30 DEEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N(C)C2CC2)cc1 ZINC000273338755 402995647 /nfs/dbraw/zinc/99/56/47/402995647.db2.gz MARTYXJJOYZFAH-UHFFFAOYSA-N 2 0 318.465 2.316 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280489979 403005215 /nfs/dbraw/zinc/00/52/15/403005215.db2.gz BKZQHPWUEARQQL-ULQDDVLXSA-N 2 0 300.450 2.321 20 30 DEEDRP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000293901314 403594103 /nfs/dbraw/zinc/59/41/03/403594103.db2.gz FHFKSPCQPDGDSR-UHFFFAOYSA-N 2 0 315.461 2.213 20 30 DEEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289351417 403922707 /nfs/dbraw/zinc/92/27/07/403922707.db2.gz GFEGZSNATUWUPY-MRXNPFEDSA-N 2 0 302.466 2.435 20 30 DEEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289360621 403926475 /nfs/dbraw/zinc/92/64/75/403926475.db2.gz HGCWSBDCBBUINB-INIZCTEOSA-N 2 0 302.466 2.435 20 30 DEEDRP C[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC000329094344 404227163 /nfs/dbraw/zinc/22/71/63/404227163.db2.gz AXPDMYFEMUJPHD-KGLIPLIRSA-N 2 0 322.453 2.011 20 30 DEEDRP C=CCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018833 404972480 /nfs/dbraw/zinc/97/24/80/404972480.db2.gz KMCUNQXDDZLRCC-UHFFFAOYSA-N 2 0 315.461 2.452 20 30 DEEDRP C=CCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021472 404974026 /nfs/dbraw/zinc/97/40/26/404974026.db2.gz QQZIMZMOMVXKDK-UHFFFAOYSA-N 2 0 301.434 2.062 20 30 DEEDRP COCC1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC[NH2+]CC1 ZINC000423407199 405793453 /nfs/dbraw/zinc/79/34/53/405793453.db2.gz LWWHFJKWXPLFHL-ZDUSSCGKSA-N 2 0 305.397 2.364 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)N1 ZINC000262676293 225281629 /nfs/dbraw/zinc/28/16/29/225281629.db2.gz UAIUIAVTSIDESI-BFYDXBDKSA-N 2 0 300.450 2.224 20 30 DEEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOCCC#N)CC2)C[C@@H](C)O1 ZINC000339012880 226177101 /nfs/dbraw/zinc/17/71/01/226177101.db2.gz IVYLAZQPGIPWDQ-IAGOWNOFSA-N 2 0 323.481 2.128 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001328260212 1148756720 /nfs/dbraw/zinc/75/67/20/1148756720.db2.gz RUKIPJARYYJYBU-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(OCC#N)cc1 ZINC000834849666 649854210 /nfs/dbraw/zinc/85/42/10/649854210.db2.gz DUNFDNLRIKZNHI-WBVHZDCISA-N 2 0 317.433 2.086 20 30 DEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000651816080 425148588 /nfs/dbraw/zinc/14/85/88/425148588.db2.gz ATTOKJMOIISCGZ-SJORKVTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[C@]1(C(=O)N2CC[NH+](C3CCCCC3)CC2)CCC[NH2+]1 ZINC000662786332 425735894 /nfs/dbraw/zinc/73/58/94/425735894.db2.gz RWFMTOSRQLKQPM-GOSISDBHSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCC[NH2+]1 ZINC000662662814 425706469 /nfs/dbraw/zinc/70/64/69/425706469.db2.gz WUBSILIREDMYDV-CJNGLKHVSA-N 2 0 307.463 2.165 20 30 DEEDRP C=CC[C@]1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662702847 425717282 /nfs/dbraw/zinc/71/72/82/425717282.db2.gz CFVHIYOYDRHLEC-GOSISDBHSA-N 2 0 301.434 2.428 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458312999 276862264 /nfs/dbraw/zinc/86/22/64/276862264.db2.gz BXSXCYPKLZKEHB-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)N1 ZINC000262642871 333867286 /nfs/dbraw/zinc/86/72/86/333867286.db2.gz IEUNGVXYQBDEDV-HNNXBMFYSA-N 2 0 300.450 2.356 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070414 782148417 /nfs/dbraw/zinc/14/84/17/782148417.db2.gz CMJNJFCUSAYEOQ-ZBFHGGJFSA-N 2 0 319.449 2.500 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000263170694 533988419 /nfs/dbraw/zinc/98/84/19/533988419.db2.gz RJNXUDDZIIDEIU-UHFFFAOYSA-N 2 0 308.813 2.337 20 30 DEEDRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000264100085 533989206 /nfs/dbraw/zinc/98/92/06/533989206.db2.gz NVOSUSLDQKWYDR-ZDUSSCGKSA-N 2 0 320.437 2.162 20 30 DEEDRP C[C@H]1C[NH+]=C(NCC2CC[NH+](Cc3ccccc3Cl)CC2)N1 ZINC000262477797 533990270 /nfs/dbraw/zinc/99/02/70/533990270.db2.gz CKQNUEGARDAFGY-ZDUSSCGKSA-N 2 0 320.868 2.489 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001378863516 1152471891 /nfs/dbraw/zinc/47/18/91/1152471891.db2.gz XMLKPRBISSIZHQ-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC1 ZINC000263160225 534834057 /nfs/dbraw/zinc/83/40/57/534834057.db2.gz QMZPXMZXTOLAEZ-KRWDZBQOSA-N 2 0 300.450 2.309 20 30 DEEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC1 ZINC000264085781 526369836 /nfs/dbraw/zinc/36/98/36/526369836.db2.gz VPGBIDQLZPYSSV-ZDUSSCGKSA-N 2 0 306.479 2.288 20 30 DEEDRP CC(C)[NH+]=C(NCCc1ccco1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262702140 527383427 /nfs/dbraw/zinc/38/34/27/527383427.db2.gz ZJPZWOHNIFZERN-INIZCTEOSA-N 2 0 316.449 2.122 20 30 DEEDRP CCNC(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)=[NH+]CC ZINC000264110487 528007186 /nfs/dbraw/zinc/00/71/86/528007186.db2.gz QQKVNXNGYHMHNL-QGZVFWFLSA-N 2 0 302.466 2.126 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000264098788 529075210 /nfs/dbraw/zinc/07/52/10/529075210.db2.gz MIOXYRQDKGPKHJ-OAHLLOKOSA-N 2 0 313.449 2.099 20 30 DEEDRP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001327696884 1148625939 /nfs/dbraw/zinc/62/59/39/1148625939.db2.gz YZCSISQQVHFNOK-UHFFFAOYSA-N 2 0 313.445 2.290 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001327940990 1148682327 /nfs/dbraw/zinc/68/23/27/1148682327.db2.gz OWDRMWBMUFPFKR-SJORKVTESA-N 2 0 321.509 2.489 20 30 DEEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001027648521 634383500 /nfs/dbraw/zinc/38/35/00/634383500.db2.gz XAWNKAWIMHHPRT-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]12 ZINC001026304921 625283100 /nfs/dbraw/zinc/28/31/00/625283100.db2.gz RUYQATNNHSGHAT-KBAYOESNSA-N 2 0 324.428 2.351 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001026368438 625367154 /nfs/dbraw/zinc/36/71/54/625367154.db2.gz PRFREXJHRHVQKL-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475852 625467482 /nfs/dbraw/zinc/46/74/82/625467482.db2.gz VLLXPIUPOXOYCR-RDJZCZTQSA-N 2 0 324.428 2.188 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001026560151 625525526 /nfs/dbraw/zinc/52/55/26/625525526.db2.gz COEBGRORLSIJFT-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648419 622863413 /nfs/dbraw/zinc/86/34/13/622863413.db2.gz JNEGXPMHUMRZTF-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969951423 623016384 /nfs/dbraw/zinc/01/63/84/623016384.db2.gz ZLZROIDOWMFLHR-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970028724 623062873 /nfs/dbraw/zinc/06/28/73/623062873.db2.gz WKOZVMRMKVWIQJ-DOTOQJQBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC000970338930 623406505 /nfs/dbraw/zinc/40/65/05/623406505.db2.gz JJGHAVOQSHFKBP-CQSZACIVSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970593379 623564271 /nfs/dbraw/zinc/56/42/71/623564271.db2.gz KNAPRPNFKALAAR-HNNXBMFYSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719955 623641935 /nfs/dbraw/zinc/64/19/35/623641935.db2.gz XNMFBHDLQJMMFN-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022585091 624761326 /nfs/dbraw/zinc/76/13/26/624761326.db2.gz LPFZXSFOSHZWSO-KFWWJZLASA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926344888 624773757 /nfs/dbraw/zinc/77/37/57/624773757.db2.gz ZFJRPQZQKDZRMS-VGUREELVSA-N 2 0 308.466 2.199 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000104174484 624782798 /nfs/dbraw/zinc/78/27/98/624782798.db2.gz DYODJBGWSICGEX-ZDUSSCGKSA-N 2 0 320.437 2.162 20 30 DEEDRP CCOCCC1(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)CCCC1 ZINC000156935235 625175948 /nfs/dbraw/zinc/17/59/48/625175948.db2.gz DUHBOLAIYHBBQT-INIZCTEOSA-N 2 0 324.513 2.362 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]12 ZINC001026267880 625240716 /nfs/dbraw/zinc/24/07/16/625240716.db2.gz RMMGKYBURBDMEX-IXDOHACOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372790 625242244 /nfs/dbraw/zinc/24/22/44/625242244.db2.gz XZQAUFMTXGJOHC-AEFFLSMTSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000999308101 634556504 /nfs/dbraw/zinc/55/65/04/634556504.db2.gz PIOALHIPJUVQAM-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999574268 634634815 /nfs/dbraw/zinc/63/48/15/634634815.db2.gz MRXSLIWGUMFJEI-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024691716 632926759 /nfs/dbraw/zinc/92/67/59/632926759.db2.gz AAPHSAUWXQPTJT-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995906622 633134195 /nfs/dbraw/zinc/13/41/95/633134195.db2.gz SAKQGFXCEURTIX-HOTGVXAUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC000995957842 633148675 /nfs/dbraw/zinc/14/86/75/633148675.db2.gz DBIIPBINTKTLSI-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974581039 633162196 /nfs/dbraw/zinc/16/21/96/633162196.db2.gz VRCLDROZFUWOHR-HZPDHXFCSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601029 633168238 /nfs/dbraw/zinc/16/82/38/633168238.db2.gz QXOZPJUOABHZPM-ARFHVFGLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608255 633179189 /nfs/dbraw/zinc/17/91/89/633179189.db2.gz XSNHEEYNXZEILR-BZUAXINKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465163 633262512 /nfs/dbraw/zinc/26/25/12/633262512.db2.gz RSXWSEMYYVBJJD-HNNXBMFYSA-N 2 0 313.873 2.192 20 30 DEEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1(C)C ZINC000996507589 633269298 /nfs/dbraw/zinc/26/92/98/633269298.db2.gz QFKXUMCZNDGXGV-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996659675 633332480 /nfs/dbraw/zinc/33/24/80/633332480.db2.gz PXYPEDBALREWID-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996669531 633343790 /nfs/dbraw/zinc/34/37/90/633343790.db2.gz GVZZLMQXDYRTBR-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974944134 633376185 /nfs/dbraw/zinc/37/61/85/633376185.db2.gz GBCOGJCZVROTDH-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996977060 633551167 /nfs/dbraw/zinc/55/11/67/633551167.db2.gz GQWXWAWIGPAYFG-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997119460 633601440 /nfs/dbraw/zinc/60/14/40/633601440.db2.gz JVICNZDOFFRHHE-SJLPKXTDSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997874404 634017623 /nfs/dbraw/zinc/01/76/23/634017623.db2.gz LXMQCGWEMXGVKG-FUHWJXTLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997951770 634072979 /nfs/dbraw/zinc/07/29/79/634072979.db2.gz ZSOCWYRHGONGPP-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998015927 634112903 /nfs/dbraw/zinc/11/29/03/634112903.db2.gz GHKOBFGSAKQLFZ-KZNAEPCWSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575653 634181090 /nfs/dbraw/zinc/18/10/90/634181090.db2.gz BTNJMJLYSFFNRD-LSDHHAIUSA-N 2 0 313.873 2.146 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027602062 634255857 /nfs/dbraw/zinc/25/58/57/634255857.db2.gz KQGKXKMRRMCICJ-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980083302 634845252 /nfs/dbraw/zinc/84/52/52/634845252.db2.gz IAKNKFHORXOGHA-ULQDDVLXSA-N 2 0 317.477 2.018 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980170331 634873652 /nfs/dbraw/zinc/87/36/52/634873652.db2.gz BNJVCZDRIURUDM-RCCFBDPRSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000707580 635282434 /nfs/dbraw/zinc/28/24/34/635282434.db2.gz HKYPFKGYAJXSJF-SFHVURJKSA-N 2 0 317.477 2.043 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000887973 635330086 /nfs/dbraw/zinc/33/00/86/635330086.db2.gz WHTCYLFTRUFIGO-SFHVURJKSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001079991 635401992 /nfs/dbraw/zinc/40/19/92/635401992.db2.gz JKNYRFWKEZGHIU-SFHVURJKSA-N 2 0 319.493 2.433 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981269145 635416970 /nfs/dbraw/zinc/41/69/70/635416970.db2.gz UHPKFBVAWDHFIX-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001912724 635574249 /nfs/dbraw/zinc/57/42/49/635574249.db2.gz ZCXCOONGKLDDDT-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911962 635574660 /nfs/dbraw/zinc/57/46/60/635574660.db2.gz RMCFHFMPFWVICO-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001002005685 635600738 /nfs/dbraw/zinc/60/07/38/635600738.db2.gz TVBSUNPCSGSDBQ-UHFFFAOYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586694 636269624 /nfs/dbraw/zinc/26/96/24/636269624.db2.gz SKWCFEAZHHRNOA-KSZLIROESA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982831708 636495673 /nfs/dbraw/zinc/49/56/73/636495673.db2.gz QAHDJPAZDRUADY-YTQUADARSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]C(C)C)CC1 ZINC001005006834 636633212 /nfs/dbraw/zinc/63/32/12/636633212.db2.gz ZTEZZRRCJMBKDM-SJLPKXTDSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028754360 636700444 /nfs/dbraw/zinc/70/04/44/636700444.db2.gz CXHNUZBLERIWAO-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755568 636705604 /nfs/dbraw/zinc/70/56/04/636705604.db2.gz QEMPNLKYLZDESZ-WMZOPIPTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001005582809 636787992 /nfs/dbraw/zinc/78/79/92/636787992.db2.gz SGAAROKLMRCWDN-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005586046 636789554 /nfs/dbraw/zinc/78/95/54/636789554.db2.gz UKBOUWDRVJLTIC-IAGOWNOFSA-N 2 0 305.466 2.112 20 30 DEEDRP C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925002661 636799666 /nfs/dbraw/zinc/79/96/66/636799666.db2.gz MLSHZYQCKMZMBC-HNNXBMFYSA-N 2 0 300.450 2.387 20 30 DEEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923497352 637213509 /nfs/dbraw/zinc/21/35/09/637213509.db2.gz DRNYAVFNNZEIRO-XJKSGUPXSA-N 2 0 303.450 2.390 20 30 DEEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006291636 637330709 /nfs/dbraw/zinc/33/07/09/637330709.db2.gz GPDGLMMQKLQCMW-FUHWJXTLSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000756099502 639625041 /nfs/dbraw/zinc/62/50/41/639625041.db2.gz IISXBKKRQBAPKS-UHFFFAOYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740761 641216369 /nfs/dbraw/zinc/21/63/69/641216369.db2.gz YDXGYRUALXEMCE-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740762 641216793 /nfs/dbraw/zinc/21/67/93/641216793.db2.gz YDXGYRUALXEMCE-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924690048 641582160 /nfs/dbraw/zinc/58/21/60/641582160.db2.gz MQCYYNDFDNSLLS-OAHLLOKOSA-N 2 0 315.465 2.251 20 30 DEEDRP C#C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CCCO1 ZINC000775572076 642061243 /nfs/dbraw/zinc/06/12/43/642061243.db2.gz OSKDVNAOYISPAB-ZYSHUDEJSA-N 2 0 316.445 2.458 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000900044402 642246388 /nfs/dbraw/zinc/24/63/88/642246388.db2.gz CDOWFVXTQLVXEX-UHFFFAOYSA-N 2 0 315.461 2.229 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000900492639 642386513 /nfs/dbraw/zinc/38/65/13/642386513.db2.gz VGKZGFTXLZFOMA-INIZCTEOSA-N 2 0 319.449 2.349 20 30 DEEDRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902794728 643148602 /nfs/dbraw/zinc/14/86/02/643148602.db2.gz YPHRVVAMFRRRQI-QAPCUYQASA-N 2 0 300.450 2.235 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907282705 644497923 /nfs/dbraw/zinc/49/79/23/644497923.db2.gz PPOBMTBPFQPYSF-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907862532 644664711 /nfs/dbraw/zinc/66/47/11/644664711.db2.gz XPBURZUIATWWOZ-SFHVURJKSA-N 2 0 315.461 2.133 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000813531683 646783131 /nfs/dbraw/zinc/78/31/31/646783131.db2.gz LWAAGHGJDNCQJB-NVXWUHKLSA-N 2 0 303.450 2.220 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992192663 646896495 /nfs/dbraw/zinc/89/64/95/646896495.db2.gz TYKGATZMPZCKFA-SOLBZPMBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992288782 646930387 /nfs/dbraw/zinc/93/03/87/646930387.db2.gz SNECTZFVZKUSHO-IEBWSBKVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC000992468828 647042441 /nfs/dbraw/zinc/04/24/41/647042441.db2.gz ZEOBISWJNJCLPW-NEWSRXKRSA-N 2 0 317.477 2.162 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC000992715139 647194286 /nfs/dbraw/zinc/19/42/86/647194286.db2.gz RRRMNOJMTPJUQF-RYQLBKOJSA-N 2 0 319.493 2.264 20 30 DEEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819151978 647595325 /nfs/dbraw/zinc/59/53/25/647595325.db2.gz JPJQVJCYZAKDQC-AEFFLSMTSA-N 2 0 301.434 2.159 20 30 DEEDRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000819230821 647612831 /nfs/dbraw/zinc/61/28/31/647612831.db2.gz LUMUURCQYPEREC-QAPCUYQASA-N 2 0 301.434 2.446 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000940790034 648942018 /nfs/dbraw/zinc/94/20/18/648942018.db2.gz SFIYNBKMIYGYNP-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941237022 649028478 /nfs/dbraw/zinc/02/84/78/649028478.db2.gz GBWLYYFXANOLRD-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942206468 649184553 /nfs/dbraw/zinc/18/45/53/649184553.db2.gz ZWTNDAGFNLSCED-KDOFPFPSSA-N 2 0 324.428 2.106 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256099 649191426 /nfs/dbraw/zinc/19/14/26/649191426.db2.gz CVTBQBBVEPOSEU-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435984 649207521 /nfs/dbraw/zinc/20/75/21/649207521.db2.gz QREILWNQWLNECG-MSOLQXFVSA-N 2 0 321.509 2.463 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439280 649215670 /nfs/dbraw/zinc/21/56/70/649215670.db2.gz LWPYDWNCJMXAKU-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000846129749 651309927 /nfs/dbraw/zinc/30/99/27/651309927.db2.gz CXDOCOOLSFPXMR-OAHLLOKOSA-N 2 0 323.868 2.219 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000849007940 651579837 /nfs/dbraw/zinc/57/98/37/651579837.db2.gz FWTCNHDHSVQTRJ-UHFFFAOYSA-N 2 0 316.449 2.351 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000304761762 685259730 /nfs/dbraw/zinc/25/97/30/685259730.db2.gz UVDFYMARFXRHQO-HNNXBMFYSA-N 2 0 314.433 2.364 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054239677 693896689 /nfs/dbraw/zinc/89/66/89/693896689.db2.gz JXUXXPVOESCSDU-LJQANCHMSA-N 2 0 319.493 2.363 20 30 DEEDRP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001054259257 693904930 /nfs/dbraw/zinc/90/49/30/693904930.db2.gz RRPRSJIIPHAYFD-SFHVURJKSA-N 2 0 313.445 2.289 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245922449 685120530 /nfs/dbraw/zinc/12/05/30/685120530.db2.gz UUXLXMBQYWFXLY-HUUCEWRRSA-N 2 0 318.465 2.220 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000246902514 685138782 /nfs/dbraw/zinc/13/87/82/685138782.db2.gz FQXSVJMCSVTBGB-CVEARBPZSA-N 2 0 300.450 2.105 20 30 DEEDRP CC(C)NC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303891626 685238485 /nfs/dbraw/zinc/23/84/85/685238485.db2.gz NEONOYRKCRMSLU-GASCZTMLSA-N 2 0 318.465 2.109 20 30 DEEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+](C)C1CC1 ZINC000303979036 685241410 /nfs/dbraw/zinc/24/14/10/685241410.db2.gz MSJJATIDZKFJDT-LBPRGKRZSA-N 2 0 318.421 2.057 20 30 DEEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303985559 685242470 /nfs/dbraw/zinc/24/24/70/685242470.db2.gz SZYPUXVVAFQRDI-ZDUSSCGKSA-N 2 0 320.437 2.305 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016982864 687749310 /nfs/dbraw/zinc/74/93/10/687749310.db2.gz MQZFBOCCOJGWIV-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP 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 687971663 /nfs/dbraw/zinc/97/16/63/687971663.db2.gz ODCLBKJPSPLQGR-XLAORIBOSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001019068720 688280454 /nfs/dbraw/zinc/28/04/54/688280454.db2.gz JLJGOGOVADGPCS-HNNXBMFYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026492399 688528725 /nfs/dbraw/zinc/52/87/25/688528725.db2.gz LAXLHUKFZOGTDN-OFLPRAFFSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803602 689265101 /nfs/dbraw/zinc/26/51/01/689265101.db2.gz GCJDXWILEMOVIF-BZSNNMDCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033147084 689404934 /nfs/dbraw/zinc/40/49/34/689404934.db2.gz SAIYRIAQFPWYAE-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033884048 689649977 /nfs/dbraw/zinc/64/99/77/689649977.db2.gz XAEVJKHOQWOBNR-INIZCTEOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034240955 689778185 /nfs/dbraw/zinc/77/81/85/689778185.db2.gz VHEULQUQZWAHCO-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250500 689781112 /nfs/dbraw/zinc/78/11/12/689781112.db2.gz RBRZNELTYIFMBP-ZWKOTPCHSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034281108 689792669 /nfs/dbraw/zinc/79/26/69/689792669.db2.gz CLFWCYJRWPXTIM-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034394576 689833360 /nfs/dbraw/zinc/83/33/60/689833360.db2.gz PJTGJBIYELLQNX-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000876717499 689913914 /nfs/dbraw/zinc/91/39/14/689913914.db2.gz GPIIUOQZYAQHGT-UONOGXRCSA-N 2 0 303.878 2.329 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001034682074 689925538 /nfs/dbraw/zinc/92/55/38/689925538.db2.gz HDCCURXXDXRQSV-WKILWMFISA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001034754278 689940980 /nfs/dbraw/zinc/94/09/80/689940980.db2.gz YKZFFYRJLLRFEP-LUKYLMHMSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001034784053 689947088 /nfs/dbraw/zinc/94/70/88/689947088.db2.gz CQSDFRVCINZWIC-BQFCYCMXSA-N 2 0 305.466 2.065 20 30 DEEDRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000877266887 690060622 /nfs/dbraw/zinc/06/06/22/690060622.db2.gz LWXGHZIIOJZTLN-QGZVFWFLSA-N 2 0 322.497 2.224 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035721638 690161114 /nfs/dbraw/zinc/16/11/14/690161114.db2.gz XOFMWVVPOKLFQZ-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP Cc1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C#N ZINC000877670035 690184885 /nfs/dbraw/zinc/18/48/85/690184885.db2.gz FXZRKALVWCHWCP-RTBURBONSA-N 2 0 314.477 2.038 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035857983 690194555 /nfs/dbraw/zinc/19/45/55/690194555.db2.gz DMNQLSABFXZXFE-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035858270 690194585 /nfs/dbraw/zinc/19/45/85/690194585.db2.gz RKWIHJVEOAJCGE-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001036056932 690248623 /nfs/dbraw/zinc/24/86/23/690248623.db2.gz WTNDQCSOKMVEEM-SWLSCSKDSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001036306741 690316412 /nfs/dbraw/zinc/31/64/12/690316412.db2.gz YMDQEUCDJZQORH-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737775 690453755 /nfs/dbraw/zinc/45/37/55/690453755.db2.gz WDURUJOKEMOULB-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820899 690485511 /nfs/dbraw/zinc/48/55/11/690485511.db2.gz QLNAPZIDMKSXMQ-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C[NH+](C)CC1(O)CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000931484784 694409471 /nfs/dbraw/zinc/40/94/71/694409471.db2.gz XGWHZGKWLOIFTR-UHFFFAOYSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001039382931 691093898 /nfs/dbraw/zinc/09/38/98/691093898.db2.gz ZGTHFNCCEPPGGG-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041345520 691365018 /nfs/dbraw/zinc/36/50/18/691365018.db2.gz AYKNKIXIMMSMFS-MJGOQNOKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041675728 691408538 /nfs/dbraw/zinc/40/85/38/691408538.db2.gz RQQFFWVQBUPGHQ-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042154873 691524612 /nfs/dbraw/zinc/52/46/12/691524612.db2.gz AVWVFNBWUKCGCC-QAPCUYQASA-N 2 0 324.428 2.447 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256777 691549947 /nfs/dbraw/zinc/54/99/47/691549947.db2.gz ZMMNDJOWDOVDDP-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001044794648 691888452 /nfs/dbraw/zinc/88/84/52/691888452.db2.gz XNPJTVQISSKEKJ-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001044877681 691901555 /nfs/dbraw/zinc/90/15/55/691901555.db2.gz KBDBZECEMWXNAW-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045966268 692064384 /nfs/dbraw/zinc/06/43/84/692064384.db2.gz SMKHZXBJXOTLKB-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045984705 692069164 /nfs/dbraw/zinc/06/91/64/692069164.db2.gz HFGSROJXVZMROF-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOCC1 ZINC000886381680 692070090 /nfs/dbraw/zinc/07/00/90/692070090.db2.gz NLBRNXYGRULTQS-UHFFFAOYSA-N 2 0 316.445 2.289 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046561665 692223651 /nfs/dbraw/zinc/22/36/51/692223651.db2.gz JAOBVZDQFAIFNJ-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001048512346 692634997 /nfs/dbraw/zinc/63/49/97/692634997.db2.gz PGVYIXJOUBSYRV-MHORFTMASA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094671 692762087 /nfs/dbraw/zinc/76/20/87/692762087.db2.gz OWCVNKDXWLMBBQ-KURKYZTESA-N 2 0 319.493 2.217 20 30 DEEDRP 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 692795652 /nfs/dbraw/zinc/79/56/52/692795652.db2.gz UEQUERMTDORLHC-TVFCKZIOSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049464588 692890377 /nfs/dbraw/zinc/89/03/77/692890377.db2.gz NWGROOJXYNQLTB-ZACQAIPSSA-N 2 0 305.466 2.111 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514815 692906555 /nfs/dbraw/zinc/90/65/55/692906555.db2.gz JHCVNUGXQWGHHR-OKZBNKHCSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001049718401 692974474 /nfs/dbraw/zinc/97/44/74/692974474.db2.gz IYWOAWGXQPZTJU-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049898042 693040326 /nfs/dbraw/zinc/04/03/26/693040326.db2.gz WKXDIHXWFWGHFR-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095152 693106940 /nfs/dbraw/zinc/10/69/40/693106940.db2.gz AZNLONSXYNOHBW-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001050172279 693129343 /nfs/dbraw/zinc/12/93/43/693129343.db2.gz IIPDCBMMPDEZCR-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050183867 693131975 /nfs/dbraw/zinc/13/19/75/693131975.db2.gz VYBWELKXEOGLJK-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001050731170 693239543 /nfs/dbraw/zinc/23/95/43/693239543.db2.gz WAXJHXQSKLPEOD-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052367842 693516356 /nfs/dbraw/zinc/51/63/56/693516356.db2.gz BYVSQJGYHCQKIO-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001391859382 1156817796 /nfs/dbraw/zinc/81/77/96/1156817796.db2.gz APCIQUGMLNZRFQ-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)CN1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001392995402 1157595345 /nfs/dbraw/zinc/59/53/45/1157595345.db2.gz WYHYWTBTELQVQO-INIZCTEOSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001394510704 1158599806 /nfs/dbraw/zinc/59/98/06/1158599806.db2.gz MOSKBBBSHWJUPD-HUUCEWRRSA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H](C)C1 ZINC001375745488 1158860289 /nfs/dbraw/zinc/86/02/89/1158860289.db2.gz YPVXSBFTKGLCOT-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001376723545 1159725320 /nfs/dbraw/zinc/72/53/20/1159725320.db2.gz KICIADCRCBGPQN-CYBMUJFWSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001401640937 1162055701 /nfs/dbraw/zinc/05/57/01/1162055701.db2.gz MAFXCXFVNIUNSX-CQSZACIVSA-N 2 0 323.868 2.251 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001419796661 1168849882 /nfs/dbraw/zinc/84/98/82/1168849882.db2.gz RBURGWZONMKHMR-NSHDSACASA-N 2 0 306.797 2.103 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001421701669 1171913744 /nfs/dbraw/zinc/91/37/44/1171913744.db2.gz SMMYWJHMPCKGIL-RBSFLKMASA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001437160155 1179501791 /nfs/dbraw/zinc/50/17/91/1179501791.db2.gz AVBIVZIRMBUYPN-CYBMUJFWSA-N 2 0 315.889 2.486 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001438527892 1180551827 /nfs/dbraw/zinc/55/18/27/1180551827.db2.gz ZUTYAYGADGUFBI-UKRRQHHQSA-N 2 0 315.889 2.203 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001447792280 1184876219 /nfs/dbraw/zinc/87/62/19/1184876219.db2.gz IEENMZBJNKLTJQ-NRXISQOPSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001332413519 1149857945 /nfs/dbraw/zinc/85/79/45/1149857945.db2.gz OOCHJQGGMNXZPX-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225355 782705486 /nfs/dbraw/zinc/70/54/86/782705486.db2.gz RSYXBYROOFUKFN-JKSUJKDBSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099239785 782810832 /nfs/dbraw/zinc/81/08/32/782810832.db2.gz JXMNEJHLYGQNNL-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106827299 782966068 /nfs/dbraw/zinc/96/60/68/782966068.db2.gz QGUFKQOXOUKLRF-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419430 783089073 /nfs/dbraw/zinc/08/90/73/783089073.db2.gz GKZPSFAJCVEKQG-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073098818 790452338 /nfs/dbraw/zinc/45/23/38/790452338.db2.gz SQEXXYVOVIRTGO-UHFFFAOYSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#Cc1cncc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001211056351 776985360 /nfs/dbraw/zinc/98/53/60/776985360.db2.gz NAFRPEHGPUCZIF-UHFFFAOYSA-N 2 0 307.401 2.343 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171121535 790693585 /nfs/dbraw/zinc/69/35/85/790693585.db2.gz UTLBTGYURLMHGY-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728203 779426868 /nfs/dbraw/zinc/42/68/68/779426868.db2.gz JNVGZOKMQVSUBJ-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840659 779478657 /nfs/dbraw/zinc/47/86/57/779478657.db2.gz IHEJWRMFGLXQQE-GVDBMIGSSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088326642 779957764 /nfs/dbraw/zinc/95/77/64/779957764.db2.gz UKFFMYXQGKERMP-QZTJIDSGSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088373408 780030476 /nfs/dbraw/zinc/03/04/76/780030476.db2.gz CDZVUALQPKFBMP-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168291484 780810661 /nfs/dbraw/zinc/81/06/61/780810661.db2.gz YXOXZNFHJXHCIB-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101024823 780918509 /nfs/dbraw/zinc/91/85/09/780918509.db2.gz HYJXRGFEUNIZNK-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046629 781095664 /nfs/dbraw/zinc/09/56/64/781095664.db2.gz DMBOJOAPZBOIPQ-MAUKXSAKSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948554622 783500808 /nfs/dbraw/zinc/50/08/08/783500808.db2.gz XOSBQGRBEFJQDO-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948619947 783531670 /nfs/dbraw/zinc/53/16/70/783531670.db2.gz AOXLNDIEIHAWTI-QGZVFWFLSA-N 2 0 324.428 2.284 20 30 DEEDRP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171198868 790953017 /nfs/dbraw/zinc/95/30/17/790953017.db2.gz RUBQWUHNCHUAJD-OAHLLOKOSA-N 2 0 301.434 2.319 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001085333538 783642385 /nfs/dbraw/zinc/64/23/85/783642385.db2.gz VHJYRDHQALQHNP-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085604044 783880130 /nfs/dbraw/zinc/88/01/30/783880130.db2.gz VSYUCMRDPAKXJQ-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967092174 783880492 /nfs/dbraw/zinc/88/04/92/783880492.db2.gz WMENSYSLDFZOSA-CXAGYDPISA-N 2 0 312.417 2.269 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967208217 783905476 /nfs/dbraw/zinc/90/54/76/783905476.db2.gz RNZCHWDPLJQTPJ-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969001612 784684899 /nfs/dbraw/zinc/68/48/99/784684899.db2.gz CMKACFISMCVEPP-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008267671 785157010 /nfs/dbraw/zinc/15/70/10/785157010.db2.gz BZZCVQWQZVCBAH-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578244 786163444 /nfs/dbraw/zinc/16/34/44/786163444.db2.gz FVEFQGHQHCEFPP-LNLFQRSKSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCCCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001113271205 786486318 /nfs/dbraw/zinc/48/63/18/786486318.db2.gz JNUWXGRYPXOYSZ-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001113536189 786666947 /nfs/dbraw/zinc/66/69/47/786666947.db2.gz HWEKNAVXIHMBDJ-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429494 787213968 /nfs/dbraw/zinc/21/39/68/787213968.db2.gz HEYJEWUGARHPBL-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC001130491221 787406371 /nfs/dbraw/zinc/40/63/71/787406371.db2.gz NXMRADTUGLHHBN-OAHLLOKOSA-N 2 0 320.481 2.499 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105895 787932722 /nfs/dbraw/zinc/93/27/22/787932722.db2.gz OELPGCPWBMRWEF-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097063626 787962634 /nfs/dbraw/zinc/96/26/34/787962634.db2.gz OOZWIGBSXYQNLY-NCOADZHNSA-N 2 0 305.466 2.157 20 30 DEEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132925574 788228875 /nfs/dbraw/zinc/22/88/75/788228875.db2.gz YHAOSCHJJJIXAH-SJORKVTESA-N 2 0 319.493 2.123 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133121288 788287497 /nfs/dbraw/zinc/28/74/97/788287497.db2.gz GBHOMZNMPVSPTR-DLBZAZTESA-N 2 0 321.509 2.062 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345365 788375569 /nfs/dbraw/zinc/37/55/69/788375569.db2.gz BDLKUNZLCHVDLB-SJORKVTESA-N 2 0 309.498 2.367 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170750739 788919987 /nfs/dbraw/zinc/91/99/87/788919987.db2.gz MOVNILMHMPVJAJ-SJORKVTESA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134784261 789083358 /nfs/dbraw/zinc/08/33/58/789083358.db2.gz SAIHQJHEXOKIFQ-CVEARBPZSA-N 2 0 318.465 2.357 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888255 789127876 /nfs/dbraw/zinc/12/78/76/789127876.db2.gz LJHZBFLOOLMZDG-KGLIPLIRSA-N 2 0 300.406 2.397 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100602 789198339 /nfs/dbraw/zinc/19/83/39/789198339.db2.gz DRLJONCTWFMVNO-HZPDHXFCSA-N 2 0 317.477 2.463 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1ccnc1C(C)C ZINC001135625970 789420918 /nfs/dbraw/zinc/42/09/18/789420918.db2.gz PFZDJWLMKWZDTA-GJZGRUSLSA-N 2 0 306.454 2.456 20 30 DEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071645466 789837642 /nfs/dbraw/zinc/83/76/42/789837642.db2.gz JPZPAJPNWBSJDG-JKSUJKDBSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682174 789862462 /nfs/dbraw/zinc/86/24/62/789862462.db2.gz IDCWUONHLYEZCE-ZBFHGGJFSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071794781 789922318 /nfs/dbraw/zinc/92/23/18/789922318.db2.gz FNIWJIAQYGFBFR-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074648767 791258853 /nfs/dbraw/zinc/25/88/53/791258853.db2.gz IMLVVDNMKAGRKO-KKUMJFAQSA-N 2 0 313.873 2.191 20 30 DEEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001086849019 791567163 /nfs/dbraw/zinc/56/71/63/791567163.db2.gz RVBLYIOSSLOZBZ-RCCFBDPRSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001098463966 791635017 /nfs/dbraw/zinc/63/50/17/791635017.db2.gz JGBKWNXGDBLIEH-NCOADZHNSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160884 791701068 /nfs/dbraw/zinc/70/10/68/791701068.db2.gz NISNTSBRTJQMIQ-MRXNPFEDSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 791707449 /nfs/dbraw/zinc/70/74/49/791707449.db2.gz ZXJMAGXKLZWIFJ-NTDBWNAOSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157603 791935508 /nfs/dbraw/zinc/93/55/08/791935508.db2.gz GMZOSAZCFRHZIN-MJGOQNOKSA-N 2 0 319.493 2.073 20 30 DEEDRP 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 792240186 /nfs/dbraw/zinc/24/01/86/792240186.db2.gz VRAPZZXNQCDTMT-MHORFTMASA-N 2 0 319.493 2.072 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450020 792929148 /nfs/dbraw/zinc/92/91/48/792929148.db2.gz FIZVEOYBSOWWJP-LZLYRXPVSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508362 793118464 /nfs/dbraw/zinc/11/84/64/793118464.db2.gz CVAQMOXSGBKDAL-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509404 793118646 /nfs/dbraw/zinc/11/86/46/793118646.db2.gz OZOWYJXTCNCWGX-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171509753 793119366 /nfs/dbraw/zinc/11/93/66/793119366.db2.gz UMAQUMVEVSNRFM-QGZVFWFLSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171647447 793157693 /nfs/dbraw/zinc/15/76/93/793157693.db2.gz VXIRHSWTLFCIQL-QZTJIDSGSA-N 2 0 321.509 2.395 20 30 DEEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001101583448 793246069 /nfs/dbraw/zinc/24/60/69/793246069.db2.gz YSAAXZJCTVUFSN-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](C3COC3)CC2)CC1 ZINC001173317868 793689384 /nfs/dbraw/zinc/68/93/84/793689384.db2.gz PCFDGMQUORUCCT-UHFFFAOYSA-N 2 0 308.466 2.201 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650671 794042329 /nfs/dbraw/zinc/04/23/29/794042329.db2.gz SUGXEBFKCJQEHH-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928555 794093442 /nfs/dbraw/zinc/09/34/42/794093442.db2.gz JZQLQQWQWCVWGE-OAHLLOKOSA-N 2 0 319.449 2.243 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001175218308 794160016 /nfs/dbraw/zinc/16/00/16/794160016.db2.gz QAQMKVANXCIGSO-DLBZAZTESA-N 2 0 309.498 2.395 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175317812 794181048 /nfs/dbraw/zinc/18/10/48/794181048.db2.gz QRWFCKKGGGACSG-KGLIPLIRSA-N 2 0 303.878 2.344 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175566055 794244330 /nfs/dbraw/zinc/24/43/30/794244330.db2.gz PHVZGZRLINBIHE-IAGOWNOFSA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868968 794507037 /nfs/dbraw/zinc/50/70/37/794507037.db2.gz SFHSIUBCBGEGPA-BQFCYCMXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874998 794509230 /nfs/dbraw/zinc/50/92/30/794509230.db2.gz LQSJSUSHTFJVLV-BQFCYCMXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]cn1)C2 ZINC001112386607 794618023 /nfs/dbraw/zinc/61/80/23/794618023.db2.gz CHVGZRUOLFJLDG-YJBOKZPZSA-N 2 0 316.449 2.137 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115562746 794822709 /nfs/dbraw/zinc/82/27/09/794822709.db2.gz IQIFLNSNPNQMDZ-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)c2ccn3c[nH+]cc3c2)CCCCC1 ZINC001115617430 794844113 /nfs/dbraw/zinc/84/41/13/794844113.db2.gz VYXBKFPYTJDYGC-UHFFFAOYSA-N 2 0 324.428 2.380 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178920560 795031463 /nfs/dbraw/zinc/03/14/63/795031463.db2.gz ADTUWOZTFWWQPD-GOSISDBHSA-N 2 0 321.509 2.396 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179393123 795112959 /nfs/dbraw/zinc/11/29/59/795112959.db2.gz QQOUCOLSJQEJQW-UHFFFAOYSA-N 2 0 315.889 2.347 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C(C)C)CC1 ZINC001180360914 795282108 /nfs/dbraw/zinc/28/21/08/795282108.db2.gz PXIVPCCGDYVPOZ-UHFFFAOYSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422666 795456020 /nfs/dbraw/zinc/45/60/20/795456020.db2.gz NXMBYBXFOFOVAA-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181941686 795566416 /nfs/dbraw/zinc/56/64/16/795566416.db2.gz KJVDYCGUJCLIOJ-CRAIPNDOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007444 795592564 /nfs/dbraw/zinc/59/25/64/795592564.db2.gz NLAGPPZFMRQLAC-SJLPKXTDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001121835950 795692634 /nfs/dbraw/zinc/69/26/34/795692634.db2.gz ZVQKZRXFHMWCJC-ZGJUNIKESA-N 2 0 316.449 2.324 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001183044082 795794683 /nfs/dbraw/zinc/79/46/83/795794683.db2.gz CEHLKFOOAVOVJF-KRWDZBQOSA-N 2 0 305.466 2.115 20 30 DEEDRP C#CC[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001184115593 795999376 /nfs/dbraw/zinc/99/93/76/795999376.db2.gz KETXPRSQMGDBQR-UHFFFAOYSA-N 2 0 315.417 2.414 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184821948 796133172 /nfs/dbraw/zinc/13/31/72/796133172.db2.gz NMPHQYMPCUQRHX-LSDHHAIUSA-N 2 0 312.417 2.208 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168806 796200929 /nfs/dbraw/zinc/20/09/29/796200929.db2.gz JEVXOCVXOJQMAS-IRXDYDNUSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168696 796201057 /nfs/dbraw/zinc/20/10/57/796201057.db2.gz IUYQPJYXAZSJHG-DLBZAZTESA-N 2 0 321.509 2.062 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213848 796214505 /nfs/dbraw/zinc/21/45/05/796214505.db2.gz NYUYLDUSPIZKPE-MRXNPFEDSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185749538 796309945 /nfs/dbraw/zinc/30/99/45/796309945.db2.gz CJMWQCZGFVMIFT-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161206703 796477086 /nfs/dbraw/zinc/47/70/86/796477086.db2.gz LAQSYERBJWXBKH-AEFFLSMTSA-N 2 0 319.493 2.289 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034625 796481871 /nfs/dbraw/zinc/48/18/71/796481871.db2.gz KHAWCOGRYVAQGH-MSOLQXFVSA-N 2 0 315.461 2.446 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028633 796515157 /nfs/dbraw/zinc/51/51/57/796515157.db2.gz OKNRGQRTYMZOST-HOTGVXAUSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305235 796522390 /nfs/dbraw/zinc/52/23/90/796522390.db2.gz SBLSIPIGOCDLGQ-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084460 796935753 /nfs/dbraw/zinc/93/57/53/796935753.db2.gz NSMKORKPADPTCE-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190742175 797066411 /nfs/dbraw/zinc/06/64/11/797066411.db2.gz BGWHPDFTJSOISZ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163546 797148703 /nfs/dbraw/zinc/14/87/03/797148703.db2.gz WLKATGFFCZOLHJ-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551674 797225184 /nfs/dbraw/zinc/22/51/84/797225184.db2.gz PJQOIXYISPAJIK-GOSISDBHSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819009 797403573 /nfs/dbraw/zinc/40/35/73/797403573.db2.gz KAWJOHZDSOATLP-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498580 797575663 /nfs/dbraw/zinc/57/56/63/797575663.db2.gz FTAJPHPLVHAYIQ-HNNXBMFYSA-N 2 0 316.449 2.260 20 30 DEEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194040427 797668337 /nfs/dbraw/zinc/66/83/37/797668337.db2.gz QYHYYARXHIGYBJ-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195900474 797977965 /nfs/dbraw/zinc/97/79/65/797977965.db2.gz NCQCLXAQKKNPAU-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001197159042 798157674 /nfs/dbraw/zinc/15/76/74/798157674.db2.gz ZZYIJUYSZPFXHG-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227113 798363705 /nfs/dbraw/zinc/36/37/05/798363705.db2.gz ABXOTLOJMBJRRO-GOSISDBHSA-N 2 0 324.428 2.284 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329597 798385524 /nfs/dbraw/zinc/38/55/24/798385524.db2.gz RSWODPZMWQRLKP-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120844 798649916 /nfs/dbraw/zinc/64/99/16/798649916.db2.gz SGTFVAYRLPYTPA-GOSISDBHSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175358 798658190 /nfs/dbraw/zinc/65/81/90/798658190.db2.gz NRKQXWYUMNCZPS-NVXWUHKLSA-N 2 0 305.466 2.041 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201037998 798709280 /nfs/dbraw/zinc/70/92/80/798709280.db2.gz RIXUPUFHAVPUCE-OAHLLOKOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201268015 798732253 /nfs/dbraw/zinc/73/22/53/798732253.db2.gz VDMOPSPMPHUNGT-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161407701 798848193 /nfs/dbraw/zinc/84/81/93/798848193.db2.gz LJUIFDJBYRERGJ-INIZCTEOSA-N 2 0 318.465 2.359 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947123 798976133 /nfs/dbraw/zinc/97/61/33/798976133.db2.gz ZBQKJKQUTJLRGL-UHFFFAOYSA-N 2 0 305.466 2.187 20 30 DEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164508552 799613093 /nfs/dbraw/zinc/61/30/93/799613093.db2.gz CVSCQNBLWUIBNF-MRXNPFEDSA-N 2 0 307.482 2.311 20 30 DEEDRP 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 799648272 /nfs/dbraw/zinc/64/82/72/799648272.db2.gz PDZXRIOXUUDDGK-MHORFTMASA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165763511 799770900 /nfs/dbraw/zinc/77/09/00/799770900.db2.gz AGSBBGOBUCLGFS-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111025301 799836640 /nfs/dbraw/zinc/83/66/40/799836640.db2.gz WNFXBHWJUGIWLO-ZACQAIPSSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316654 800036006 /nfs/dbraw/zinc/03/60/06/800036006.db2.gz IJISLKHKHMJTQW-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420790 800045059 /nfs/dbraw/zinc/04/50/59/800045059.db2.gz XDVYDXQMZXQFEM-HUUCEWRRSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+](CC)CC)C12CCC2 ZINC001203514887 800067073 /nfs/dbraw/zinc/06/70/73/800067073.db2.gz PHLTXYGIDYAYIY-KBPBESRZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742418 800115360 /nfs/dbraw/zinc/11/53/60/800115360.db2.gz NIHXTSFYJGLNNS-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823880 800128392 /nfs/dbraw/zinc/12/83/92/800128392.db2.gz MXTASMMTWDEDBO-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205524537 800369153 /nfs/dbraw/zinc/36/91/53/800369153.db2.gz PIBGYSRUJXFBFY-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206057051 800465228 /nfs/dbraw/zinc/46/52/28/800465228.db2.gz MIYALKLAJLKGDU-UHFFFAOYSA-N 2 0 319.449 2.359 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481358 800540885 /nfs/dbraw/zinc/54/08/85/800540885.db2.gz GMRNGSRBIIVNAS-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206488681 800542129 /nfs/dbraw/zinc/54/21/29/800542129.db2.gz WZZIBJSEHXIHIO-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628739 800568383 /nfs/dbraw/zinc/56/83/83/800568383.db2.gz SONMAIZSZIIRDM-SFHVURJKSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208609950 801031152 /nfs/dbraw/zinc/03/11/52/801031152.db2.gz XPQBCBMRJFTWQJ-SQNIBIBYSA-N 2 0 308.466 2.154 20 30 DEEDRP C=CCN(CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OCC ZINC001209022199 801114228 /nfs/dbraw/zinc/11/42/28/801114228.db2.gz JBWUYIHSBDKLCN-UHFFFAOYSA-N 2 0 309.454 2.049 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229693175 801306594 /nfs/dbraw/zinc/30/65/94/801306594.db2.gz OJKJHBSNGZOSKF-GVDBMIGSSA-N 2 0 307.482 2.311 20 30 DEEDRP N#Cc1cc(F)c(F)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210268068 801365309 /nfs/dbraw/zinc/36/53/09/801365309.db2.gz UMNFSZIGCULEJI-UHFFFAOYSA-N 2 0 315.327 2.385 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001230284758 801381225 /nfs/dbraw/zinc/38/12/25/801381225.db2.gz SZJUQPBOECQPHK-ZACQAIPSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056852 801795230 /nfs/dbraw/zinc/79/52/30/801795230.db2.gz LBSUOFIPMIIBOV-BRWVUGGUSA-N 2 0 319.493 2.406 20 30 DEEDRP N#Cc1ccc([C@@H](O)C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000402166673 801868006 /nfs/dbraw/zinc/86/80/06/801868006.db2.gz RZGQJHDZRCZLSV-IBGZPJMESA-N 2 0 309.413 2.443 20 30 DEEDRP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)s1 ZINC001218555127 802204834 /nfs/dbraw/zinc/20/48/34/802204834.db2.gz OMQPFSHXOVFWNP-ZDUSSCGKSA-N 2 0 308.451 2.362 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1ncc[nH]1 ZINC001234011196 802265411 /nfs/dbraw/zinc/26/54/11/802265411.db2.gz JFIOBQXTRSFIMP-LSDHHAIUSA-N 2 0 304.438 2.230 20 30 DEEDRP CCc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc(CC)c1C#N ZINC001219114245 802283904 /nfs/dbraw/zinc/28/39/04/802283904.db2.gz FHHHEFGRXLSDJA-INIZCTEOSA-N 2 0 302.422 2.078 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777156 802613351 /nfs/dbraw/zinc/61/33/51/802613351.db2.gz UUQXWRJNPXUBSX-GVDBMIGSSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221882905 802624232 /nfs/dbraw/zinc/62/42/32/802624232.db2.gz HYBSZCAKHFSYNN-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222087508 802640403 /nfs/dbraw/zinc/64/04/03/802640403.db2.gz NJEKTUYMWIOZHN-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001223363197 802784642 /nfs/dbraw/zinc/78/46/42/802784642.db2.gz XHGWCBBSIVCOHM-INIZCTEOSA-N 2 0 313.461 2.071 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001328039304 1148705497 /nfs/dbraw/zinc/70/54/97/1148705497.db2.gz QKIQKSFIXFSVTN-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001368410930 1148437903 /nfs/dbraw/zinc/43/79/03/1148437903.db2.gz SFDZTSAENKAMKI-SHTZXODSSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001328588966 1148813659 /nfs/dbraw/zinc/81/36/59/1148813659.db2.gz RJMLKFAZMRQZOJ-KRWDZBQOSA-N 2 0 307.482 2.075 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001328731783 1148829424 /nfs/dbraw/zinc/82/94/24/1148829424.db2.gz ABQBMKDLJKNCEO-QGZVFWFLSA-N 2 0 324.428 2.202 20 30 DEEDRP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001328796097 1148835854 /nfs/dbraw/zinc/83/58/54/1148835854.db2.gz GUFWGKGRNUGTBH-QZTJIDSGSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001328961165 1148852775 /nfs/dbraw/zinc/85/27/75/1148852775.db2.gz PZQTVIZCPONHCO-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500401002 1058750814 /nfs/dbraw/zinc/75/08/14/1058750814.db2.gz BJCUXNQWLLSSIL-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001464911655 1059229870 /nfs/dbraw/zinc/22/98/70/1059229870.db2.gz YSUQTMCABHKKIO-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](C)CC)CCC2)CC1 ZINC001502029429 1059885897 /nfs/dbraw/zinc/88/58/97/1059885897.db2.gz XQBVXJQMZPMXMK-MRXNPFEDSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001502129493 1059971306 /nfs/dbraw/zinc/97/13/06/1059971306.db2.gz GVBQRMJMFHNPBI-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001502350014 1060061697 /nfs/dbraw/zinc/06/16/97/1060061697.db2.gz LQXXCZRCIAFUPI-UHFFFAOYSA-N 2 0 312.417 2.060 20 30 DEEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001502382588 1060094813 /nfs/dbraw/zinc/09/48/13/1060094813.db2.gz VFIFUOBFRKMPEY-UHFFFAOYSA-N 2 0 315.461 2.165 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001479527699 1061495497 /nfs/dbraw/zinc/49/54/97/1061495497.db2.gz IUPYTSUADTVVGH-MSOLQXFVSA-N 2 0 321.509 2.348 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329091175 1148864589 /nfs/dbraw/zinc/86/45/89/1148864589.db2.gz RXWPSMZMNHFDTO-JKSUJKDBSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001479835596 1061868791 /nfs/dbraw/zinc/86/87/91/1061868791.db2.gz XWKCVJAOJMXHNZ-GJZGRUSLSA-N 2 0 315.889 2.440 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001479963291 1062117336 /nfs/dbraw/zinc/11/73/36/1062117336.db2.gz XYXJFKQCIBNVSA-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001480051605 1062244172 /nfs/dbraw/zinc/24/41/72/1062244172.db2.gz SQYWTLLMTWMZBP-SJORKVTESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001480140755 1062378514 /nfs/dbraw/zinc/37/85/14/1062378514.db2.gz GJKFJDVEPNCEFL-VQHPVUNQSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001506817034 1062407077 /nfs/dbraw/zinc/40/70/77/1062407077.db2.gz BUDFGVLORFXAON-XLAORIBOSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001506866718 1062453568 /nfs/dbraw/zinc/45/35/68/1062453568.db2.gz WAVNYKZIVRFVPS-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507015858 1062678651 /nfs/dbraw/zinc/67/86/51/1062678651.db2.gz OLQGICXWDLYDNW-MRXNPFEDSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480359034 1062707414 /nfs/dbraw/zinc/70/74/14/1062707414.db2.gz ZHNONDZKRAQRFU-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001480372463 1062732949 /nfs/dbraw/zinc/73/29/49/1062732949.db2.gz KWWUTZWZIXLRHV-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001480595503 1063086069 /nfs/dbraw/zinc/08/60/69/1063086069.db2.gz BPTKIZPPOSIJGU-CYBMUJFWSA-N 2 0 309.841 2.209 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001507442779 1063289125 /nfs/dbraw/zinc/28/91/25/1063289125.db2.gz JQELIPAKHMIDAU-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001508160976 1063585844 /nfs/dbraw/zinc/58/58/44/1063585844.db2.gz AIEWRHXQRWFGRV-UHFFFAOYSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001493213107 1063644438 /nfs/dbraw/zinc/64/44/38/1063644438.db2.gz HYVFFZKVFVWDCU-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256339 1063672278 /nfs/dbraw/zinc/67/22/78/1063672278.db2.gz AXKWTCJAZCXJJM-HOTGVXAUSA-N 2 0 318.465 2.146 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001493966863 1064048453 /nfs/dbraw/zinc/04/84/53/1064048453.db2.gz GHAZSZAXHWZVOE-ZWKOTPCHSA-N 2 0 321.509 2.443 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001494152261 1064143920 /nfs/dbraw/zinc/14/39/20/1064143920.db2.gz BHQOVLQMOUMUQG-QZTJIDSGSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567414217 1064187947 /nfs/dbraw/zinc/18/79/47/1064187947.db2.gz IOZFGFBGTCRVCV-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)c1ccccc1 ZINC001567660319 1064325997 /nfs/dbraw/zinc/32/59/97/1064325997.db2.gz YDXMLQXWVDOFJH-ZWKOTPCHSA-N 2 0 315.461 2.494 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567703602 1064360811 /nfs/dbraw/zinc/36/08/11/1064360811.db2.gz WXFKZHMILUOSAS-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001567732025 1064385491 /nfs/dbraw/zinc/38/54/91/1064385491.db2.gz URAKVBRAEHYLIK-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567976716 1064573780 /nfs/dbraw/zinc/57/37/80/1064573780.db2.gz IWGJDOKSJWYQGK-WMLDXEAASA-N 2 0 313.461 2.259 20 30 DEEDRP C=C[C@H](CC)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001610977602 1078093723 /nfs/dbraw/zinc/09/37/23/1078093723.db2.gz GJIXMYASDJRPLX-SJORKVTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001495081888 1064686497 /nfs/dbraw/zinc/68/64/97/1064686497.db2.gz VZLMYIMCARJJNX-QGZVFWFLSA-N 2 0 303.450 2.422 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCCC1 ZINC001568344205 1064791921 /nfs/dbraw/zinc/79/19/21/1064791921.db2.gz WXWXOGGULFYJND-KRWDZBQOSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001568393631 1064832883 /nfs/dbraw/zinc/83/28/83/1064832883.db2.gz PDDMXWHVMODACV-KRWDZBQOSA-N 2 0 321.509 2.348 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001495397278 1064880457 /nfs/dbraw/zinc/88/04/57/1064880457.db2.gz RETVFCUWAVTSCN-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001568452696 1064882641 /nfs/dbraw/zinc/88/26/41/1064882641.db2.gz IWLNBVGMGWYKOD-ZWKOTPCHSA-N 2 0 319.493 2.147 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001616633951 1078133519 /nfs/dbraw/zinc/13/35/19/1078133519.db2.gz NMVZWHBHQFOOLK-UHFFFAOYSA-N 2 0 303.450 2.261 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001568537522 1064948958 /nfs/dbraw/zinc/94/89/58/1064948958.db2.gz RZHHJJYAKPMBIW-IAGOWNOFSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001569426510 1065502925 /nfs/dbraw/zinc/50/29/25/1065502925.db2.gz UWWBOTLOYLVJPZ-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001569523410 1065568303 /nfs/dbraw/zinc/56/83/03/1065568303.db2.gz SWOHWIHWGOVPBD-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001569985651 1065862103 /nfs/dbraw/zinc/86/21/03/1065862103.db2.gz VOBJDFACMLJHIS-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001570005139 1065874057 /nfs/dbraw/zinc/87/40/57/1065874057.db2.gz MEGHQKLCNUFAQP-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001570200740 1065973038 /nfs/dbraw/zinc/97/30/38/1065973038.db2.gz GIMHUXQSLQUVJD-UHFFFAOYSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[NH+](CC)CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001570504700 1066099494 /nfs/dbraw/zinc/09/94/94/1066099494.db2.gz QAABKLYIXKKNFL-UHFFFAOYSA-N 2 0 321.509 2.302 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498488552 1066741303 /nfs/dbraw/zinc/74/13/03/1066741303.db2.gz IHIKJSKGYQJVTG-HZPDHXFCSA-N 2 0 309.498 2.415 20 30 DEEDRP C=C(Cl)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001499510908 1067241275 /nfs/dbraw/zinc/24/12/75/1067241275.db2.gz HZWZDGSAQQYAKX-CABCVRRESA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267070174 1078545430 /nfs/dbraw/zinc/54/54/30/1078545430.db2.gz JOGYYNNYTMKKPF-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001570530206 1067986620 /nfs/dbraw/zinc/98/66/20/1067986620.db2.gz GPBOWENPBAXKTQ-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267216874 1078672884 /nfs/dbraw/zinc/67/28/84/1078672884.db2.gz SJBFXFCBDPXDOH-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001571513490 1068371577 /nfs/dbraw/zinc/37/15/77/1068371577.db2.gz SNOKRALEGRDRBR-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001571549624 1068414176 /nfs/dbraw/zinc/41/41/76/1068414176.db2.gz FBXBEWJUYIKAHA-DLBZAZTESA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267267888 1078714239 /nfs/dbraw/zinc/71/42/39/1078714239.db2.gz TULGPYXNTGDKDZ-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001571639277 1068453718 /nfs/dbraw/zinc/45/37/18/1068453718.db2.gz KYBRZOHDSKVURE-DLBZAZTESA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001571645894 1068457386 /nfs/dbraw/zinc/45/73/86/1068457386.db2.gz XSXYVEYDJVQLJZ-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282702 1078729842 /nfs/dbraw/zinc/72/98/42/1078729842.db2.gz SEIQBCRPBXEESW-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267302962 1078749330 /nfs/dbraw/zinc/74/93/30/1078749330.db2.gz JCRBAVQFPINYKS-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001267334987 1078773627 /nfs/dbraw/zinc/77/36/27/1078773627.db2.gz WCQPPXVLPMNKSS-HNNXBMFYSA-N 2 0 315.889 2.297 20 30 DEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001521546936 1069251196 /nfs/dbraw/zinc/25/11/96/1069251196.db2.gz OEZWPKPPXLKUEJ-STQMWFEESA-N 2 0 305.413 2.178 20 30 DEEDRP C=CC[C@@]1(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CCC[NH2+]1 ZINC001574888474 1069286547 /nfs/dbraw/zinc/28/65/47/1069286547.db2.gz FPIKFVWSSZSPTD-SFHVURJKSA-N 2 0 319.449 2.258 20 30 DEEDRP C=CC[C@@]1(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CCC[NH2+]1 ZINC001574892350 1069288134 /nfs/dbraw/zinc/28/81/34/1069288134.db2.gz AUFBXEBRAGSFPM-TVPLGVNVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC1(C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCC1 ZINC001574901693 1069291604 /nfs/dbraw/zinc/29/16/04/1069291604.db2.gz PKLBVTWGPYQEOR-MRXNPFEDSA-N 2 0 307.482 2.300 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC001542203584 1072454071 /nfs/dbraw/zinc/45/40/71/1072454071.db2.gz MNAUUWJVMHZOEM-UHFFFAOYSA-N 2 0 308.451 2.185 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267603129 1079155616 /nfs/dbraw/zinc/15/56/16/1079155616.db2.gz MAMDAXZQRJDMJW-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCCCC)C2)CC1 ZINC001483893279 1079179444 /nfs/dbraw/zinc/17/94/44/1079179444.db2.gz NSMSPRVTSVLOQX-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001484001626 1079237114 /nfs/dbraw/zinc/23/71/14/1079237114.db2.gz QESBCDMXSGIOPH-OIISXLGYSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001566532725 1075271656 /nfs/dbraw/zinc/27/16/56/1075271656.db2.gz AIQCFRWKZMYWHN-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001566902226 1075379676 /nfs/dbraw/zinc/37/96/76/1075379676.db2.gz QMNQZFMXOZOOJU-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955381 1075398332 /nfs/dbraw/zinc/39/83/32/1075398332.db2.gz LTVMFILLBCJNTL-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567163817 1075449281 /nfs/dbraw/zinc/44/92/81/1075449281.db2.gz HWXJKHKEPZKZEM-IRXDYDNUSA-N 2 0 319.493 2.291 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001267874894 1079561014 /nfs/dbraw/zinc/56/10/14/1079561014.db2.gz ZPJYEQGZNBFZFM-MJGOQNOKSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCC[NH+](C)C)cc1 ZINC001484561576 1079661769 /nfs/dbraw/zinc/66/17/69/1079661769.db2.gz ODJCWIJFCFGKCK-INIZCTEOSA-N 2 0 315.461 2.319 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001484765766 1079792194 /nfs/dbraw/zinc/79/21/94/1079792194.db2.gz RCOWBQIDIAZMFC-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485068665 1079946353 /nfs/dbraw/zinc/94/63/53/1079946353.db2.gz GKHPDBBASORVRJ-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001485094923 1079976818 /nfs/dbraw/zinc/97/68/18/1079976818.db2.gz WQDMYECWRVUDON-UHFFFAOYSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001481521919 1079992661 /nfs/dbraw/zinc/99/26/61/1079992661.db2.gz XECYWINFAIRZHS-IRXDYDNUSA-N 2 0 319.493 2.053 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268068820 1080015880 /nfs/dbraw/zinc/01/58/80/1080015880.db2.gz OUJQFHOJWWLKLQ-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001656108943 1080047498 /nfs/dbraw/zinc/04/74/98/1080047498.db2.gz AOHYDLMOVLUHMI-IAGOWNOFSA-N 2 0 309.498 2.441 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001656229244 1080069195 /nfs/dbraw/zinc/06/91/95/1080069195.db2.gz YLTQYPLNTDQSHE-SAABIXHNSA-N 2 0 315.461 2.422 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)CCC=C)CC1 ZINC001268098995 1080071712 /nfs/dbraw/zinc/07/17/12/1080071712.db2.gz KDCQPQMCZSZFAK-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268106513 1080077823 /nfs/dbraw/zinc/07/78/23/1080077823.db2.gz UTFBLYFOHFZLEF-IAGOWNOFSA-N 2 0 307.482 2.003 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001485242488 1080091521 /nfs/dbraw/zinc/09/15/21/1080091521.db2.gz HEJMVUVJGGOFKU-UHFFFAOYSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653185 1080110440 /nfs/dbraw/zinc/11/04/40/1080110440.db2.gz WHOCMRUURDJGAF-NJAFHUGGSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001656817308 1080127701 /nfs/dbraw/zinc/12/77/01/1080127701.db2.gz AJRMOPYGJPZSKI-IXDOHACOSA-N 2 0 307.482 2.073 20 30 DEEDRP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001657075580 1080152738 /nfs/dbraw/zinc/15/27/38/1080152738.db2.gz FKLQQTSBYQFYPI-DLBZAZTESA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001268193310 1080179437 /nfs/dbraw/zinc/17/94/37/1080179437.db2.gz JWJLQNBIAPAZPV-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001268193751 1080180632 /nfs/dbraw/zinc/18/06/32/1080180632.db2.gz WYIYVGPNEFRMLW-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001268226545 1080208428 /nfs/dbraw/zinc/20/84/28/1080208428.db2.gz BGYMQWHVIBJQJN-ROUUACIJSA-N 2 0 321.509 2.251 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268286528 1080265552 /nfs/dbraw/zinc/26/55/52/1080265552.db2.gz KZVIJPOZYKZEHR-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001485540014 1080285966 /nfs/dbraw/zinc/28/59/66/1080285966.db2.gz PVDIDFAWNFFPNY-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001485658359 1080350104 /nfs/dbraw/zinc/35/01/04/1080350104.db2.gz SFDJAPGYLUMQDQ-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001661143169 1080447514 /nfs/dbraw/zinc/44/75/14/1080447514.db2.gz RROUWOKBMIHLJM-KRWDZBQOSA-N 2 0 312.417 2.317 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001661156182 1080448279 /nfs/dbraw/zinc/44/82/79/1080448279.db2.gz DNXIJIQDJFTWAF-BHYGNILZSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001661220697 1080458591 /nfs/dbraw/zinc/45/85/91/1080458591.db2.gz IZWAKXRNKKWBOK-BBWFWOEESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661221006 1080458789 /nfs/dbraw/zinc/45/87/89/1080458789.db2.gz MHEHNXVMZWHTGV-INIZCTEOSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980799 1080490291 /nfs/dbraw/zinc/49/02/91/1080490291.db2.gz BEMYXHPWAOBMTE-FGTMMUONSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661690232 1080507497 /nfs/dbraw/zinc/50/74/97/1080507497.db2.gz LPTPAGOMPFABNM-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1=CCCCC1 ZINC001268458923 1080520619 /nfs/dbraw/zinc/52/06/19/1080520619.db2.gz KXXFNLCWCJINFS-SFHVURJKSA-N 2 0 317.477 2.023 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001482018254 1080690711 /nfs/dbraw/zinc/69/07/11/1080690711.db2.gz NHVHGKFRNMCKMH-BRSBDYLESA-N 2 0 317.477 2.044 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268691317 1080937172 /nfs/dbraw/zinc/93/71/72/1080937172.db2.gz UEOFSIAGZWWYGR-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001664686802 1080942934 /nfs/dbraw/zinc/94/29/34/1080942934.db2.gz NFKXGTRKFIYIGO-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001664755816 1080955451 /nfs/dbraw/zinc/95/54/51/1080955451.db2.gz YTNRNLWHXRIHII-SJORKVTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001664807009 1080963373 /nfs/dbraw/zinc/96/33/73/1080963373.db2.gz PKEKPOLHHFNCBO-WMZOPIPTSA-N 2 0 319.493 2.075 20 30 DEEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001268742417 1080963655 /nfs/dbraw/zinc/96/36/55/1080963655.db2.gz HOUFMRNCOGONQJ-WMZOPIPTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664818267 1080966059 /nfs/dbraw/zinc/96/60/59/1080966059.db2.gz RKFXCOMRHKPMER-IRXDYDNUSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268747779 1080967065 /nfs/dbraw/zinc/96/70/65/1080967065.db2.gz UKQRYXPFYQHZAA-RHSMWYFYSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]cn1 ZINC001268947327 1081060720 /nfs/dbraw/zinc/06/07/20/1081060720.db2.gz LDEZHNHFPHBAMO-IRXDYDNUSA-N 2 0 316.449 2.374 20 30 DEEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001665822441 1081086736 /nfs/dbraw/zinc/08/67/36/1081086736.db2.gz CCFNLCXMAFGXCZ-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C#CC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001666364417 1081148189 /nfs/dbraw/zinc/14/81/89/1081148189.db2.gz QYBRGZIYXMLROF-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001269187539 1081157450 /nfs/dbraw/zinc/15/74/50/1081157450.db2.gz SKHRUDPBOGUMIK-MSOLQXFVSA-N 2 0 315.461 2.446 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001667151056 1081216925 /nfs/dbraw/zinc/21/69/25/1081216925.db2.gz JHOAYDZKKJUFGE-WBVHZDCISA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001667351605 1081241306 /nfs/dbraw/zinc/24/13/06/1081241306.db2.gz FWYYVEQTDUWNIE-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001667565522 1081263879 /nfs/dbraw/zinc/26/38/79/1081263879.db2.gz FTBKJTJSBIHHMU-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111307216 1081290870 /nfs/dbraw/zinc/29/08/70/1081290870.db2.gz CTHBDUUVNLSRDU-ZACQAIPSSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001668178846 1081324558 /nfs/dbraw/zinc/32/45/58/1081324558.db2.gz NGWHLBVPVYVKFX-HUUCEWRRSA-N 2 0 315.889 2.345 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(NC(=O)Cn2ccnc2)CCCC[C@@H]1C ZINC001269678225 1081331072 /nfs/dbraw/zinc/33/10/72/1081331072.db2.gz ZYAWCTUSZQLPMM-RDJZCZTQSA-N 2 0 304.438 2.114 20 30 DEEDRP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001270055111 1081439382 /nfs/dbraw/zinc/43/93/82/1081439382.db2.gz WASKCEAPBLRRNH-GOSISDBHSA-N 2 0 315.461 2.453 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001669710549 1081463973 /nfs/dbraw/zinc/46/39/73/1081463973.db2.gz CGDFUQKQBKMXRG-DOTOQJQBSA-N 2 0 303.450 2.350 20 30 DEEDRP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCC)CC1 ZINC001671499839 1081520287 /nfs/dbraw/zinc/52/02/87/1081520287.db2.gz KMYCYXADKGOZQL-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671887333 1081546688 /nfs/dbraw/zinc/54/66/88/1081546688.db2.gz NAZYJOCEKUDKET-HKUYNNGSSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001672242040 1081571895 /nfs/dbraw/zinc/57/18/95/1081571895.db2.gz ZGIBQVBUDLCTOA-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001672376518 1081589176 /nfs/dbraw/zinc/58/91/76/1081589176.db2.gz GDFMFCHOHQHNEB-WKILWMFISA-N 2 0 307.482 2.026 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001672983261 1081728263 /nfs/dbraw/zinc/72/82/63/1081728263.db2.gz UPJIVMTXELJUAZ-KZNAEPCWSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001673496168 1081776687 /nfs/dbraw/zinc/77/66/87/1081776687.db2.gz HXHOKUJMRFQWGS-IAGOWNOFSA-N 2 0 307.482 2.075 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001482411739 1081800576 /nfs/dbraw/zinc/80/05/76/1081800576.db2.gz AAECLBWSIKLVLM-ZWKOTPCHSA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001482428106 1081816325 /nfs/dbraw/zinc/81/63/25/1081816325.db2.gz GHSHWPQIZDDJQL-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482451249 1081889266 /nfs/dbraw/zinc/88/92/66/1081889266.db2.gz STHCWQJUKIXZIB-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+]CC1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001674566292 1081890560 /nfs/dbraw/zinc/89/05/60/1081890560.db2.gz XOGNTIFSOHKUQR-UHFFFAOYSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001482453641 1081898199 /nfs/dbraw/zinc/89/81/99/1081898199.db2.gz CDAJTCIQMHFLAL-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001271287145 1082004949 /nfs/dbraw/zinc/00/49/49/1082004949.db2.gz ZAZPXNNXOSUMDO-QZTJIDSGSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001280387910 1082013517 /nfs/dbraw/zinc/01/35/17/1082013517.db2.gz IXELASJUCXPSGK-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001271750992 1082146079 /nfs/dbraw/zinc/14/60/79/1082146079.db2.gz XIAHYFBVDCAWJX-BCDXTJNWSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001271847047 1082171326 /nfs/dbraw/zinc/17/13/26/1082171326.db2.gz YTSIFPBBSIALKK-AWEZNQCLSA-N 2 0 309.479 2.340 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001266617667 1082220885 /nfs/dbraw/zinc/22/08/85/1082220885.db2.gz SCBGIOYXXQFPQX-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266758439 1082325844 /nfs/dbraw/zinc/32/58/44/1082325844.db2.gz SUONYZZECWIFDR-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266768037 1082331829 /nfs/dbraw/zinc/33/18/29/1082331829.db2.gz WRGJPWHWNYGOAX-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001671678843 1082442916 /nfs/dbraw/zinc/44/29/16/1082442916.db2.gz PJMLYMRZOXHTHA-SFHVURJKSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001482686483 1082483954 /nfs/dbraw/zinc/48/39/54/1082483954.db2.gz WEYVUKVCPKHDJV-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482931135 1082566392 /nfs/dbraw/zinc/56/63/92/1082566392.db2.gz OUVYEUUHZCIOQH-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530802 1083469523 /nfs/dbraw/zinc/46/95/23/1083469523.db2.gz MOPWRAGWGKAVCQ-GDBMZVCRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001276741234 1083582210 /nfs/dbraw/zinc/58/22/10/1083582210.db2.gz RUROXKFZKJRTRV-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001277101855 1083776105 /nfs/dbraw/zinc/77/61/05/1083776105.db2.gz MLZZQKXXGRATLJ-HNNXBMFYSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491031785 1084020227 /nfs/dbraw/zinc/02/02/27/1084020227.db2.gz QTKNCBBOTRYLEB-GASCZTMLSA-N 2 0 307.482 2.452 20 30 DEEDRP 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 1084028060 /nfs/dbraw/zinc/02/80/60/1084028060.db2.gz ADOBUFMHVXXOCL-QUSNUVHPSA-N 2 0 307.482 2.308 20 30 DEEDRP C#CC[NH2+][C@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001277582026 1084045710 /nfs/dbraw/zinc/04/57/10/1084045710.db2.gz LAIZWKGDEJXHLT-QGZVFWFLSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCCC[NH2+]C12CC(C(=O)N3CCC([NH+](C)C)CC3)(C1)C2 ZINC001277779259 1084143875 /nfs/dbraw/zinc/14/38/75/1084143875.db2.gz DGYMAQAOOXRMHF-UHFFFAOYSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+](CCNC(=O)C[N@@H+](C)CCC)C1CCCCCC1 ZINC001670976504 1084180557 /nfs/dbraw/zinc/18/05/57/1084180557.db2.gz BBIIREFIBCMWNN-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP N#CCCC[NH+]1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001277944894 1084427497 /nfs/dbraw/zinc/42/74/97/1084427497.db2.gz FBGIRHFBJHXVNS-UHFFFAOYSA-N 2 0 315.465 2.365 20 30 DEEDRP N#CCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277947969 1084441578 /nfs/dbraw/zinc/44/15/78/1084441578.db2.gz CHSXNXAQQDOYPA-CALCHBBNSA-N 2 0 301.438 2.247 20 30 DEEDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](CCCCC#N)CC2)C1 ZINC001277951009 1084453719 /nfs/dbraw/zinc/45/37/19/1084453719.db2.gz BUWKRPHVNOVGRN-UHFFFAOYSA-N 2 0 306.498 2.420 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001078626819 1084771531 /nfs/dbraw/zinc/77/15/31/1084771531.db2.gz UXVUXPSWGRWMRO-JKSUJKDBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001078664022 1084798950 /nfs/dbraw/zinc/79/89/50/1084798950.db2.gz XPEHVVYHSDXIDA-IRXDYDNUSA-N 2 0 324.428 2.459 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001078757174 1084850564 /nfs/dbraw/zinc/85/05/64/1084850564.db2.gz QBSCGVGBSSHQCY-SJORKVTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001486166797 1085101672 /nfs/dbraw/zinc/10/16/72/1085101672.db2.gz NLQCKFTUVRDLJJ-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP 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 1085918683 /nfs/dbraw/zinc/91/86/83/1085918683.db2.gz XDAAJGZZWJGUGK-XDNAFOTISA-N 2 0 319.493 2.262 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000963800037 1086560941 /nfs/dbraw/zinc/56/09/41/1086560941.db2.gz CLGGZXAFLZHQDU-DKVCYUOUSA-N 2 0 317.477 2.064 20 30 DEEDRP C=CCNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001273144417 1086769442 /nfs/dbraw/zinc/76/94/42/1086769442.db2.gz PURZOACARBVLOD-KRWDZBQOSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CN1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273144851 1086816915 /nfs/dbraw/zinc/81/69/15/1086816915.db2.gz SXDPJZUPOLNFSR-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001079805102 1088425642 /nfs/dbraw/zinc/42/56/42/1088425642.db2.gz JAFMQSNCNDYEJX-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001273205400 1090004890 /nfs/dbraw/zinc/00/48/90/1090004890.db2.gz ZZOXGMVMNPDGGH-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943965 1090109637 /nfs/dbraw/zinc/10/96/37/1090109637.db2.gz VOFSNUVOWAXLEQ-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851242 1090474474 /nfs/dbraw/zinc/47/44/74/1090474474.db2.gz SZGWADLWEINPCV-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084963443 1090547505 /nfs/dbraw/zinc/54/75/05/1090547505.db2.gz VHHUBUDXRHUVEP-SQNIBIBYSA-N 2 0 319.493 2.360 20 30 DEEDRP 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 1090550237 /nfs/dbraw/zinc/55/02/37/1090550237.db2.gz XWPONLITMAPBIX-IKGGRYGDSA-N 2 0 307.482 2.072 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084977852 1090556791 /nfs/dbraw/zinc/55/67/91/1090556791.db2.gz IOUIGSZKKMJLOS-KURKYZTESA-N 2 0 319.493 2.216 20 30 DEEDRP 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 1090600066 /nfs/dbraw/zinc/60/00/66/1090600066.db2.gz GOMXVLLZNAIQOM-FGTMMUONSA-N 2 0 321.509 2.462 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001410499646 1091017285 /nfs/dbraw/zinc/01/72/85/1091017285.db2.gz FUVHPTFCOILFFE-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001274269847 1091159194 /nfs/dbraw/zinc/15/91/94/1091159194.db2.gz OKBTWQMZESKEPV-IAGOWNOFSA-N 2 0 310.401 2.314 20 30 DEEDRP C=CCCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276043107 1091474141 /nfs/dbraw/zinc/47/41/41/1091474141.db2.gz TUTOTQMKSBOQOA-MOPGFXCFSA-N 2 0 323.525 2.460 20 30 DEEDRP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001276123849 1091567054 /nfs/dbraw/zinc/56/70/54/1091567054.db2.gz YTIGULLYDPOTHR-ZWKOTPCHSA-N 2 0 321.509 2.367 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001276237643 1091728868 /nfs/dbraw/zinc/72/88/68/1091728868.db2.gz RVOAPVOVECKPOY-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490311475 1093302961 /nfs/dbraw/zinc/30/29/61/1093302961.db2.gz XMHNQDWXGFFXQE-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001490595640 1093435867 /nfs/dbraw/zinc/43/58/67/1093435867.db2.gz PIDKWIWTYKRYNX-HOTGVXAUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCc1cccc(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236924326 1138457601 /nfs/dbraw/zinc/45/76/01/1138457601.db2.gz QJVNGIREBYEPDO-GOSISDBHSA-N 2 0 317.477 2.236 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001491734567 1140290966 /nfs/dbraw/zinc/29/09/66/1140290966.db2.gz DZOXJYLXAMLZAN-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001319021198 1140491680 /nfs/dbraw/zinc/49/16/80/1140491680.db2.gz UWPWTGKWDSMRBH-HZPDHXFCSA-N 2 0 316.449 2.308 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001319659893 1140646992 /nfs/dbraw/zinc/64/69/92/1140646992.db2.gz OPABEXYZHWIJSF-RDJZCZTQSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001319943772 1140805620 /nfs/dbraw/zinc/80/56/20/1140805620.db2.gz LMVRGHWZWSJJPN-RDJZCZTQSA-N 2 0 309.498 2.413 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]CCCCN1CC[NH2+]CC1 ZINC001245973940 1140840065 /nfs/dbraw/zinc/84/00/65/1140840065.db2.gz LRHNIRVOAZSSMT-SFHVURJKSA-N 2 0 313.530 2.373 20 30 DEEDRP C[C@H]1C[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246316784 1140883604 /nfs/dbraw/zinc/88/36/04/1140883604.db2.gz UDEPMJCLAJRINN-WMZOPIPTSA-N 2 0 312.461 2.275 20 30 DEEDRP C[C@@H]1CC[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246318262 1140883664 /nfs/dbraw/zinc/88/36/64/1140883664.db2.gz ZQWPXTOKYKTVCY-SJLPKXTDSA-N 2 0 312.461 2.275 20 30 DEEDRP N#Cc1ccc(C[N@H+](C2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246440939 1140899382 /nfs/dbraw/zinc/89/93/82/1140899382.db2.gz GPLUDDLGSBHXNM-IYARVYRRSA-N 3 0 312.461 2.382 20 30 DEEDRP C=CCCC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278449693 1140914859 /nfs/dbraw/zinc/91/48/59/1140914859.db2.gz HAZSONCIHCYFSA-SFHVURJKSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708572 1141040117 /nfs/dbraw/zinc/04/01/17/1141040117.db2.gz QETFJXALKFQBKP-RZRMAFQFSA-N 2 0 317.477 2.303 20 30 DEEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723999 1141047019 /nfs/dbraw/zinc/04/70/19/1141047019.db2.gz SVQGRYIISBQRIB-VUXNLXKLSA-N 2 0 320.477 2.343 20 30 DEEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCCSC3)cc2)CC1 ZINC001353100995 1151810350 /nfs/dbraw/zinc/81/03/50/1151810350.db2.gz GOIXOTBHXZDNGR-MRXNPFEDSA-N 2 0 318.490 2.258 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001323287749 1141837647 /nfs/dbraw/zinc/83/76/47/1141837647.db2.gz UHIDDWFEUBTWHA-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001323642354 1141873050 /nfs/dbraw/zinc/87/30/50/1141873050.db2.gz MGRBFFKOKDPHAU-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001324376357 1142066425 /nfs/dbraw/zinc/06/64/25/1142066425.db2.gz FCEMHSIXCDEXFE-WMZOPIPTSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001324470900 1142083812 /nfs/dbraw/zinc/08/38/12/1142083812.db2.gz TXWAOXADEZVQBL-ZWKOTPCHSA-N 2 0 319.493 2.147 20 30 DEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324556754 1142099083 /nfs/dbraw/zinc/09/90/83/1142099083.db2.gz LLBSSEJJTLDFEX-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP C#CCC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001278611344 1142345346 /nfs/dbraw/zinc/34/53/46/1142345346.db2.gz WKIUXHZSGSQLIH-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001252483204 1142731452 /nfs/dbraw/zinc/73/14/52/1142731452.db2.gz RLVWGWOJPQRXNW-RBUKOAKNSA-N 2 0 318.461 2.052 20 30 DEEDRP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001278693562 1142840365 /nfs/dbraw/zinc/84/03/65/1142840365.db2.gz MXZBMUSGIOVFAW-SFHVURJKSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001278907964 1143826399 /nfs/dbraw/zinc/82/63/99/1143826399.db2.gz KZTXEBBXHORFBI-DLBZAZTESA-N 2 0 309.498 2.462 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@H]1CC[NH2+]C1)C(C)C ZINC001262093061 1144289707 /nfs/dbraw/zinc/28/97/07/1144289707.db2.gz QKXPGVDYBPBJDQ-DLBZAZTESA-N 2 0 322.497 2.078 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001263865572 1144415666 /nfs/dbraw/zinc/41/56/66/1144415666.db2.gz NFSRDIUDAZBNCG-BRWVUGGUSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001263917281 1144423348 /nfs/dbraw/zinc/42/33/48/1144423348.db2.gz YTAGUXBXHWKEHL-RCCFBDPRSA-N 2 0 319.493 2.006 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CCC)CC1 ZINC001264187182 1144501559 /nfs/dbraw/zinc/50/15/59/1144501559.db2.gz IMJVPOVOBQSKMR-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001264549920 1144564189 /nfs/dbraw/zinc/56/41/89/1144564189.db2.gz WJZFXSVNIYCDIH-IKGGRYGDSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001265306046 1144689277 /nfs/dbraw/zinc/68/92/77/1144689277.db2.gz ISTGIHVYJHMEHE-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265540321 1144710468 /nfs/dbraw/zinc/71/04/68/1144710468.db2.gz NACJWDPFAYITBD-ZOFXXKQRSA-N 2 0 307.482 2.308 20 30 DEEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001265656283 1144723699 /nfs/dbraw/zinc/72/36/99/1144723699.db2.gz ZHJKIMXRVMLGNQ-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001265670285 1144725258 /nfs/dbraw/zinc/72/52/58/1144725258.db2.gz MXQZGNSEDOFRRI-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265696834 1144729760 /nfs/dbraw/zinc/72/97/60/1144729760.db2.gz KIZICMVFXGNTJG-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265913946 1144756478 /nfs/dbraw/zinc/75/64/78/1144756478.db2.gz ABSOIRQVLDCMRB-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266067305 1144802187 /nfs/dbraw/zinc/80/21/87/1144802187.db2.gz KTESAJSXGAIDAS-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001266183871 1144812225 /nfs/dbraw/zinc/81/22/25/1144812225.db2.gz UFLPEJONTSWTGE-MRXNPFEDSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001279127060 1144818715 /nfs/dbraw/zinc/81/87/15/1144818715.db2.gz WMQRXNYEYYDFOU-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001279368053 1144821363 /nfs/dbraw/zinc/82/13/63/1144821363.db2.gz GJYHQTCWUAISET-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP 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 1144822115 /nfs/dbraw/zinc/82/21/15/1144822115.db2.gz ZIAUOTCASMFMJZ-WNRNVDISSA-N 2 0 321.509 2.318 20 30 DEEDRP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001280354304 1144836296 /nfs/dbraw/zinc/83/62/96/1144836296.db2.gz MSLOHPRVEIPNMS-QAPCUYQASA-N 2 0 313.445 2.071 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001280374200 1144837243 /nfs/dbraw/zinc/83/72/43/1144837243.db2.gz OHRCKBKMIFEPRO-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001281684658 1144907329 /nfs/dbraw/zinc/90/73/29/1144907329.db2.gz VDELDPLJAUJMPC-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001281931968 1144921001 /nfs/dbraw/zinc/92/10/01/1144921001.db2.gz HEZYXBVAWFGNBY-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[N@H+]1CCCC2(CN(C(=O)Cn3cncc3C)C2)C1 ZINC001282966011 1145218076 /nfs/dbraw/zinc/21/80/76/1145218076.db2.gz CXKMZFGCNHQUFZ-UHFFFAOYSA-N 2 0 316.449 2.082 20 30 DEEDRP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001283191093 1145309784 /nfs/dbraw/zinc/30/97/84/1145309784.db2.gz HTAMEEUSYIDEHT-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H]1C ZINC001284130211 1145804717 /nfs/dbraw/zinc/80/47/17/1145804717.db2.gz GUCRGMQPMLTMDS-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001491933848 1147006206 /nfs/dbraw/zinc/00/62/06/1147006206.db2.gz RYHSPLKVFRWVBP-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001316690046 1147319154 /nfs/dbraw/zinc/31/91/54/1147319154.db2.gz ZMHAUWOBDHOBOH-ZFWWWQNUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316983641 1147643821 /nfs/dbraw/zinc/64/38/21/1147643821.db2.gz TZAXUKAGQDCKBU-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001317024053 1147649607 /nfs/dbraw/zinc/64/96/07/1147649607.db2.gz CYGNSUGGWCGNTK-IRXDYDNUSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001317204093 1147676006 /nfs/dbraw/zinc/67/60/06/1147676006.db2.gz ATKTUXHJPYFZLA-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001317218857 1147678925 /nfs/dbraw/zinc/67/89/25/1147678925.db2.gz YEMHDSOSULOSNR-RDHHWEPZSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317359760 1147695816 /nfs/dbraw/zinc/69/58/16/1147695816.db2.gz OVVWWUFUSHHFER-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317376191 1147698904 /nfs/dbraw/zinc/69/89/04/1147698904.db2.gz NHRMBHVQVCRDTF-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317376516 1147699008 /nfs/dbraw/zinc/69/90/08/1147699008.db2.gz PQFGQMGEKQDLBH-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317382535 1147700000 /nfs/dbraw/zinc/70/00/00/1147700000.db2.gz YOCGYGXBQQHPCF-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317402093 1147702052 /nfs/dbraw/zinc/70/20/52/1147702052.db2.gz SZDSFSPGZWUEOT-INIZCTEOSA-N 2 0 307.482 2.006 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317509298 1147717842 /nfs/dbraw/zinc/71/78/42/1147717842.db2.gz HTUVVFBDEVIOQJ-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001317869868 1147759401 /nfs/dbraw/zinc/75/94/01/1147759401.db2.gz ZKHCYQUIRGHKIS-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001317879929 1147760054 /nfs/dbraw/zinc/76/00/54/1147760054.db2.gz NJGGQZXDASTGPT-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001317882797 1147760321 /nfs/dbraw/zinc/76/03/21/1147760321.db2.gz TVLPKOGLABGXGJ-SFHVURJKSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001324831203 1147850914 /nfs/dbraw/zinc/85/09/14/1147850914.db2.gz CELVGLDIUMEYKZ-GOSISDBHSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001324897599 1147856502 /nfs/dbraw/zinc/85/65/02/1147856502.db2.gz PGKMJIJAVIBPKO-INIZCTEOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001324943366 1147860507 /nfs/dbraw/zinc/86/05/07/1147860507.db2.gz GWVDSKOZPULWNP-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CC1 ZINC000068105073 354797717 /nfs/dbraw/zinc/79/77/17/354797717.db2.gz JOAVERWMZYQMSA-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181500646 356083697 /nfs/dbraw/zinc/08/36/97/356083697.db2.gz PPIXBTVNCCDQMA-JKSUJKDBSA-N 2 0 300.450 2.235 20 30 DEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000591573422 357736361 /nfs/dbraw/zinc/73/63/61/357736361.db2.gz VCOYEHUPRJQMNZ-DJIMGWMZSA-N 2 0 319.836 2.458 20 30 DEEDRP C[C@H]1C[C@@H](C[NH+]2CCN(c3ccsc3C#N)CC2)CC[NH2+]1 ZINC000594735711 358328931 /nfs/dbraw/zinc/32/89/31/358328931.db2.gz NKNHOODBZYYPMF-KBPBESRZSA-N 2 0 304.463 2.130 20 30 DEEDRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000282497296 217041886 /nfs/dbraw/zinc/04/18/86/217041886.db2.gz XWQAODWIYJCCJA-OAHLLOKOSA-N 2 0 300.450 2.235 20 30 DEEDRP C#CCOc1ccccc1C[NH2+]C[C@H](CC[NH+](C)C)OCC ZINC000267847699 206301136 /nfs/dbraw/zinc/30/11/36/206301136.db2.gz DLUTXKVATFDRAG-KRWDZBQOSA-N 2 0 304.434 2.145 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000106271730 194193449 /nfs/dbraw/zinc/19/34/49/194193449.db2.gz YLRIQUDSEBNEHO-OAHLLOKOSA-N 2 0 310.486 2.056 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000158498884 197278070 /nfs/dbraw/zinc/27/80/70/197278070.db2.gz SUXUUVQLJLWRTH-UHFFFAOYSA-N 2 0 310.486 2.009 20 30 DEEDRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424154382 533323669 /nfs/dbraw/zinc/32/36/69/533323669.db2.gz LSFWELCAKWTGPE-ZBFHGGJFSA-N 2 0 316.449 2.253 20 30 DEEDRP C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626219 133337778 /nfs/dbraw/zinc/33/77/78/133337778.db2.gz MBBYGAALUVBOET-OAHLLOKOSA-N 2 0 318.490 2.220 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000123694432 402141884 /nfs/dbraw/zinc/14/18/84/402141884.db2.gz OHBQFFHKRZXVLT-GFCCVEGCSA-N 2 0 309.483 2.155 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000106338950 402213422 /nfs/dbraw/zinc/21/34/22/402213422.db2.gz APAXTEZYYMADNN-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000191396447 402666202 /nfs/dbraw/zinc/66/62/02/402666202.db2.gz RJGJWFROGAWMHO-UHFFFAOYSA-N 2 0 314.477 2.406 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)N1 ZINC000262635718 402728749 /nfs/dbraw/zinc/72/87/49/402728749.db2.gz GTAYNNCRUPKYRE-HUUCEWRRSA-N 2 0 300.450 2.356 20 30 DEEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000271908215 402885234 /nfs/dbraw/zinc/88/52/34/402885234.db2.gz XFWZYIVHFSQCRH-MAUKXSAKSA-N 2 0 301.434 2.446 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276500202 403181442 /nfs/dbraw/zinc/18/14/42/403181442.db2.gz WDKZGAUVNIORFW-FUHWJXTLSA-N 2 0 315.461 2.274 20 30 DEEDRP C=CCN(Cc1cccs1)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000346315511 403583922 /nfs/dbraw/zinc/58/39/22/403583922.db2.gz SRFQRNYRLYCAGW-OAHLLOKOSA-N 2 0 321.490 2.289 20 30 DEEDRP CC(C)=CCON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000288672804 403761913 /nfs/dbraw/zinc/76/19/13/403761913.db2.gz SDVZACUETKDDKY-UHFFFAOYSA-N 2 0 317.433 2.246 20 30 DEEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000343941394 403801949 /nfs/dbraw/zinc/80/19/49/403801949.db2.gz SYEXRQCNRHSVFI-GDBMZVCRSA-N 2 0 302.422 2.194 20 30 DEEDRP CCCC(N)=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289405495 403947487 /nfs/dbraw/zinc/94/74/87/403947487.db2.gz ORPAJPLCIWWKFQ-INIZCTEOSA-N 2 0 305.422 2.366 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351902678 403996702 /nfs/dbraw/zinc/99/67/02/403996702.db2.gz VRFLCFBPMDPCAE-OAHLLOKOSA-N 2 0 322.497 2.009 20 30 DEEDRP C=CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290636050 404250671 /nfs/dbraw/zinc/25/06/71/404250671.db2.gz LQUNQQUXMWZSEV-KRWDZBQOSA-N 2 0 300.450 2.379 20 30 DEEDRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCCC(C)(C)C#N)CC2)C1 ZINC000364353873 404363479 /nfs/dbraw/zinc/36/34/79/404363479.db2.gz NKKGRGMWASYHEA-KRWDZBQOSA-N 2 0 306.498 2.418 20 30 DEEDRP Cc1ncc2n1CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000329784019 404451444 /nfs/dbraw/zinc/45/14/44/404451444.db2.gz OYWIJPJYANZTLU-KGLIPLIRSA-N 2 0 302.422 2.195 20 30 DEEDRP N#C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414305924 404570427 /nfs/dbraw/zinc/57/04/27/404570427.db2.gz NUVCVERDCLLQBM-ROUUACIJSA-N 2 0 313.445 2.295 20 30 DEEDRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000291965310 404602593 /nfs/dbraw/zinc/60/25/93/404602593.db2.gz SCNJGXLKJDUKMU-NSHDSACASA-N 2 0 316.371 2.307 20 30 DEEDRP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414777524 404732660 /nfs/dbraw/zinc/73/26/60/404732660.db2.gz FUUZAVSEJFAXJF-QGZVFWFLSA-N 2 0 316.445 2.439 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCC)CC1 ZINC000357753984 404743081 /nfs/dbraw/zinc/74/30/81/404743081.db2.gz YBHVYEUTVYVRBV-INIZCTEOSA-N 2 0 324.513 2.447 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000358773651 404775355 /nfs/dbraw/zinc/77/53/55/404775355.db2.gz KEMGSTYHZXDLRB-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000435760453 405011916 /nfs/dbraw/zinc/01/19/16/405011916.db2.gz CAMPXXMLSSPWIO-FUHWJXTLSA-N 2 0 318.461 2.038 20 30 DEEDRP C[NH+](C)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424171045 405028109 /nfs/dbraw/zinc/02/81/09/405028109.db2.gz IRQVPSDHTXWELW-CABCVRRESA-N 2 0 322.840 2.080 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415974866 404990659 /nfs/dbraw/zinc/99/06/59/404990659.db2.gz RVJRBDTXKNFFAA-UHFFFAOYSA-N 2 0 302.422 2.178 20 30 DEEDRP C[NH2+]Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000415977421 404992138 /nfs/dbraw/zinc/99/21/38/404992138.db2.gz YDIOUIIGEVQBFV-UHFFFAOYSA-N 2 0 317.437 2.105 20 30 DEEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC1=[NH+]CCN1C ZINC000262676681 225281576 /nfs/dbraw/zinc/28/15/76/225281576.db2.gz UFSYVSCHQXIXDJ-HNNXBMFYSA-N 2 0 300.450 2.452 20 30 DEEDRP C=CC[C@]1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694696 425714499 /nfs/dbraw/zinc/71/44/99/425714499.db2.gz BGYOJQGKEYPIAY-CRAIPNDOSA-N 2 0 307.482 2.311 20 30 DEEDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000118532884 276387697 /nfs/dbraw/zinc/38/76/97/276387697.db2.gz BKNYTWVBMMXLFW-LPHOPBHVSA-N 2 0 312.461 2.331 20 30 DEEDRP COCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000264080590 277218461 /nfs/dbraw/zinc/21/84/61/277218461.db2.gz IGKKHQGGSRNVBW-HNNXBMFYSA-N 2 0 318.465 2.112 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)C(C)C ZINC000417062326 277848397 /nfs/dbraw/zinc/84/83/97/277848397.db2.gz LVEKCQUIUYMFLB-JCYILVPMSA-N 2 0 322.497 2.254 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C(C)C ZINC000180989458 277849696 /nfs/dbraw/zinc/84/96/96/277849696.db2.gz LGHPEGYVZSPVIQ-WMZOPIPTSA-N 2 0 307.482 2.333 20 30 DEEDRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278668050 280966772 /nfs/dbraw/zinc/96/67/72/280966772.db2.gz JBPUIWQBIDVERF-QAPCUYQASA-N 2 0 300.450 2.235 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC001088955247 782077211 /nfs/dbraw/zinc/07/72/11/782077211.db2.gz ZLPMRVBXXJQJEC-PBHICJAKSA-N 2 0 310.401 2.251 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971131 782089235 /nfs/dbraw/zinc/08/92/35/782089235.db2.gz DMDZTXZAKLBEGG-QAPCUYQASA-N 2 0 319.493 2.264 20 30 DEEDRP N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)c(F)c1 ZINC000583078912 337236598 /nfs/dbraw/zinc/23/65/98/337236598.db2.gz ZGRZJDIYZVDLOS-JKSUJKDBSA-N 2 0 316.424 2.398 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001378392340 1152314823 /nfs/dbraw/zinc/31/48/23/1152314823.db2.gz RMVWZIWLKANCBJ-HNNXBMFYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C1 ZINC001330210362 1149070289 /nfs/dbraw/zinc/07/02/89/1149070289.db2.gz OWJIPVVOXPEJGF-INIZCTEOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001401240676 1161901809 /nfs/dbraw/zinc/90/18/09/1161901809.db2.gz MDBYNBLMIWSCCJ-CYBMUJFWSA-N 2 0 301.862 2.050 20 30 DEEDRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422980165 533873310 /nfs/dbraw/zinc/87/33/10/533873310.db2.gz OQZCEKLBEMKNEL-UKRRQHHQSA-N 2 0 304.413 2.383 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000170908888 534074918 /nfs/dbraw/zinc/07/49/18/534074918.db2.gz LWDXPBLMMLHAHH-HNNXBMFYSA-N 2 0 318.465 2.222 20 30 DEEDRP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000442781328 534755905 /nfs/dbraw/zinc/75/59/05/534755905.db2.gz ILPFNJUDWVXIMA-ZWKOTPCHSA-N 2 0 313.445 2.425 20 30 DEEDRP C[NH+]=C(NCc1sc(C)nc1C)NC1CC[NH+](C(C)C)CC1 ZINC000262459627 526393683 /nfs/dbraw/zinc/39/36/83/526393683.db2.gz VFCQTUWUQWRGRY-UHFFFAOYSA-N 2 0 323.510 2.298 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000337638160 526591327 /nfs/dbraw/zinc/59/13/27/526591327.db2.gz DFDCDCKPHUOBMB-MRXNPFEDSA-N 2 0 322.497 2.058 20 30 DEEDRP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC000262231525 527195090 /nfs/dbraw/zinc/19/50/90/527195090.db2.gz ABOFHKGELCKRBL-JKSUJKDBSA-N 2 0 318.852 2.403 20 30 DEEDRP CC[NH+]=C(NCCNc1cc[nH+]cc1)N1CCSC(C)(C)C1 ZINC000261770292 528806976 /nfs/dbraw/zinc/80/69/76/528806976.db2.gz DPKUNOINHIVBOX-UHFFFAOYSA-N 2 0 321.494 2.286 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC ZINC000264109268 529073694 /nfs/dbraw/zinc/07/36/94/529073694.db2.gz QFVPNOPMPWXZIC-CQSZACIVSA-N 2 0 324.856 2.237 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)s1 ZINC000264114837 529074996 /nfs/dbraw/zinc/07/49/96/529074996.db2.gz SBYHWBQKBNKDOQ-LLVKDONJSA-N 2 0 314.886 2.333 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000449745255 535674635 /nfs/dbraw/zinc/67/46/35/535674635.db2.gz MEWKLQZSKWSBLD-UHFFFAOYSA-N 2 0 314.477 2.372 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001327541012 1148582235 /nfs/dbraw/zinc/58/22/35/1148582235.db2.gz LVPXDCGCSYBWQB-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001327883362 1148667332 /nfs/dbraw/zinc/66/73/32/1148667332.db2.gz TWDVJUNFANPTBT-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001027648519 634383213 /nfs/dbraw/zinc/38/32/13/634383213.db2.gz XAWNKAWIMHHPRT-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001026391106 625401108 /nfs/dbraw/zinc/40/11/08/625401108.db2.gz BRVBETZBSUAIJR-RCCFBDPRSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326398 623403233 /nfs/dbraw/zinc/40/32/33/623403233.db2.gz RMMKRMOEEBJKKU-CRAIPNDOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719959 623641875 /nfs/dbraw/zinc/64/18/75/623641875.db2.gz XNMFBHDLQJMMFN-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001022588072 624763885 /nfs/dbraw/zinc/76/38/85/624763885.db2.gz CILBHKVFFZYGAG-HLLBOEOZSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972479151 625114009 /nfs/dbraw/zinc/11/40/09/625114009.db2.gz RYAMQONVJSVFMG-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022975403 625122831 /nfs/dbraw/zinc/12/28/31/625122831.db2.gz KWBCOUCJIPSCFL-KBXIAJHMSA-N 2 0 313.873 2.096 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972551097 625230645 /nfs/dbraw/zinc/23/06/45/625230645.db2.gz GFQLCCRKIPMCGK-KRWDZBQOSA-N 2 0 301.434 2.081 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023411007 625258320 /nfs/dbraw/zinc/25/83/20/625258320.db2.gz YUUUYGWVYVLPAF-MSOLQXFVSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027692364 634446703 /nfs/dbraw/zinc/44/67/03/634446703.db2.gz GUMNMOANBSCKLZ-KRWDZBQOSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455924 625277743 /nfs/dbraw/zinc/27/77/43/625277743.db2.gz UGHSWEDUIWCLEW-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521056 625841847 /nfs/dbraw/zinc/84/18/47/625841847.db2.gz OJLLWWCRTLROCK-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024613947 625930325 /nfs/dbraw/zinc/93/03/25/625930325.db2.gz DVBXVRFCADQDSP-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999162815 634502948 /nfs/dbraw/zinc/50/29/48/634502948.db2.gz MIWUPYXJDGHPSN-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999351104 634569846 /nfs/dbraw/zinc/56/98/46/634569846.db2.gz CKHULEDUWXGAOB-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000999878063 634698404 /nfs/dbraw/zinc/69/84/04/634698404.db2.gz YSDBNQIQOSLXPB-UHFFFAOYSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1(C)C ZINC000995888359 633137786 /nfs/dbraw/zinc/13/77/86/633137786.db2.gz XDAVLJHBIVDRPF-IRXDYDNUSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974649486 633207153 /nfs/dbraw/zinc/20/71/53/633207153.db2.gz GVVKJKSLMIXKTJ-IAGOWNOFSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974762510 633295992 /nfs/dbraw/zinc/29/59/92/633295992.db2.gz ZTVRPSMOKBKNRO-HOTGVXAUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975115898 633426058 /nfs/dbraw/zinc/42/60/58/633426058.db2.gz ZTIHJQNPGPAIEW-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996901898 633518467 /nfs/dbraw/zinc/51/84/67/633518467.db2.gz BPANRELUUXOTER-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473154 633855951 /nfs/dbraw/zinc/85/59/51/633855951.db2.gz GECMPMQGYOQGRR-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977420409 633978573 /nfs/dbraw/zinc/97/85/73/633978573.db2.gz ITGQVMDVRJCOJK-INIZCTEOSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998102777 634140368 /nfs/dbraw/zinc/14/03/68/634140368.db2.gz OHRVTIQAQSANOI-MSOLQXFVSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998187179 634162949 /nfs/dbraw/zinc/16/29/49/634162949.db2.gz DSCIQBBMSIRNRK-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP 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 634226548 /nfs/dbraw/zinc/22/65/48/634226548.db2.gz RLXHZIHSFODCIU-ZJPYXAASSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244786 634909307 /nfs/dbraw/zinc/90/93/07/634909307.db2.gz YXRBJMDHFWPJDC-OKZBNKHCSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925248 634980200 /nfs/dbraw/zinc/98/02/00/634980200.db2.gz QIWMGVOPAWWSSO-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001000704205 635281323 /nfs/dbraw/zinc/28/13/23/635281323.db2.gz BMNPTFOLATZKSR-DLBZAZTESA-N 2 0 305.466 2.041 20 30 DEEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000981122909 635324763 /nfs/dbraw/zinc/32/47/63/635324763.db2.gz OTJWWARBHJMLBU-LSDHHAIUSA-N 2 0 319.474 2.074 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001006544 635377390 /nfs/dbraw/zinc/37/73/90/635377390.db2.gz IKCSUGBDUQBKRJ-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001006541 635377586 /nfs/dbraw/zinc/37/75/86/635377586.db2.gz IKCSUGBDUQBKRJ-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001001010395 635378504 /nfs/dbraw/zinc/37/85/04/635378504.db2.gz TUYVVFHDOPBMHJ-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001001565856 635527890 /nfs/dbraw/zinc/52/78/90/635527890.db2.gz UAHUPDOMMXXSPM-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001923962 635578118 /nfs/dbraw/zinc/57/81/18/635578118.db2.gz JKRZEDZCYKMZGE-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000981964617 635774254 /nfs/dbraw/zinc/77/42/54/635774254.db2.gz LOLNYEURBQHTEJ-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982083115 635855325 /nfs/dbraw/zinc/85/53/25/635855325.db2.gz DTZLJMKKPCGWBH-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230717 635925405 /nfs/dbraw/zinc/92/54/05/635925405.db2.gz QRSBESZDGNNNLG-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275934 635935565 /nfs/dbraw/zinc/93/55/65/635935565.db2.gz MWGAOLZZAWEUHM-YTQUADARSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776070 636051865 /nfs/dbraw/zinc/05/18/65/636051865.db2.gz HJVMGZZQEOIRNP-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028333039 636133607 /nfs/dbraw/zinc/13/36/07/636133607.db2.gz IGLXXYGZEOQQSG-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000922384561 636151169 /nfs/dbraw/zinc/15/11/69/636151169.db2.gz DFXUSAMUWSPCJC-NCOADZHNSA-N 2 0 319.474 2.189 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552161 636337506 /nfs/dbraw/zinc/33/75/06/636337506.db2.gz IDHAYPIYLPGXMY-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845382 636784427 /nfs/dbraw/zinc/78/44/27/636784427.db2.gz JWGQBSLRBMGLID-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006233678 637290307 /nfs/dbraw/zinc/29/03/07/637290307.db2.gz YQQQHDGMBPGULX-UHFFFAOYSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000985682979 639582757 /nfs/dbraw/zinc/58/27/57/639582757.db2.gz PBDZRNURBGRRQS-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000985750501 639614812 /nfs/dbraw/zinc/61/48/12/639614812.db2.gz GJVYZYTZZIPVGD-CQSZACIVSA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000985801225 639642293 /nfs/dbraw/zinc/64/22/93/639642293.db2.gz BDDFVNJWCBVYBP-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CCN1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192261 639797055 /nfs/dbraw/zinc/79/70/55/639797055.db2.gz DXTYUCYICQRTHW-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000987252272 640143041 /nfs/dbraw/zinc/14/30/41/640143041.db2.gz DSANPSOUIBMUBU-HUUCEWRRSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000987288501 640157445 /nfs/dbraw/zinc/15/74/45/640157445.db2.gz BKIQPQHJMQSPHS-NVXWUHKLSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000763928754 640585822 /nfs/dbraw/zinc/58/58/22/640585822.db2.gz WVDRZJMKCAIPFF-HNNXBMFYSA-N 2 0 305.422 2.041 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000764579088 640657737 /nfs/dbraw/zinc/65/77/37/640657737.db2.gz ULODRSGAVLGLDE-SFHVURJKSA-N 2 0 315.461 2.085 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989078551 640718353 /nfs/dbraw/zinc/71/83/53/640718353.db2.gz VGACQHMMDBFTKO-ZFWWWQNUSA-N 2 0 312.417 2.411 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989451706 641011499 /nfs/dbraw/zinc/01/14/99/641011499.db2.gz LNGZYGQUISFRMJ-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989521093 641136274 /nfs/dbraw/zinc/13/62/74/641136274.db2.gz CNNFHTCJGHRTDE-ZFWWWQNUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000989634339 641174392 /nfs/dbraw/zinc/17/43/92/641174392.db2.gz BKHYHGHEHNFKHN-HOCLYGCPSA-N 2 0 310.401 2.251 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000900013955 642237170 /nfs/dbraw/zinc/23/71/70/642237170.db2.gz SSXJNYFFFNTLKB-GOSISDBHSA-N 2 0 315.461 2.448 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000900406453 642359679 /nfs/dbraw/zinc/35/96/79/642359679.db2.gz QJJPRJZOAOTERL-QGZVFWFLSA-N 2 0 303.450 2.222 20 30 DEEDRP C#CCC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000787380924 643488752 /nfs/dbraw/zinc/48/87/52/643488752.db2.gz ICKDFSCUNAIKRN-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000788202634 643576895 /nfs/dbraw/zinc/57/68/95/643576895.db2.gz GJJLOYIDSKNFNV-OAHLLOKOSA-N 2 0 306.450 2.138 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775712 646626782 /nfs/dbraw/zinc/62/67/82/646626782.db2.gz PCUPNPNQGDTURM-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000992715135 647194403 /nfs/dbraw/zinc/19/44/03/647194403.db2.gz RRRMNOJMTPJUQF-KBAYOESNSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC000992779685 647243222 /nfs/dbraw/zinc/24/32/22/647243222.db2.gz RKJXSHVIQAAFGV-BRWVUGGUSA-N 2 0 319.493 2.264 20 30 DEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818985845 647557994 /nfs/dbraw/zinc/55/79/94/647557994.db2.gz XZQZRUYBZMYWNY-FUHWJXTLSA-N 2 0 301.434 2.302 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993922582 647766895 /nfs/dbraw/zinc/76/68/95/647766895.db2.gz BWQOOIBWXDEBGW-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC)[C@@H]2C)CC1 ZINC000994491905 647969739 /nfs/dbraw/zinc/96/97/39/647969739.db2.gz AMQALEATFFVNDS-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939448640 648652856 /nfs/dbraw/zinc/65/28/56/648652856.db2.gz SJMUMYYYVZOAPI-WBVHZDCISA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842448 648954553 /nfs/dbraw/zinc/95/45/53/648954553.db2.gz GYKLSMAMNGWWRV-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940913708 648967862 /nfs/dbraw/zinc/96/78/62/648967862.db2.gz GBULGPUIYYMBGQ-SJORKVTESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940913706 648967880 /nfs/dbraw/zinc/96/78/80/648967880.db2.gz GBULGPUIYYMBGQ-IRXDYDNUSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098936 649156933 /nfs/dbraw/zinc/15/69/33/649156933.db2.gz DHGQYFCXVOULQQ-ZFWWWQNUSA-N 2 0 321.490 2.436 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824642 649290981 /nfs/dbraw/zinc/29/09/81/649290981.db2.gz YGZZXEMIJROKGN-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943288941 649358971 /nfs/dbraw/zinc/35/89/71/649358971.db2.gz NYRXTCNXVSSUDD-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP CN(C)C(=[NH+]Cc1ccc(OCC[NH+]2CCCC2)cc1)N(C)C ZINC000849008142 651580137 /nfs/dbraw/zinc/58/01/37/651580137.db2.gz UIHGUKLSSCHCHX-UHFFFAOYSA-N 2 0 318.465 2.140 20 30 DEEDRP C[N@@H+]1CC[C@](O)(C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849019099 651584859 /nfs/dbraw/zinc/58/48/59/651584859.db2.gz IGYXXOCZGKFYLB-SFHVURJKSA-N 2 0 316.449 2.007 20 30 DEEDRP CC(C)NC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304763838 685260830 /nfs/dbraw/zinc/26/08/30/685260830.db2.gz XGFXSESJONGRCR-HNNXBMFYSA-N 2 0 318.465 2.199 20 30 DEEDRP CCO[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000253355006 685195926 /nfs/dbraw/zinc/19/59/26/685195926.db2.gz AEJNCCZMWSKMGO-DLBZAZTESA-N 2 0 318.465 2.153 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CC1 ZINC000303896144 685238580 /nfs/dbraw/zinc/23/85/80/685238580.db2.gz UHKQMRFZKFYWKN-INIZCTEOSA-N 2 0 318.440 2.246 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016706906 687686338 /nfs/dbraw/zinc/68/63/38/687686338.db2.gz NYLBMMFZPLZBSS-INIZCTEOSA-N 2 0 317.477 2.162 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016828053 687712201 /nfs/dbraw/zinc/71/22/01/687712201.db2.gz CEQUQWMCRYYUDY-HOTGVXAUSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001019274937 688317619 /nfs/dbraw/zinc/31/76/19/688317619.db2.gz VQOMSDAKDIUAMB-CABCVRRESA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001032581302 689193331 /nfs/dbraw/zinc/19/33/31/689193331.db2.gz PTKGPXAPFRJGFB-BZSNNMDCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033354056 689474021 /nfs/dbraw/zinc/47/40/21/689474021.db2.gz MJWMYKBQAIIFTP-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033883808 689649941 /nfs/dbraw/zinc/64/99/41/689649941.db2.gz UABODQNIGNHSLC-INIZCTEOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258488 689785159 /nfs/dbraw/zinc/78/51/59/689785159.db2.gz XWUXIJHWZSJIKC-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309572 689805017 /nfs/dbraw/zinc/80/50/17/689805017.db2.gz MRJNVSMUBYWXHW-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034370528 689826531 /nfs/dbraw/zinc/82/65/31/689826531.db2.gz XMKJPXYKWWZDRY-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001034676390 689924762 /nfs/dbraw/zinc/92/47/62/689924762.db2.gz YIDYTARQWCWKKD-LUKYLMHMSA-N 2 0 305.466 2.206 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001034680395 689925732 /nfs/dbraw/zinc/92/57/32/689925732.db2.gz RHOPXXISXJONSI-SHTZXODSSA-N 2 0 312.417 2.459 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034704237 689930267 /nfs/dbraw/zinc/93/02/67/689930267.db2.gz LNGBYLPPUBNATK-WKILWMFISA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035166135 690046224 /nfs/dbraw/zinc/04/62/24/690046224.db2.gz HZNQNGQNXWHVEI-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203511 690058810 /nfs/dbraw/zinc/05/88/10/690058810.db2.gz JMVMPIRWCJLXEE-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP CC1([NH+]2CCCCC2)CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000877298856 690069834 /nfs/dbraw/zinc/06/98/34/690069834.db2.gz CXEOQOVSACNHJF-MRXNPFEDSA-N 2 0 320.481 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035733040 690163422 /nfs/dbraw/zinc/16/34/22/690163422.db2.gz MFDFUIBTTRCZMZ-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001036055657 690247829 /nfs/dbraw/zinc/24/78/29/690247829.db2.gz QQZCDBMFKSOWTC-OCCSQVGLSA-N 2 0 313.873 2.050 20 30 DEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001036093706 690258801 /nfs/dbraw/zinc/25/88/01/690258801.db2.gz FWHDJNNJRJLYSS-DOTOQJQBSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001036300196 690314951 /nfs/dbraw/zinc/31/49/51/690314951.db2.gz AFFDDOWIKLDUMA-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001037848238 690622098 /nfs/dbraw/zinc/62/20/98/690622098.db2.gz BMRPHFWKOBZPIC-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038355442 690792909 /nfs/dbraw/zinc/79/29/09/690792909.db2.gz ZWQZAAPMXNIRAN-IRXDYDNUSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040201690 691212852 /nfs/dbraw/zinc/21/28/52/691212852.db2.gz NGLFISZTVDZIBQ-PKOBYXMFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040243823 691219639 /nfs/dbraw/zinc/21/96/39/691219639.db2.gz CBLJQPNKDVAILB-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040264032 691222468 /nfs/dbraw/zinc/22/24/68/691222468.db2.gz KVVLBMXRUCTLJT-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040283003 691225241 /nfs/dbraw/zinc/22/52/41/691225241.db2.gz YZDHJVISYLIHBK-SFHVURJKSA-N 2 0 317.477 2.115 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040641116 691275716 /nfs/dbraw/zinc/27/57/16/691275716.db2.gz KFYUJRNGIGAVKK-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377675 691368897 /nfs/dbraw/zinc/36/88/97/691368897.db2.gz CVDLGYCPAVOTEI-HKUYNNGSSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041403274 691371823 /nfs/dbraw/zinc/37/18/23/691371823.db2.gz OFHOHJKSVQOSKG-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785580 691429852 /nfs/dbraw/zinc/42/98/52/691429852.db2.gz ITEDIYYUPAUIAU-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCCO1 ZINC000883172823 691447572 /nfs/dbraw/zinc/44/75/72/691447572.db2.gz USVJSNHOLGKREK-ROUUACIJSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000883220961 691460136 /nfs/dbraw/zinc/46/01/36/691460136.db2.gz RSAVYCIMIVXXSH-SJORKVTESA-N 2 0 309.498 2.116 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132805 691517198 /nfs/dbraw/zinc/51/71/98/691517198.db2.gz FSBNTFCVHGZIKT-YOEHRIQHSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042132742 691517267 /nfs/dbraw/zinc/51/72/67/691517267.db2.gz HUYGMEIJHJKDTJ-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001042911637 691659642 /nfs/dbraw/zinc/65/96/42/691659642.db2.gz MEXDDLDBOSLYHP-INIZCTEOSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC001044656061 691866270 /nfs/dbraw/zinc/86/62/70/691866270.db2.gz ABVWSVOMSAWDFE-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438394 691981266 /nfs/dbraw/zinc/98/12/66/691981266.db2.gz RZLNRNCMENOHBP-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000886021556 691985750 /nfs/dbraw/zinc/98/57/50/691985750.db2.gz YUUZCYPBUMFQBD-IAGOWNOFSA-N 2 0 305.466 2.239 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001045531683 691993640 /nfs/dbraw/zinc/99/36/40/691993640.db2.gz NVIUFJJABKXVOG-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962070 692062846 /nfs/dbraw/zinc/06/28/46/692062846.db2.gz FKQBMVSMZIABTI-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979912 692067957 /nfs/dbraw/zinc/06/79/57/692067957.db2.gz MPPVSYBALSYGGA-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001048512347 692635044 /nfs/dbraw/zinc/63/50/44/692635044.db2.gz PGVYIXJOUBSYRV-XMTFNYHQSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571574 692925028 /nfs/dbraw/zinc/92/50/28/692925028.db2.gz DVXXROQQUIWTCS-IRXDYDNUSA-N 2 0 310.401 2.199 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376874 693518511 /nfs/dbraw/zinc/51/85/11/693518511.db2.gz KFNBPZMKJCRKGI-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCOc1ccc([C@@H](C)NC[C@@H](C[NH+](C)C)OCC)cc1 ZINC000926962384 693536285 /nfs/dbraw/zinc/53/62/85/693536285.db2.gz LNFZEKCHVDUPQQ-QAPCUYQASA-N 2 0 304.434 2.316 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052446295 693537527 /nfs/dbraw/zinc/53/75/27/693537527.db2.gz YNNLKVBNIOHOJQ-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562045 693568683 /nfs/dbraw/zinc/56/86/83/693568683.db2.gz IFGJACWTYYNNCY-MRXNPFEDSA-N 2 0 312.417 2.495 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764415 693614590 /nfs/dbraw/zinc/61/45/90/693614590.db2.gz OUTYQYPMJJLDMH-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001402322006 1162324686 /nfs/dbraw/zinc/32/46/86/1162324686.db2.gz WBDXMZVPWOKSQM-HUUCEWRRSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001332217565 1149836345 /nfs/dbraw/zinc/83/63/45/1149836345.db2.gz IHRRNEIQDYLNKI-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001335772244 1150526965 /nfs/dbraw/zinc/52/69/65/1150526965.db2.gz JXFWHHXYJQIYNT-UHFFFAOYSA-N 2 0 316.449 2.066 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001353483280 1151833398 /nfs/dbraw/zinc/83/33/98/1151833398.db2.gz SYTOEKWBLIZGPK-SFHVURJKSA-N 2 0 315.461 2.235 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C ZINC001380082780 1152747455 /nfs/dbraw/zinc/74/74/55/1152747455.db2.gz AVJVBWHAIZOHBL-ZDUSSCGKSA-N 2 0 303.878 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001381735407 1153199752 /nfs/dbraw/zinc/19/97/52/1153199752.db2.gz LIIYKCJLTOBNAF-UHFFFAOYSA-N 2 0 315.889 2.489 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001370963449 1155654373 /nfs/dbraw/zinc/65/43/73/1155654373.db2.gz NBCCTOTXMQWCNJ-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001392764933 1157396294 /nfs/dbraw/zinc/39/62/94/1157396294.db2.gz MZNYLMYZUDGPBT-LSDHHAIUSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001394855847 1158814871 /nfs/dbraw/zinc/81/48/71/1158814871.db2.gz RJWZAQIIRVLYHT-NRXISQOPSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001376979716 1159862857 /nfs/dbraw/zinc/86/28/57/1159862857.db2.gz KDGHZHMTHANZBZ-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001407688697 1165258057 /nfs/dbraw/zinc/25/80/57/1165258057.db2.gz HGBXZPGUGWTNSD-SHTZXODSSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001420025468 1169075860 /nfs/dbraw/zinc/07/58/60/1169075860.db2.gz RPTDYIATDKYYNW-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001421125133 1171512340 /nfs/dbraw/zinc/51/23/40/1171512340.db2.gz APCIQUGMLNZRFQ-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001422577607 1172723775 /nfs/dbraw/zinc/72/37/75/1172723775.db2.gz ZXCKXXCWLORFHC-KGLIPLIRSA-N 2 0 301.862 2.096 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001423669311 1173479415 /nfs/dbraw/zinc/47/94/15/1173479415.db2.gz CKCFPLYJNMFGEI-CQSZACIVSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001439766102 1181227612 /nfs/dbraw/zinc/22/76/12/1181227612.db2.gz UHTXKUYGODVMMG-UONOGXRCSA-N 2 0 301.862 2.048 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001441472274 1182010243 /nfs/dbraw/zinc/01/02/43/1182010243.db2.gz NKRMOMCNVDJNMF-CYBMUJFWSA-N 2 0 324.856 2.266 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001444373603 1183361955 /nfs/dbraw/zinc/36/19/55/1183361955.db2.gz ICYPXRCEUVCDBB-DZGCQCFKSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001444827747 1183577599 /nfs/dbraw/zinc/57/75/99/1183577599.db2.gz MJXXZRPBWHXNCZ-DZGCQCFKSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001446960661 1184591856 /nfs/dbraw/zinc/59/18/56/1184591856.db2.gz YFTHYMGUESJNLA-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177418 782470517 /nfs/dbraw/zinc/47/05/17/782470517.db2.gz AAYSBTZINFUYPC-UHFFFAOYSA-N 2 0 305.466 2.065 20 30 DEEDRP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001332736106 1149886347 /nfs/dbraw/zinc/88/63/47/1149886347.db2.gz WCVRDHQBNOBKAK-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249433 782569705 /nfs/dbraw/zinc/56/97/05/782569705.db2.gz HMZAVXXOFJBTQX-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321912 782653054 /nfs/dbraw/zinc/65/30/54/782653054.db2.gz HOJKVWISQRZZNV-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344955 782729885 /nfs/dbraw/zinc/72/98/85/782729885.db2.gz UUCFDXVTKGNLKT-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001106775628 782929336 /nfs/dbraw/zinc/92/93/36/782929336.db2.gz URJKUSVJBDIPOQ-QZTJIDSGSA-N 2 0 321.509 2.206 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552996 783170687 /nfs/dbraw/zinc/17/06/87/783170687.db2.gz YSTAZHOARAUJEO-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072983177 790356885 /nfs/dbraw/zinc/35/68/85/790356885.db2.gz NBFJSTFWGKRYOH-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237090 776789438 /nfs/dbraw/zinc/78/94/38/776789438.db2.gz UIDFSBNITADCOO-JKSUJKDBSA-N 2 0 307.482 2.026 20 30 DEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237077 776789604 /nfs/dbraw/zinc/78/96/04/776789604.db2.gz UAIOAJNZZWYJMA-CVEARBPZSA-N 2 0 307.482 2.026 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167812620 778653461 /nfs/dbraw/zinc/65/34/61/778653461.db2.gz RDJMRSMTEQDZQH-UHFFFAOYSA-N 2 0 315.889 2.347 20 30 DEEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298086 778764244 /nfs/dbraw/zinc/76/42/44/778764244.db2.gz ZPGIVYRZUHYLQU-KDURUIRLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001087986395 779609354 /nfs/dbraw/zinc/60/93/54/779609354.db2.gz JJQOCNGNSVXZCO-SQNIBIBYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994851 779620863 /nfs/dbraw/zinc/62/08/63/779620863.db2.gz GOCDNMGKTHDUBU-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001088323397 779952398 /nfs/dbraw/zinc/95/23/98/779952398.db2.gz NDIWDDHPTYCXGA-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001088329948 779968305 /nfs/dbraw/zinc/96/83/05/779968305.db2.gz LENMOZNSLZBKNW-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336820 779988012 /nfs/dbraw/zinc/98/80/12/779988012.db2.gz NLDUXPFSYSHAHO-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CCC)C2)CC1 ZINC001088430367 780115121 /nfs/dbraw/zinc/11/51/21/780115121.db2.gz NPKXFLROUFSBPT-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCOC(=O)N1CCC(C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168312210 780829213 /nfs/dbraw/zinc/82/92/13/780829213.db2.gz LHHZQFHECZDFIL-UHFFFAOYSA-N 2 0 323.481 2.483 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@@H+](C3CCC([NH+](C)C)CC3)C2)C1=O ZINC001168319103 780835487 /nfs/dbraw/zinc/83/54/87/780835487.db2.gz OPXBFZWDDVLOSW-FAFZWHIHSA-N 2 0 319.493 2.360 20 30 DEEDRP CCOC(=O)C1(C#N)CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168328461 780844128 /nfs/dbraw/zinc/84/41/28/780844128.db2.gz HKIYTFRGWVRCOX-UHFFFAOYSA-N 2 0 307.438 2.028 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292599 780958868 /nfs/dbraw/zinc/95/88/68/780958868.db2.gz UYRRSVRRCGABFC-IXDOHACOSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075993248 780966758 /nfs/dbraw/zinc/96/67/58/780966758.db2.gz LEXTUTQNEZDKFK-DOTOQJQBSA-N 2 0 310.401 2.057 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948242490 783388628 /nfs/dbraw/zinc/38/86/28/783388628.db2.gz XFPXYAXSYGUVBX-LSDHHAIUSA-N 2 0 313.873 2.146 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111275233 783488614 /nfs/dbraw/zinc/48/86/14/783488614.db2.gz ROXDZDUELCVGCL-VQHPVUNQSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583548 783511827 /nfs/dbraw/zinc/51/18/27/783511827.db2.gz UJYKAKQOSPYLOI-MRXNPFEDSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519266 783544583 /nfs/dbraw/zinc/54/45/83/783544583.db2.gz GZKBPIOFEGQMLK-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707120 784097292 /nfs/dbraw/zinc/09/72/92/784097292.db2.gz CPCWOWFIFQNWOO-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985032 784288842 /nfs/dbraw/zinc/28/88/42/784288842.db2.gz REBNDGMWVADKQZ-SFHVURJKSA-N 2 0 315.461 2.471 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681596 784538276 /nfs/dbraw/zinc/53/82/76/784538276.db2.gz KJFYIVPTHISITG-QAPCUYQASA-N 2 0 315.461 2.374 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(C)C ZINC000968893389 784639427 /nfs/dbraw/zinc/63/94/27/784639427.db2.gz JUGWAXFJDNZPIG-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007327435 784888633 /nfs/dbraw/zinc/88/86/33/784888633.db2.gz NUUBVDDCMOMPRV-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP CN(C)/C=[NH+]/c1ccc(N(CC[NH3+])c2cccnc2)cc1C#N ZINC001168838131 784935477 /nfs/dbraw/zinc/93/54/77/784935477.db2.gz PZCHNUZQJLGPLU-FYJGNVAPSA-N 2 0 308.389 2.271 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751410 784991664 /nfs/dbraw/zinc/99/16/64/784991664.db2.gz ZHGBGKNCLDFXOX-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008052746 785091593 /nfs/dbraw/zinc/09/15/93/785091593.db2.gz OPCKOOMASSXALS-SJORKVTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001008582884 785246253 /nfs/dbraw/zinc/24/62/53/785246253.db2.gz OLFBYXOOGXGTAE-ARFHVFGLSA-N 2 0 316.449 2.070 20 30 DEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400440 785852470 /nfs/dbraw/zinc/85/24/70/785852470.db2.gz GEPPPBPWHVAEGM-PMPSAXMXSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109411669 785858979 /nfs/dbraw/zinc/85/89/79/785858979.db2.gz GTUKOAOLNNWXAJ-IKGGRYGDSA-N 2 0 305.466 2.158 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109932933 786102779 /nfs/dbraw/zinc/10/27/79/786102779.db2.gz ZOQNGUCFLIUIAS-NCOADZHNSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC001170047885 786157389 /nfs/dbraw/zinc/15/73/89/786157389.db2.gz UMFVQHLSZZFGPN-ROUUACIJSA-N 2 0 301.434 2.410 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112960492 786329049 /nfs/dbraw/zinc/32/90/49/786329049.db2.gz MGXHTZWYINFRKT-ROUUACIJSA-N 2 0 321.509 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014698862 786712646 /nfs/dbraw/zinc/71/26/46/786712646.db2.gz BLAWVBGPOPOTSR-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203332122 786823748 /nfs/dbraw/zinc/82/37/48/786823748.db2.gz LMMDJAURZVPCTM-SJORKVTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCO[C@H](CC)C2)CC1 ZINC001170235925 786859693 /nfs/dbraw/zinc/85/96/93/786859693.db2.gz BDUDRXLZXSUOAI-RTBURBONSA-N 2 0 321.509 2.236 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015030801 786869573 /nfs/dbraw/zinc/86/95/73/786869573.db2.gz AETKHISBCUKIEJ-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096234233 787591265 /nfs/dbraw/zinc/59/12/65/787591265.db2.gz OWBLBJCUXZMUQC-SQNIBIBYSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790168 787734416 /nfs/dbraw/zinc/73/44/16/787734416.db2.gz HRLICDVRYJFNTO-QGZVFWFLSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799107 787743240 /nfs/dbraw/zinc/74/32/40/787743240.db2.gz IBZXEYAGUADEMQ-INIZCTEOSA-N 2 0 317.477 2.465 20 30 DEEDRP 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 787962603 /nfs/dbraw/zinc/96/26/03/787962603.db2.gz KEMCYNMQYUFSSL-WCXIOVBPSA-N 2 0 305.466 2.157 20 30 DEEDRP C=C(Cl)CN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266746 787998132 /nfs/dbraw/zinc/99/81/32/787998132.db2.gz ZLHXOBGABKZDES-UONOGXRCSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409978 788064074 /nfs/dbraw/zinc/06/40/74/788064074.db2.gz IAYWAFLXARGOLR-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493963 788104126 /nfs/dbraw/zinc/10/41/26/788104126.db2.gz OIMKDCOQLPPVBE-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524508 788113917 /nfs/dbraw/zinc/11/39/17/788113917.db2.gz IEPJJABKMHEOQV-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134808776 789097676 /nfs/dbraw/zinc/09/76/76/789097676.db2.gz LUIAJNYDHQUEEW-KBPBESRZSA-N 2 0 312.417 2.153 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086786027 789505289 /nfs/dbraw/zinc/50/52/89/789505289.db2.gz FWHDOKQRGZDFMU-LUKYLMHMSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071629280 789827574 /nfs/dbraw/zinc/82/75/74/789827574.db2.gz XLSWBWFXIQBIQA-ZBFHGGJFSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957317 789987709 /nfs/dbraw/zinc/98/77/09/789987709.db2.gz GVJBTTJKESMJLL-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171260854 791179884 /nfs/dbraw/zinc/17/98/84/791179884.db2.gz NHBNUGGGEZRVCM-CQSZACIVSA-N 2 0 315.889 2.488 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146584701 791310384 /nfs/dbraw/zinc/31/03/84/791310384.db2.gz UNEGBMSFFITSNI-HOTGVXAUSA-N 2 0 315.461 2.258 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146625547 791326132 /nfs/dbraw/zinc/32/61/32/791326132.db2.gz YUOWATLDQQVWKM-GJZGRUSLSA-N 2 0 303.450 2.421 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171330136 791741176 /nfs/dbraw/zinc/74/11/76/791741176.db2.gz RRPSENNTTAAHFI-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148651618 791781430 /nfs/dbraw/zinc/78/14/30/791781430.db2.gz KTULUGMYPBAMTK-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086941776 791856981 /nfs/dbraw/zinc/85/69/81/791856981.db2.gz BGESGKNTWOHDEK-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001092658367 792103089 /nfs/dbraw/zinc/10/30/89/792103089.db2.gz RICZVDYHIIYTEZ-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671790 792109508 /nfs/dbraw/zinc/10/95/08/792109508.db2.gz PJUSZRVKELXKCL-KZNAEPCWSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001099137919 792112415 /nfs/dbraw/zinc/11/24/15/792112415.db2.gz JJMGJOPKWRJPFJ-WDSOQIARSA-N 2 0 317.477 2.019 20 30 DEEDRP 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 792236139 /nfs/dbraw/zinc/23/61/39/792236139.db2.gz UGPLKCFHGSMCHL-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP 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 792238049 /nfs/dbraw/zinc/23/80/49/792238049.db2.gz SRLFQNSAKPCLQL-XSLAGTTESA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405761 792631799 /nfs/dbraw/zinc/63/17/99/792631799.db2.gz LRAHTIKIKHLKHJ-FHERZECASA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100535973 792710069 /nfs/dbraw/zinc/71/00/69/792710069.db2.gz DOKRREQEZQVAEH-UHFFFAOYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100614442 792750494 /nfs/dbraw/zinc/75/04/94/792750494.db2.gz SDHBTSJCFLNPEW-UHFFFAOYSA-N 2 0 319.449 2.405 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158297 792960589 /nfs/dbraw/zinc/96/05/89/792960589.db2.gz KKNZUGYUZJGODM-VSZNYVQBSA-N 2 0 319.493 2.404 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344968 793129851 /nfs/dbraw/zinc/12/98/51/793129851.db2.gz MWBGKSMDADJZBU-AEFFLSMTSA-N 2 0 307.482 2.075 20 30 DEEDRP CC(C)[NH+]1CCN(CC[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172302673 793393383 /nfs/dbraw/zinc/39/33/83/793393383.db2.gz ORFJUAJCTHIQCG-KRWDZBQOSA-N 2 0 314.477 2.105 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071497 793494288 /nfs/dbraw/zinc/49/42/88/793494288.db2.gz NJRMCGHVTCYPKX-ZACQAIPSSA-N 2 0 309.498 2.223 20 30 DEEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472225 793625847 /nfs/dbraw/zinc/62/58/47/793625847.db2.gz PJLRYNCECXXZJE-KZNAEPCWSA-N 2 0 321.509 2.060 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782718 793754488 /nfs/dbraw/zinc/75/44/88/793754488.db2.gz PDCUXZNHQHDUNX-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591199 793775373 /nfs/dbraw/zinc/77/53/73/793775373.db2.gz LBWMKESZADROIX-PUSDAICGSA-N 2 0 320.481 2.037 20 30 DEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001174882808 794083177 /nfs/dbraw/zinc/08/31/77/794083177.db2.gz XNQVEIABMWPJEN-QZTJIDSGSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103435182 794090834 /nfs/dbraw/zinc/09/08/34/794090834.db2.gz UHGXODSCCCOVQK-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103436100 794092093 /nfs/dbraw/zinc/09/20/93/794092093.db2.gz KKHPRLGEXUHMLY-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001175747886 794277167 /nfs/dbraw/zinc/27/71/67/794277167.db2.gz VXEWYTLTIDEZHT-KRWDZBQOSA-N 2 0 309.498 2.396 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782248 794479723 /nfs/dbraw/zinc/47/97/23/794479723.db2.gz AMCHFXIRRFGUDA-BQFCYCMXSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176728938 794481835 /nfs/dbraw/zinc/48/18/35/794481835.db2.gz RUBQIXLTGSMJCB-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)CC1 ZINC001176738720 794483691 /nfs/dbraw/zinc/48/36/91/794483691.db2.gz RYFWGXAXBOUZCL-KRWDZBQOSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861667 794503437 /nfs/dbraw/zinc/50/34/37/794503437.db2.gz YKXWUGKNDNFCBV-BQFCYCMXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001112399484 794622727 /nfs/dbraw/zinc/62/27/27/794622727.db2.gz WDGPFBQEEGTZGZ-LNLFQRSKSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115534928 794812556 /nfs/dbraw/zinc/81/25/56/794812556.db2.gz BSQKJPLMFLEINN-QGZVFWFLSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001115545110 794815668 /nfs/dbraw/zinc/81/56/68/794815668.db2.gz QZRPIINGCUIINE-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692323 794881450 /nfs/dbraw/zinc/88/14/50/794881450.db2.gz MTTBYMOZCPOFNR-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001179792492 795177359 /nfs/dbraw/zinc/17/73/59/795177359.db2.gz PIFRAWQYUORLEI-ROUUACIJSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929391 795201955 /nfs/dbraw/zinc/20/19/55/795201955.db2.gz LFBPPQSXIKECPP-JYJNAYRXSA-N 2 0 305.466 2.016 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180076826 795235831 /nfs/dbraw/zinc/23/58/31/795235831.db2.gz JEZXFVJQVQWRCX-UHFFFAOYSA-N 2 0 316.449 2.051 20 30 DEEDRP C=CCCC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180071774 795236224 /nfs/dbraw/zinc/23/62/24/795236224.db2.gz CBUXOZCVTSEYRY-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138748 795239412 /nfs/dbraw/zinc/23/94/12/795239412.db2.gz NKJVGTRCTGYHIN-ULQDDVLXSA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C)[C@H]1C ZINC001180135577 795240229 /nfs/dbraw/zinc/24/02/29/795240229.db2.gz JLJWTGGRVHVUSI-YCPHGPKFSA-N 2 0 304.438 2.125 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180211330 795256939 /nfs/dbraw/zinc/25/69/39/795256939.db2.gz DVMWSQRZFOJJEE-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nn1 ZINC001120072553 795402316 /nfs/dbraw/zinc/40/23/16/795402316.db2.gz WVDIGANULVNDBQ-YQQAZPJKSA-N 2 0 303.454 2.016 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CCCCC1 ZINC001120239756 795426424 /nfs/dbraw/zinc/42/64/24/795426424.db2.gz FCBWOEOSTOLENK-UHFFFAOYSA-N 2 0 319.493 2.294 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422806 795456162 /nfs/dbraw/zinc/45/61/62/795456162.db2.gz OOKWSGCSVJOJNF-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294748 795612444 /nfs/dbraw/zinc/61/24/44/795612444.db2.gz GQNZFJDYKHEHER-APUKJBRXSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767535 795685063 /nfs/dbraw/zinc/68/50/63/795685063.db2.gz GIYKBZASUUKWDW-KZIPQDEESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121772898 795685666 /nfs/dbraw/zinc/68/56/66/795685666.db2.gz JYUKRBNOGWPBGS-OIJFSCQUSA-N 2 0 319.493 2.167 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177707 795733163 /nfs/dbraw/zinc/73/31/63/795733163.db2.gz JAIXBKSFKZWYAO-KZIPQDEESA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517051 795879768 /nfs/dbraw/zinc/87/97/68/795879768.db2.gz MIXBYDXASXASGS-ZHALLVOQSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001183977109 795972151 /nfs/dbraw/zinc/97/21/51/795972151.db2.gz CBHKODSZOPOKSP-GOEBONIOSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585866 796088500 /nfs/dbraw/zinc/08/85/00/796088500.db2.gz XZKWBJQZKVBBCP-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185525860 796278564 /nfs/dbraw/zinc/27/85/64/796278564.db2.gz GTCPEMMEMHYTIJ-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203640463 796414828 /nfs/dbraw/zinc/41/48/28/796414828.db2.gz CDLQZJUTTHUEKI-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001187091648 796487514 /nfs/dbraw/zinc/48/75/14/796487514.db2.gz JTFFUGUKXAELCN-UONOGXRCSA-N 2 0 304.438 2.233 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219233 796645543 /nfs/dbraw/zinc/64/55/43/796645543.db2.gz IKVAIKIORCNRCG-XYJFISCASA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346809 796660219 /nfs/dbraw/zinc/66/02/19/796660219.db2.gz XDEIXLHHMFPNDN-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443957 796997799 /nfs/dbraw/zinc/99/77/99/796997799.db2.gz MBISYNSBSVSQDW-CVEARBPZSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443948 796998266 /nfs/dbraw/zinc/99/82/66/796998266.db2.gz LXVYOJFMXAWWDC-JKSUJKDBSA-N 2 0 313.461 2.165 20 30 DEEDRP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654192 797049140 /nfs/dbraw/zinc/04/91/40/797049140.db2.gz IABYZIXDXQNOEX-ZWKOTPCHSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190653544 797050817 /nfs/dbraw/zinc/05/08/17/797050817.db2.gz DIESDHJGBCVYEC-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818965 797403258 /nfs/dbraw/zinc/40/32/58/797403258.db2.gz HSNKCROQPKSASP-AEFFLSMTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428726 797998707 /nfs/dbraw/zinc/99/87/07/797998707.db2.gz XFJWTCXGYOTSBK-CQSZACIVSA-N 2 0 304.438 2.164 20 30 DEEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196641773 798082041 /nfs/dbraw/zinc/08/20/41/798082041.db2.gz PXSPPDBENAJDQB-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001197049940 798138352 /nfs/dbraw/zinc/13/83/52/798138352.db2.gz ZTOPACNRJFZUAT-IAGOWNOFSA-N 2 0 309.498 2.462 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197021728 798139518 /nfs/dbraw/zinc/13/95/18/798139518.db2.gz FEFOBXOXQKDITF-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001197158187 798157404 /nfs/dbraw/zinc/15/74/04/798157404.db2.gz KJQCWERMCBUOTH-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)CN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886367 798253288 /nfs/dbraw/zinc/25/32/88/798253288.db2.gz QWIGLYCNTMCLLK-UHFFFAOYSA-N 2 0 301.862 2.005 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951326 798311774 /nfs/dbraw/zinc/31/17/74/798311774.db2.gz UJVYPDPCIZLYOH-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158856450 798479655 /nfs/dbraw/zinc/47/96/55/798479655.db2.gz HMNCLHUTYIQRIA-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200506916 798642457 /nfs/dbraw/zinc/64/24/57/798642457.db2.gz IWLWTRXHNSIRJT-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930707 798970933 /nfs/dbraw/zinc/97/09/33/798970933.db2.gz HLNVMHPUPBWXIO-UHFFFAOYSA-N 2 0 317.477 2.024 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206679458 799202013 /nfs/dbraw/zinc/20/20/13/799202013.db2.gz GBFAJNGOGSBRGV-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CCC ZINC001162986849 799215791 /nfs/dbraw/zinc/21/57/91/799215791.db2.gz BPPFOQDIYRFNLG-UHFFFAOYSA-N 2 0 317.477 2.175 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095661730 799685083 /nfs/dbraw/zinc/68/50/83/799685083.db2.gz NHNDQKYPJRHBJW-COXVUDFISA-N 2 0 310.401 2.164 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485051 799736800 /nfs/dbraw/zinc/73/68/00/799736800.db2.gz KOYVCSPKNNBDCS-KRWDZBQOSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165763754 799771876 /nfs/dbraw/zinc/77/18/76/799771876.db2.gz FNYJJXUBRUFRFO-CQSZACIVSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203316663 800036548 /nfs/dbraw/zinc/03/65/48/800036548.db2.gz IJISLKHKHMJTQW-ZIAGYGMSSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203770479 800120188 /nfs/dbraw/zinc/12/01/88/800120188.db2.gz GQSVCJRMJIFBBK-DLBZAZTESA-N 2 0 319.493 2.456 20 30 DEEDRP CC#CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461892 800360175 /nfs/dbraw/zinc/36/01/75/800360175.db2.gz RPEPZAQNWHGYAW-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483506 800362081 /nfs/dbraw/zinc/36/20/81/800362081.db2.gz GUPNCCPZANBWJG-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206275609 800500230 /nfs/dbraw/zinc/50/02/30/800500230.db2.gz WWPVSGPMMFDDGB-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001207436878 800751942 /nfs/dbraw/zinc/75/19/42/800751942.db2.gz VUUCCXWGKYFGMQ-SFHVURJKSA-N 2 0 321.465 2.097 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207538293 800773604 /nfs/dbraw/zinc/77/36/04/800773604.db2.gz MQUBFALBVYOBQG-FGTMMUONSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001208109317 800913892 /nfs/dbraw/zinc/91/38/92/800913892.db2.gz IUZUGNMIEYETOW-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331603 800956707 /nfs/dbraw/zinc/95/67/07/800956707.db2.gz UWUOBZQSNDYRSR-IRXDYDNUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208606184 801027747 /nfs/dbraw/zinc/02/77/47/801027747.db2.gz DKHBCIGCTOCDBM-GBESFXJTSA-N 2 0 322.493 2.402 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208747523 801062261 /nfs/dbraw/zinc/06/22/61/801062261.db2.gz CHWLDMATDCPQAL-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP Cc1cc(C#N)cc(C#N)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265862 801363372 /nfs/dbraw/zinc/36/33/72/801363372.db2.gz HYOBGUVEYKCFBK-UHFFFAOYSA-N 2 0 318.384 2.287 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210585640 801426302 /nfs/dbraw/zinc/42/63/02/801426302.db2.gz RNQUMCYGWSAQAD-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610442 801435206 /nfs/dbraw/zinc/43/52/06/801435206.db2.gz AZIMRXHSMKCMIT-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC001218452113 802184851 /nfs/dbraw/zinc/18/48/51/802184851.db2.gz POBUOOSYHRYLQB-RTBURBONSA-N 2 0 315.461 2.167 20 30 DEEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001218547514 802204409 /nfs/dbraw/zinc/20/44/09/802204409.db2.gz IWEIOYQJUJIFAP-ZDUSSCGKSA-N 2 0 320.462 2.106 20 30 DEEDRP N#Cc1oc2ccccc2c1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218626637 802216754 /nfs/dbraw/zinc/21/67/54/802216754.db2.gz KUPWPOFQSRDDIH-NSHDSACASA-N 2 0 300.362 2.089 20 30 DEEDRP N#Cc1c2ccccc2sc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218649277 802221861 /nfs/dbraw/zinc/22/18/61/802221861.db2.gz VOBOGUFOGWHDSU-LBPRGKRZSA-N 2 0 302.403 2.168 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1ncc[nH]1 ZINC001234011193 802265781 /nfs/dbraw/zinc/26/57/81/802265781.db2.gz JFIOBQXTRSFIMP-GJZGRUSLSA-N 2 0 304.438 2.230 20 30 DEEDRP COc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001218979494 802269371 /nfs/dbraw/zinc/26/93/71/802269371.db2.gz NMJSFENRKVEWFU-AWEZNQCLSA-N 2 0 318.421 2.001 20 30 DEEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791658 802616144 /nfs/dbraw/zinc/61/61/44/802616144.db2.gz WUAVENVQSFDOOT-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083583 802639823 /nfs/dbraw/zinc/63/98/23/802639823.db2.gz IHRREPIVMJIHGQ-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001223507344 802796585 /nfs/dbraw/zinc/79/65/85/802796585.db2.gz QONSZGDAHKVLJR-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223916984 802823766 /nfs/dbraw/zinc/82/37/66/802823766.db2.gz YAKGHTXIVDGMCE-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739801 802899920 /nfs/dbraw/zinc/89/99/20/802899920.db2.gz QSIJIFONAXALCR-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001224946216 802919896 /nfs/dbraw/zinc/91/98/96/802919896.db2.gz CTTQXVRHMIVNED-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226555175 803123794 /nfs/dbraw/zinc/12/37/94/803123794.db2.gz TYAACRIBBGLJBH-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001331226190 1149399390 /nfs/dbraw/zinc/39/93/90/1149399390.db2.gz OSPKZBLMGKZCKH-IAGOWNOFSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001370316034 1149525225 /nfs/dbraw/zinc/52/52/25/1149525225.db2.gz CMOSJYITXXFZNF-HUUCEWRRSA-N 2 0 315.889 2.250 20 30 DEEDRP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001328735439 1148830131 /nfs/dbraw/zinc/83/01/31/1148830131.db2.gz AWESTOUJOJIETE-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCCCCC[C@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001253238285 1142856141 /nfs/dbraw/zinc/85/61/41/1142856141.db2.gz BXCFYXVGRIKYFX-SFHVURJKSA-N 2 0 313.530 2.299 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001328940313 1148850103 /nfs/dbraw/zinc/85/01/03/1148850103.db2.gz FZCXKKKJTOPPFS-VJFUWPCTSA-N 2 0 315.461 2.350 20 30 DEEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001500161062 1058536446 /nfs/dbraw/zinc/53/64/46/1058536446.db2.gz GITPYWQPECFBHU-IBGZPJMESA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001501168843 1059345463 /nfs/dbraw/zinc/34/54/63/1059345463.db2.gz MGWWACNINXPBGT-BJWYYQGGSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001501890036 1059759731 /nfs/dbraw/zinc/75/97/31/1059759731.db2.gz SIGFEBCVPFDMNN-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001502508324 1060157431 /nfs/dbraw/zinc/15/74/31/1060157431.db2.gz QLBSKAZUTIBGMV-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505436641 1060594867 /nfs/dbraw/zinc/59/48/67/1060594867.db2.gz BBLVZQDLWXXQOQ-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001505473814 1060642806 /nfs/dbraw/zinc/64/28/06/1060642806.db2.gz YQRZAKBHKFYSPV-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001479647128 1061559071 /nfs/dbraw/zinc/55/90/71/1061559071.db2.gz BMMMZPHVZGGNSL-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479915064 1062051505 /nfs/dbraw/zinc/05/15/05/1062051505.db2.gz HGZQRFVZMBNWMQ-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001506679178 1062270163 /nfs/dbraw/zinc/27/01/63/1062270163.db2.gz NGUGTQGEQVDQNZ-RDJZCZTQSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480102111 1062329826 /nfs/dbraw/zinc/32/98/26/1062329826.db2.gz PGUTUQLGCGFHML-KURKYZTESA-N 2 0 319.493 2.360 20 30 DEEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001506892831 1062480956 /nfs/dbraw/zinc/48/09/56/1062480956.db2.gz BYDAZNFDJMWQRM-QAQDUYKDSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480240403 1062506317 /nfs/dbraw/zinc/50/63/17/1062506317.db2.gz WCRAKNBQUSZGND-BBWFWOEESA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[N@@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001506961646 1062605393 /nfs/dbraw/zinc/60/53/93/1062605393.db2.gz WGVKLEXYOJNGSR-UHFFFAOYSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)N(C)C ZINC001480368516 1062724176 /nfs/dbraw/zinc/72/41/76/1062724176.db2.gz ZEWBRNUWXLCFLP-QZTJIDSGSA-N 2 0 315.461 2.446 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001507347220 1063133969 /nfs/dbraw/zinc/13/39/69/1063133969.db2.gz HEVMDAJAVHKICH-QAPCUYQASA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001507854923 1063442458 /nfs/dbraw/zinc/44/24/58/1063442458.db2.gz NOPPAOKIBKFCOJ-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001493209812 1063642561 /nfs/dbraw/zinc/64/25/61/1063642561.db2.gz COHXSEQKZVBTCM-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001493905310 1064017949 /nfs/dbraw/zinc/01/79/49/1064017949.db2.gz NFGQQSRZNQCWND-KRWDZBQOSA-N 2 0 303.450 2.350 20 30 DEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001567652223 1064317850 /nfs/dbraw/zinc/31/78/50/1064317850.db2.gz QRSFKVGZZYTBFT-SFHVURJKSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001567661050 1064325858 /nfs/dbraw/zinc/32/58/58/1064325858.db2.gz PKXPHQMCXVSUDU-QZTJIDSGSA-N 2 0 315.461 2.494 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001567693321 1064349862 /nfs/dbraw/zinc/34/98/62/1064349862.db2.gz NITRKHWAKLMCJY-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567712950 1064370306 /nfs/dbraw/zinc/37/03/06/1064370306.db2.gz SDLVCTPRTNIKFP-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567942160 1064544839 /nfs/dbraw/zinc/54/48/39/1064544839.db2.gz LFMZYVXYXAZWGQ-DLBZAZTESA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567976830 1064575876 /nfs/dbraw/zinc/57/58/76/1064575876.db2.gz KQGSLOPWSNDOJW-WMLDXEAASA-N 2 0 313.461 2.259 20 30 DEEDRP C#CCC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001568043883 1064615016 /nfs/dbraw/zinc/61/50/16/1064615016.db2.gz QEVFAFQCGMPICH-AEFFLSMTSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C[NH2+]CC)CCCC[C@@H]2C)CC1 ZINC001568043518 1064615337 /nfs/dbraw/zinc/61/53/37/1064615337.db2.gz LOKKYMWEAOFIPZ-LPHOPBHVSA-N 2 0 319.493 2.006 20 30 DEEDRP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH]cn2)cc1 ZINC001568120808 1064656686 /nfs/dbraw/zinc/65/66/86/1064656686.db2.gz CHFNLHGOWQMGOH-OAHLLOKOSA-N 2 0 324.428 2.018 20 30 DEEDRP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001568121729 1064658582 /nfs/dbraw/zinc/65/85/82/1064658582.db2.gz MBSHMLONOBZSBN-UHFFFAOYSA-N 2 0 315.461 2.454 20 30 DEEDRP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001495278337 1064802511 /nfs/dbraw/zinc/80/25/11/1064802511.db2.gz HPLDKOWUWMSFFK-APWZRJJASA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001568401784 1064839142 /nfs/dbraw/zinc/83/91/42/1064839142.db2.gz ZBWBRVRXKYZXON-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001568412279 1064848997 /nfs/dbraw/zinc/84/89/97/1064848997.db2.gz QFKXBEPGMVCPCZ-IRXDYDNUSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001568485404 1064904409 /nfs/dbraw/zinc/90/44/09/1064904409.db2.gz VDKRKGSXNPVUHS-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001495940339 1065185902 /nfs/dbraw/zinc/18/59/02/1065185902.db2.gz ZDUFYYDWIOHJGC-UHFFFAOYSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569247391 1065393799 /nfs/dbraw/zinc/39/37/99/1065393799.db2.gz NOUDERPQNGYIPI-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001569466498 1065524366 /nfs/dbraw/zinc/52/43/66/1065524366.db2.gz BIJZKIFWPFXPQZ-HKUYNNGSSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001569598051 1065614428 /nfs/dbraw/zinc/61/44/28/1065614428.db2.gz UYTYRDSPKSTQJZ-UHFFFAOYSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001569715729 1065687482 /nfs/dbraw/zinc/68/74/82/1065687482.db2.gz QCYNQOVRKYEKKH-HKUYNNGSSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001569985652 1065862300 /nfs/dbraw/zinc/86/23/00/1065862300.db2.gz VOBJDFACMLJHIS-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001570008453 1065879621 /nfs/dbraw/zinc/87/96/21/1065879621.db2.gz LNHSKVACKCIZES-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001570274525 1066000579 /nfs/dbraw/zinc/00/05/79/1066000579.db2.gz FPGWMDQVXYHPNH-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001577524152 1066866972 /nfs/dbraw/zinc/86/69/72/1066866972.db2.gz XDDMNEZBGXHMFL-INIZCTEOSA-N 2 0 308.470 2.122 20 30 DEEDRP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001499482347 1067234800 /nfs/dbraw/zinc/23/48/00/1067234800.db2.gz VAFUTQTUTCUDFZ-ROUUACIJSA-N 2 0 319.493 2.053 20 30 DEEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580047836 1067482258 /nfs/dbraw/zinc/48/22/58/1067482258.db2.gz PYXRJAQIQJHACY-KRWDZBQOSA-N 2 0 320.481 2.122 20 30 DEEDRP N#Cc1ccc(C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066757 1067487772 /nfs/dbraw/zinc/48/77/72/1067487772.db2.gz SOFXIFMWIVNEGF-MOPGFXCFSA-N 2 0 311.429 2.291 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001483445525 1078538055 /nfs/dbraw/zinc/53/80/55/1078538055.db2.gz ZHBXULFUEJUOJG-HZPDHXFCSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570544595 1067997293 /nfs/dbraw/zinc/99/72/93/1067997293.db2.gz ZJVWWDNSDRLZDX-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570689355 1068069267 /nfs/dbraw/zinc/06/92/67/1068069267.db2.gz WGNAVYXTPXSESY-CVEARBPZSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001422061083 1078644782 /nfs/dbraw/zinc/64/47/82/1078644782.db2.gz PKVJYXBMSDYWMA-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001570710067 1068085213 /nfs/dbraw/zinc/08/52/13/1068085213.db2.gz ASXDWQVIIAAVQX-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001571068038 1068178936 /nfs/dbraw/zinc/17/89/36/1068178936.db2.gz DQYQSWQFBSNAJF-HDICACEKSA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001571197683 1068192206 /nfs/dbraw/zinc/19/22/06/1068192206.db2.gz IMPFVLSGETWRKB-SAABIXHNSA-N 2 0 315.461 2.422 20 30 DEEDRP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001571373881 1068257853 /nfs/dbraw/zinc/25/78/53/1068257853.db2.gz QJUDRJZCKFLTOG-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001571557788 1068419213 /nfs/dbraw/zinc/41/92/13/1068419213.db2.gz VRMSESNULUFEAM-IRXDYDNUSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C(C)C)c(F)c1 ZINC001571704358 1068491663 /nfs/dbraw/zinc/49/16/63/1068491663.db2.gz QTXLWOZZICYPMU-UHFFFAOYSA-N 2 0 321.440 2.448 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483668162 1078766822 /nfs/dbraw/zinc/76/68/22/1078766822.db2.gz SLJHRCIUVHORLC-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267474530 1078894051 /nfs/dbraw/zinc/89/40/51/1078894051.db2.gz ISBAVWJJIRSGTK-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267537420 1078967192 /nfs/dbraw/zinc/96/71/92/1078967192.db2.gz IPTAWRVWVOKESN-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001483817575 1079131840 /nfs/dbraw/zinc/13/18/40/1079131840.db2.gz RAHRBRZYMZHXDO-UHFFFAOYSA-N 2 0 316.449 2.231 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483946067 1079201619 /nfs/dbraw/zinc/20/16/19/1079201619.db2.gz MDFTZVDELRUILW-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001483980595 1079223837 /nfs/dbraw/zinc/22/38/37/1079223837.db2.gz LEWLVRUJXMYNRJ-GOSISDBHSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481127657 1079225710 /nfs/dbraw/zinc/22/57/10/1079225710.db2.gz ZNFOGCIYWPVHPE-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCCC=C)CC1 ZINC001483989133 1079228317 /nfs/dbraw/zinc/22/83/17/1079228317.db2.gz YBBNAWUIPMTFFF-GOSISDBHSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001484124923 1079314089 /nfs/dbraw/zinc/31/40/89/1079314089.db2.gz KPBDKVHJSAIWSA-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267657829 1079348533 /nfs/dbraw/zinc/34/85/33/1079348533.db2.gz FVFQUEDUBOGMGV-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267680971 1079370092 /nfs/dbraw/zinc/37/00/92/1079370092.db2.gz DRVMCRWNHWEJNI-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001565923177 1075206387 /nfs/dbraw/zinc/20/63/87/1075206387.db2.gz VXRCQWIUQRPWPD-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001566912866 1075383163 /nfs/dbraw/zinc/38/31/63/1075383163.db2.gz ZZSUCHNTZVLDJE-HKUYNNGSSA-N 2 0 319.493 2.267 20 30 DEEDRP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567163815 1075449339 /nfs/dbraw/zinc/44/93/39/1075449339.db2.gz HWXJKHKEPZKZEM-DLBZAZTESA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001267844655 1079535587 /nfs/dbraw/zinc/53/55/87/1079535587.db2.gz UYRGUSPVVFKRLA-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267898947 1079585416 /nfs/dbraw/zinc/58/54/16/1079585416.db2.gz YEQQXQXYCFXUAF-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001267939707 1079619602 /nfs/dbraw/zinc/61/96/02/1079619602.db2.gz SSVHCADLRCQVDQ-SFHVURJKSA-N 2 0 315.461 2.002 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267959050 1079638869 /nfs/dbraw/zinc/63/88/69/1079638869.db2.gz LOFUCUUACSVRCQ-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484527749 1079641681 /nfs/dbraw/zinc/64/16/81/1079641681.db2.gz XXWJXGNDVRMNLS-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268001149 1079682658 /nfs/dbraw/zinc/68/26/58/1079682658.db2.gz WVHIJTHRCXYTGO-FUHWJXTLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001481343077 1079736797 /nfs/dbraw/zinc/73/67/97/1079736797.db2.gz QMQHYIRQNNBVTG-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484876657 1079832805 /nfs/dbraw/zinc/83/28/05/1079832805.db2.gz OTRJLYFXMPTPQO-BBWFWOEESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001268163899 1080141804 /nfs/dbraw/zinc/14/18/04/1080141804.db2.gz CRLWYQHKRSVFBK-SFHVURJKSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001268221493 1080205826 /nfs/dbraw/zinc/20/58/26/1080205826.db2.gz CTKZTKUSBANJCY-IAGOWNOFSA-N 2 0 307.482 2.003 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001485455536 1080217062 /nfs/dbraw/zinc/21/70/62/1080217062.db2.gz NWGQXNHBMIISTI-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCC)C2)CC1 ZINC001268236690 1080219170 /nfs/dbraw/zinc/21/91/70/1080219170.db2.gz MWTNSAGQHDNLEM-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485467436 1080222771 /nfs/dbraw/zinc/22/27/71/1080222771.db2.gz CMNUICXTMPXGPD-YESZJQIVSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001660474099 1080337194 /nfs/dbraw/zinc/33/71/94/1080337194.db2.gz AJZOEWPRCCSHAS-DLBZAZTESA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC001485657721 1080358757 /nfs/dbraw/zinc/35/87/57/1080358757.db2.gz NASGZRTYKYZDMY-YESZJQIVSA-N 2 0 316.449 2.066 20 30 DEEDRP C=CCC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001660714931 1080385563 /nfs/dbraw/zinc/38/55/63/1080385563.db2.gz CHIGOVDXTIZKNY-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001485767977 1080422883 /nfs/dbraw/zinc/42/28/83/1080422883.db2.gz VONNSCXWBMZZOB-UHFFFAOYSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547762 1080482991 /nfs/dbraw/zinc/48/29/91/1080482991.db2.gz KSKWGVDPSIDTMB-MHORFTMASA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001661661723 1080505016 /nfs/dbraw/zinc/50/50/16/1080505016.db2.gz ZQQJMELAZILVLX-ZACQAIPSSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001661925793 1080546077 /nfs/dbraw/zinc/54/60/77/1080546077.db2.gz NOQZTPQTXVGUTO-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001481963480 1080648407 /nfs/dbraw/zinc/64/84/07/1080648407.db2.gz LBOMAYOVIOJVBO-MJGOQNOKSA-N 2 0 319.493 2.150 20 30 DEEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001662862247 1080669666 /nfs/dbraw/zinc/66/96/66/1080669666.db2.gz KGMODMHRKVFGPI-QZTJIDSGSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001482022049 1080697357 /nfs/dbraw/zinc/69/73/57/1080697357.db2.gz CNFTVAWSNTUOFU-QAQDUYKDSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001482070944 1080776131 /nfs/dbraw/zinc/77/61/31/1080776131.db2.gz YFTHFCRRBAYBAT-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001482117540 1080814757 /nfs/dbraw/zinc/81/47/57/1080814757.db2.gz HZDPUFPMIBDPNG-ZDUSSCGKSA-N 2 0 300.406 2.174 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001006446050 1081176515 /nfs/dbraw/zinc/17/65/15/1081176515.db2.gz SMWMAVDYXLNRHF-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000949800362 1081204001 /nfs/dbraw/zinc/20/40/01/1081204001.db2.gz IDVOYBMDIPFGQJ-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001667278574 1081232652 /nfs/dbraw/zinc/23/26/52/1081232652.db2.gz AQICYEPHSCRWGH-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000950089893 1081268268 /nfs/dbraw/zinc/26/82/68/1081268268.db2.gz PWSXRXPRWNZMHG-DLBZAZTESA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111309716 1081292558 /nfs/dbraw/zinc/29/25/58/1081292558.db2.gz WDAPJCQEGMBXEA-HZMVEIRTSA-N 2 0 307.482 2.404 20 30 DEEDRP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001269613600 1081307468 /nfs/dbraw/zinc/30/74/68/1081307468.db2.gz BQMZKBYKCPQJEO-PKOBYXMFSA-N 2 0 319.493 2.169 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001668321108 1081341012 /nfs/dbraw/zinc/34/10/12/1081341012.db2.gz WRQUUJMURYLQHE-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269729831 1081347985 /nfs/dbraw/zinc/34/79/85/1081347985.db2.gz HTYKNOFWHUUCCF-AEFFLSMTSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000950615158 1081378711 /nfs/dbraw/zinc/37/87/11/1081378711.db2.gz NEPFIQONTBKIEJ-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001269985237 1081417653 /nfs/dbraw/zinc/41/76/53/1081417653.db2.gz DXOQSZIHVSOJLV-KZNAEPCWSA-N 2 0 319.493 2.311 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001270118453 1081454487 /nfs/dbraw/zinc/45/44/87/1081454487.db2.gz PHVQALJJFKTQHS-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001270125433 1081455880 /nfs/dbraw/zinc/45/58/80/1081455880.db2.gz ZBBUULYEMUIGQQ-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001270234627 1081480719 /nfs/dbraw/zinc/48/07/19/1081480719.db2.gz VVYXOAOVFWTWSI-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001671916451 1081550172 /nfs/dbraw/zinc/55/01/72/1081550172.db2.gz LXPDVZCTVVMBMJ-SJLPKXTDSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001672567460 1081611740 /nfs/dbraw/zinc/61/17/40/1081611740.db2.gz DUDCEVQAXVGWBM-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001673175076 1081743929 /nfs/dbraw/zinc/74/39/29/1081743929.db2.gz DDABPFYXBXSSOH-KRWDZBQOSA-N 2 0 317.477 2.045 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001673218277 1081747308 /nfs/dbraw/zinc/74/73/08/1081747308.db2.gz JGMWEIQEMASUTJ-HOTGVXAUSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001673639240 1081787796 /nfs/dbraw/zinc/78/77/96/1081787796.db2.gz FVRLIIMVRWNHBS-IEBWSBKVSA-N 2 0 319.493 2.361 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001482405712 1081797620 /nfs/dbraw/zinc/79/76/20/1081797620.db2.gz GCMOUJCPMJKLPO-NXHRZFHOSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001482421379 1081809632 /nfs/dbraw/zinc/80/96/32/1081809632.db2.gz GDPVKFQPIQTGEW-GDBMZVCRSA-N 2 0 304.438 2.135 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001482420767 1081809815 /nfs/dbraw/zinc/80/98/15/1081809815.db2.gz FNMGALHLEGYHOG-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001674224346 1081851748 /nfs/dbraw/zinc/85/17/48/1081851748.db2.gz MSYMBGJRCGZTBW-WMZOPIPTSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266252451 1081917528 /nfs/dbraw/zinc/91/75/28/1081917528.db2.gz ULKCQDFPENBVRR-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001271491431 1082062335 /nfs/dbraw/zinc/06/23/35/1082062335.db2.gz RCEBBOHIHJUJAZ-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001670538372 1082169117 /nfs/dbraw/zinc/16/91/17/1082169117.db2.gz DIABBLRDPGGXQS-QGZVFWFLSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266893562 1082436159 /nfs/dbraw/zinc/43/61/59/1082436159.db2.gz CMJAZVSCHWTKEQ-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482833169 1082524598 /nfs/dbraw/zinc/52/45/98/1082524598.db2.gz ZEMFCLYFZJBLBU-UONOGXRCSA-N 2 0 301.862 2.096 20 30 DEEDRP C#CCC[NH+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001272152257 1082607278 /nfs/dbraw/zinc/60/72/78/1082607278.db2.gz SBHSKZIVNAOIPD-GOSISDBHSA-N 2 0 315.461 2.093 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001272216876 1082677576 /nfs/dbraw/zinc/67/75/76/1082677576.db2.gz XYUSKCHZIOWHDC-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001491068819 1084046880 /nfs/dbraw/zinc/04/68/80/1084046880.db2.gz BWQFBQVEEPOMQQ-NCOADZHNSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491298167 1084220987 /nfs/dbraw/zinc/22/09/87/1084220987.db2.gz UTXFLZFDEAVJQO-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277937457 1084387684 /nfs/dbraw/zinc/38/76/84/1084387684.db2.gz FCNCTDVRAJSVBM-RHSMWYFYSA-N 2 0 313.461 2.212 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001078670055 1084802060 /nfs/dbraw/zinc/80/20/60/1084802060.db2.gz DJVBNWZAFWVNHK-HZPDHXFCSA-N 2 0 310.401 2.151 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486128221 1085094287 /nfs/dbraw/zinc/09/42/87/1085094287.db2.gz IYLUHEGRQCGJEF-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486246930 1085164047 /nfs/dbraw/zinc/16/40/47/1085164047.db2.gz VHLSUIQRPINGOG-HZPDHXFCSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001486376481 1085247901 /nfs/dbraw/zinc/24/79/01/1085247901.db2.gz FSMNFOFGJWVEBK-IRXDYDNUSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001486423325 1085296298 /nfs/dbraw/zinc/29/62/98/1085296298.db2.gz FZGHLQQHAOZRDS-DLBZAZTESA-N 2 0 321.509 2.251 20 30 DEEDRP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961181311 1085626918 /nfs/dbraw/zinc/62/69/18/1085626918.db2.gz JDAPGCMIWHGABT-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966075277 1085779582 /nfs/dbraw/zinc/77/95/82/1085779582.db2.gz KEUIACUVOFUYQP-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001493211119 1085894846 /nfs/dbraw/zinc/89/48/46/1085894846.db2.gz GMENGSQKIJJASL-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417583 1086448459 /nfs/dbraw/zinc/44/84/59/1086448459.db2.gz NXTXQIBUGDEVFH-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416433 1086448576 /nfs/dbraw/zinc/44/85/76/1086448576.db2.gz LHQQKCRSYZSGBH-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000963823439 1086569016 /nfs/dbraw/zinc/56/90/16/1086569016.db2.gz KMBUDLVDXAJZJS-HGWOHTHGSA-N 2 0 319.493 2.310 20 30 DEEDRP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001273143222 1086664929 /nfs/dbraw/zinc/66/49/29/1086664929.db2.gz DEJXMMURIBEQHY-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000957644853 1088493000 /nfs/dbraw/zinc/49/30/00/1088493000.db2.gz LCGJVIVGZYLLTE-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754312 1089174548 /nfs/dbraw/zinc/17/45/48/1089174548.db2.gz HDNAWRBULIOHDC-CRAIPNDOSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001082612336 1090020414 /nfs/dbraw/zinc/02/04/14/1090020414.db2.gz ICDMGFWJVRZWCD-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422027 1090285607 /nfs/dbraw/zinc/28/56/07/1090285607.db2.gz IVGJTYGRDAJEDN-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664342 1090376411 /nfs/dbraw/zinc/37/64/11/1090376411.db2.gz RORVATWDTPZXGM-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964763 1090550081 /nfs/dbraw/zinc/55/00/81/1090550081.db2.gz OYXQSGGZOLDTRQ-IKGGRYGDSA-N 2 0 307.482 2.072 20 30 DEEDRP C=CCCCCCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276043108 1091474528 /nfs/dbraw/zinc/47/45/28/1091474528.db2.gz TUTOTQMKSBOQOA-OALUTQOASA-N 2 0 323.525 2.460 20 30 DEEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001275183585 1091605439 /nfs/dbraw/zinc/60/54/39/1091605439.db2.gz GTSJKYCLQDRNPU-SJORKVTESA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673701 1091877834 /nfs/dbraw/zinc/87/78/34/1091877834.db2.gz GMWOOEDIUXNVJB-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542263 1091959131 /nfs/dbraw/zinc/95/91/31/1091959131.db2.gz FWOKOTYBJHMJCV-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001006442567 1092134815 /nfs/dbraw/zinc/13/48/15/1092134815.db2.gz JJDUTAIBBWRVEQ-HOTGVXAUSA-N 2 0 307.482 2.358 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001488805891 1092756549 /nfs/dbraw/zinc/75/65/49/1092756549.db2.gz WSAKIPOONIOKEO-KSZLIROESA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001489338074 1093025139 /nfs/dbraw/zinc/02/51/39/1093025139.db2.gz GXSSPXYHFOEJAB-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCC)[C@@H]2C)CC1 ZINC001489312238 1093035494 /nfs/dbraw/zinc/03/54/94/1093035494.db2.gz WWBJBWKNESMFLI-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001490348736 1093295656 /nfs/dbraw/zinc/29/56/56/1093295656.db2.gz HCIOFQPATAXARJ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001490598004 1093436804 /nfs/dbraw/zinc/43/68/04/1093436804.db2.gz DACMZELXZFPGRG-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001691732610 1138215901 /nfs/dbraw/zinc/21/59/01/1138215901.db2.gz LWMWLQHZOKVSHK-KRWDZBQOSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691738527 1138257934 /nfs/dbraw/zinc/25/79/34/1138257934.db2.gz KMLNDYZEZIQNKH-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C(C)C)C2 ZINC001096090728 1138278575 /nfs/dbraw/zinc/27/85/75/1138278575.db2.gz RMZRBUIZHJTPRP-PMPSAXMXSA-N 2 0 316.449 2.304 20 30 DEEDRP C=CCOc1ccc(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001236922613 1138457112 /nfs/dbraw/zinc/45/71/12/1138457112.db2.gz HKIFVVRGDMWFMI-SFHVURJKSA-N 2 0 317.477 2.367 20 30 DEEDRP CCc1cc(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)ccc1C#N ZINC001236931998 1138459429 /nfs/dbraw/zinc/45/94/29/1138459429.db2.gz KROWULPEPZHZMX-IBGZPJMESA-N 2 0 314.477 2.236 20 30 DEEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001236934662 1138462370 /nfs/dbraw/zinc/46/23/70/1138462370.db2.gz XXPXKZCXIZMJRU-INIZCTEOSA-N 2 0 320.868 2.327 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001294047598 1139082419 /nfs/dbraw/zinc/08/24/19/1139082419.db2.gz MIEVEYYOWSKEEY-SFHVURJKSA-N 2 0 315.461 2.400 20 30 DEEDRP N#Cc1c(F)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC001239921140 1139184355 /nfs/dbraw/zinc/18/43/55/1139184355.db2.gz UREIQULPHTVWQT-UHFFFAOYSA-N 2 0 300.312 2.308 20 30 DEEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001316668490 1140294789 /nfs/dbraw/zinc/29/47/89/1140294789.db2.gz IDXILUHHLKEJND-KRWDZBQOSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001491799932 1140314959 /nfs/dbraw/zinc/31/49/59/1140314959.db2.gz BBIKLSMGBJTWGT-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001318474058 1140342183 /nfs/dbraw/zinc/34/21/83/1140342183.db2.gz RBNXZOLUPNLNIN-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001318829252 1140429706 /nfs/dbraw/zinc/42/97/06/1140429706.db2.gz XQRNDOWEBBJMHC-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318838053 1140431553 /nfs/dbraw/zinc/43/15/53/1140431553.db2.gz SUFIZCGVYGMDDS-KRWDZBQOSA-N 2 0 321.509 2.206 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001319378886 1140559285 /nfs/dbraw/zinc/55/92/85/1140559285.db2.gz IHYHODDIXCYPGT-SJORKVTESA-N 2 0 317.477 2.045 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001319378572 1140560007 /nfs/dbraw/zinc/56/00/07/1140560007.db2.gz DHQQCPMRPYDLBO-SJORKVTESA-N 2 0 317.477 2.045 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001320184433 1140835909 /nfs/dbraw/zinc/83/59/09/1140835909.db2.gz AASHTEYKPRSSEO-QZTJIDSGSA-N 2 0 319.493 2.150 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245980007 1140841023 /nfs/dbraw/zinc/84/10/23/1140841023.db2.gz YXCRLZXIMPMHBZ-XWTMOSNGSA-N 2 0 312.498 2.312 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001245981090 1140841302 /nfs/dbraw/zinc/84/13/02/1140841302.db2.gz FPWOREOZKHCMME-GVDBMIGSSA-N 2 0 300.487 2.048 20 30 DEEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024266 1140848455 /nfs/dbraw/zinc/84/84/55/1140848455.db2.gz HDLGVFAUGWMFKU-FGTMMUONSA-N 2 0 312.498 2.408 20 30 DEEDRP CC[C@@H]1CC(NC(=[NH2+])c2ccc(C(=O)OC)cc2)C[C@@H](CC)[NH2+]1 ZINC001246302639 1140882890 /nfs/dbraw/zinc/88/28/90/1140882890.db2.gz BMAGHKOTIZINFC-HUUCEWRRSA-N 2 0 317.433 2.488 20 30 DEEDRP C[C@@H]1C[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246316783 1140883484 /nfs/dbraw/zinc/88/34/84/1140883484.db2.gz UDEPMJCLAJRINN-SJLPKXTDSA-N 2 0 312.461 2.275 20 30 DEEDRP N#Cc1ccc(CN([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246441558 1140899262 /nfs/dbraw/zinc/89/92/62/1140899262.db2.gz IYRQADKZAAWPLE-FHWLQOOXSA-N 2 0 312.461 2.382 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001321680480 1141327667 /nfs/dbraw/zinc/32/76/67/1141327667.db2.gz DWVJREGOSCETMN-OAHLLOKOSA-N 2 0 303.450 2.422 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001323114721 1141813762 /nfs/dbraw/zinc/81/37/62/1141813762.db2.gz UPWSFDDYODIOBT-IAGOWNOFSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001323657943 1141874561 /nfs/dbraw/zinc/87/45/61/1141874561.db2.gz GTINRUOTTWHWCA-NPYXIHBLSA-N 2 0 307.482 2.404 20 30 DEEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001323832224 1141890919 /nfs/dbraw/zinc/89/09/19/1141890919.db2.gz LUZBSYYGMUEYNN-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001278693560 1142840113 /nfs/dbraw/zinc/84/01/13/1142840113.db2.gz MXZBMUSGIOVFAW-GOSISDBHSA-N 2 0 307.482 2.267 20 30 DEEDRP CC(C)[N@H+](C)Cc1nn([C@H]2CC[C@@H](C#N)C2)c2c1CC[NH2+]C2 ZINC001254657673 1143301371 /nfs/dbraw/zinc/30/13/71/1143301371.db2.gz FAIRSBMEORORCP-KGLIPLIRSA-N 2 0 301.438 2.234 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccc(CC)cc1 ZINC001340924215 1143496236 /nfs/dbraw/zinc/49/62/36/1143496236.db2.gz XVYXHRICESZSPQ-QZTJIDSGSA-N 2 0 315.461 2.406 20 30 DEEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001256202454 1143834980 /nfs/dbraw/zinc/83/49/80/1143834980.db2.gz DZDHECAEFROFLX-SFHVURJKSA-N 2 0 321.465 2.191 20 30 DEEDRP C#CCCC1(CC[NH2+]C2CCC([NH+]3CCOCC3)CC2)N=N1 ZINC001256688783 1143862573 /nfs/dbraw/zinc/86/25/73/1143862573.db2.gz KKEHMXGFLVTPHT-UHFFFAOYSA-N 2 0 304.438 2.185 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001264125596 1144476473 /nfs/dbraw/zinc/47/64/73/1144476473.db2.gz NIOQDBJWTNAWLT-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001264154466 1144488721 /nfs/dbraw/zinc/48/87/21/1144488721.db2.gz YQGIMPFGXUORBA-AEFFLSMTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001264373061 1144517924 /nfs/dbraw/zinc/51/79/24/1144517924.db2.gz QWOXHEZFEADPQK-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001264429535 1144538550 /nfs/dbraw/zinc/53/85/50/1144538550.db2.gz QTILPBVTKGRKJV-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265390589 1144701702 /nfs/dbraw/zinc/70/17/02/1144701702.db2.gz ILHMMLDBECXJMN-IAGOWNOFSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001265458353 1144705127 /nfs/dbraw/zinc/70/51/27/1144705127.db2.gz TVLYPKJXHSOOFH-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265587142 1144715445 /nfs/dbraw/zinc/71/54/45/1144715445.db2.gz WWBRPQQEVMMZIA-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001265696631 1144729822 /nfs/dbraw/zinc/72/98/22/1144729822.db2.gz JGDULFMPUSUUAJ-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001266005760 1144783333 /nfs/dbraw/zinc/78/33/33/1144783333.db2.gz DDZDOVKXUBLKFG-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266067097 1144802281 /nfs/dbraw/zinc/80/22/81/1144802281.db2.gz IOZFQCLNDIAIJO-HZPDHXFCSA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001279624396 1144826310 /nfs/dbraw/zinc/82/63/10/1144826310.db2.gz JGBIXNBPJNEYSU-RCCFBDPRSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001281683061 1144907449 /nfs/dbraw/zinc/90/74/49/1144907449.db2.gz MIWPDTXBEBANDB-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[N@@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001281834068 1144916147 /nfs/dbraw/zinc/91/61/47/1144916147.db2.gz UDISNCCBFZOHJH-UHFFFAOYSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001282677790 1145122723 /nfs/dbraw/zinc/12/27/23/1145122723.db2.gz HOFWPDVZMDQGQP-KRWDZBQOSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001282860889 1145180540 /nfs/dbraw/zinc/18/05/40/1145180540.db2.gz KEULSLMXJLCTTG-LEUOFYLZSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001283340036 1145368756 /nfs/dbraw/zinc/36/87/56/1145368756.db2.gz FFGLGJQICMSLST-HOTGVXAUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491809702 1146929369 /nfs/dbraw/zinc/92/93/69/1146929369.db2.gz ZCSITBXBTQJYNG-CQSZACIVSA-N 2 0 321.490 2.438 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491890696 1146957946 /nfs/dbraw/zinc/95/79/46/1146957946.db2.gz FIKCHRIYMFGLDT-CVEARBPZSA-N 2 0 305.466 2.065 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492154679 1147102163 /nfs/dbraw/zinc/10/21/63/1147102163.db2.gz RJEKYEQLNQXQBK-QZTJIDSGSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492154678 1147102491 /nfs/dbraw/zinc/10/24/91/1147102491.db2.gz RJEKYEQLNQXQBK-MSOLQXFVSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001366288166 1147193869 /nfs/dbraw/zinc/19/38/69/1147193869.db2.gz OODVVXUQNYEIIE-ZFWWWQNUSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001317472206 1147435344 /nfs/dbraw/zinc/43/53/44/1147435344.db2.gz XNCWGTQIUOFMJR-UHFFFAOYSA-N 2 0 303.450 2.376 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316805885 1147603433 /nfs/dbraw/zinc/60/34/33/1147603433.db2.gz IAGYUDMHVRQQPJ-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001317099375 1147659411 /nfs/dbraw/zinc/65/94/11/1147659411.db2.gz CBDOBWKKZXXHSL-MSOLQXFVSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317113208 1147661234 /nfs/dbraw/zinc/66/12/34/1147661234.db2.gz IANHHHADZPGELL-IXDOHACOSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367223349 1147666170 /nfs/dbraw/zinc/66/61/70/1147666170.db2.gz WXXUZCFDVKKFMJ-SOUVJXGZSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317173663 1147670663 /nfs/dbraw/zinc/67/06/63/1147670663.db2.gz PWGNMICSBSGMJY-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317526397 1147720383 /nfs/dbraw/zinc/72/03/83/1147720383.db2.gz JERMEHZSEWGJLS-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001317708756 1147746179 /nfs/dbraw/zinc/74/61/79/1147746179.db2.gz NFJWKKMBKRVSSM-SFHVURJKSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001317714977 1147746495 /nfs/dbraw/zinc/74/64/95/1147746495.db2.gz KGWZAEZXBFRYDZ-IRXDYDNUSA-N 2 0 301.434 2.104 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317847423 1147757595 /nfs/dbraw/zinc/75/75/95/1147757595.db2.gz BXSDACVJXSDVBB-BBWFWOEESA-N 2 0 307.482 2.073 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001318209798 1147797697 /nfs/dbraw/zinc/79/76/97/1147797697.db2.gz PSYXOMONBJHHLP-YESZJQIVSA-N 2 0 307.482 2.336 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001324943367 1147860764 /nfs/dbraw/zinc/86/07/64/1147860764.db2.gz GWVDSKOZPULWNP-SJLPKXTDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325428829 1147907433 /nfs/dbraw/zinc/90/74/33/1147907433.db2.gz NKAWAVAFFURAFT-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001326603293 1148160037 /nfs/dbraw/zinc/16/00/37/1148160037.db2.gz KEHFCAGTSZTIPL-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCC1 ZINC001326831261 1148264838 /nfs/dbraw/zinc/26/48/38/1148264838.db2.gz ZAWIOGJQZMPCHA-UHFFFAOYSA-N 2 0 319.474 2.075 20 30 DEEDRP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001327212484 1148348600 /nfs/dbraw/zinc/34/86/00/1148348600.db2.gz IQWANWVGOBZJHA-DLBZAZTESA-N 2 0 309.498 2.463 20 30 DEEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189978269 186257995 /nfs/dbraw/zinc/25/79/95/186257995.db2.gz OXVVRPOXYOWSSB-INIZCTEOSA-N 2 0 300.450 2.189 20 30 DEEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])NC3CC3)cc2)C1 ZINC000066243147 354705655 /nfs/dbraw/zinc/70/56/55/354705655.db2.gz YICCBVIHDIRYFI-CQSZACIVSA-N 2 0 300.450 2.485 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](CC)CC)CC(C)C)CC1 ZINC000067209080 354752302 /nfs/dbraw/zinc/75/23/02/354752302.db2.gz AAIRGUVINUMMGM-UHFFFAOYSA-N 2 0 321.509 2.158 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC000073640454 354973184 /nfs/dbraw/zinc/97/31/84/354973184.db2.gz SAYZTJYOJMHGJS-QGZVFWFLSA-N 2 0 307.482 2.143 20 30 DEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950807 540368986 /nfs/dbraw/zinc/36/89/86/540368986.db2.gz JHXUGAQSEAISIK-QGZVFWFLSA-N 2 0 302.418 2.492 20 30 DEEDRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442781604 238074896 /nfs/dbraw/zinc/07/48/96/238074896.db2.gz JKZXMJQGCAWHIW-IAGOWNOFSA-N 2 0 301.434 2.451 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000606371267 361000328 /nfs/dbraw/zinc/00/03/28/361000328.db2.gz FZSGXOJGHJRDME-SJORKVTESA-N 2 0 307.482 2.286 20 30 DEEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000159991909 197378776 /nfs/dbraw/zinc/37/87/76/197378776.db2.gz VNDRVWAPJLYTRO-CQSZACIVSA-N 2 0 319.424 2.222 20 30 DEEDRP C=CC[C@@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000680484248 542011982 /nfs/dbraw/zinc/01/19/82/542011982.db2.gz IBUIAHGMELAFJW-SFHVURJKSA-N 2 0 317.477 2.245 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523188 184015174 /nfs/dbraw/zinc/01/51/74/184015174.db2.gz VHCIEPGFOUVEFP-MRXNPFEDSA-N 2 0 309.498 2.463 20 30 DEEDRP COCC#CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000682533823 542315339 /nfs/dbraw/zinc/31/53/39/542315339.db2.gz LNUMAQMGZRNXDK-DZFIZOCASA-N 2 0 300.446 2.382 20 30 DEEDRP C=CC[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121216173 402020885 /nfs/dbraw/zinc/02/08/85/402020885.db2.gz XKUAALUAHMMRTL-MRXNPFEDSA-N 2 0 315.461 2.274 20 30 DEEDRP Cc1ccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)cc1C ZINC000104183178 402199286 /nfs/dbraw/zinc/19/92/86/402199286.db2.gz HAZZDDXGZPHZED-UHFFFAOYSA-N 2 0 317.481 2.058 20 30 DEEDRP CC[NH+]=C(NCc1ccc(C)nc1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158495060 402306948 /nfs/dbraw/zinc/30/69/48/402306948.db2.gz XAAYOCYJVYHIGF-WMLDXEAASA-N 2 0 317.481 2.174 20 30 DEEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000185896120 402386992 /nfs/dbraw/zinc/38/69/92/402386992.db2.gz NEIVTSZYCVXKRZ-MNEFBYGVSA-N 2 0 313.445 2.425 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000236683857 402373935 /nfs/dbraw/zinc/37/39/35/402373935.db2.gz HIMOSHODQBGTOE-DLBZAZTESA-N 2 0 319.493 2.191 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000171565914 402595121 /nfs/dbraw/zinc/59/51/21/402595121.db2.gz PCLZUYSKRFWWCA-GOSISDBHSA-N 2 0 315.461 2.446 20 30 DEEDRP [NH2+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000179737784 402599129 /nfs/dbraw/zinc/59/91/29/402599129.db2.gz LATHFOLGVGIKMD-UHFFFAOYSA-N 2 0 301.438 2.099 20 30 DEEDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268693321 403106788 /nfs/dbraw/zinc/10/67/88/403106788.db2.gz PNXRYSQIJIDZTM-SFHVURJKSA-N 2 0 301.434 2.255 20 30 DEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346847612 403605634 /nfs/dbraw/zinc/60/56/34/403605634.db2.gz DJDRWVYJVZQQFJ-ARFHVFGLSA-N 2 0 302.418 2.429 20 30 DEEDRP C[NH+]1CCC(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000304467970 403793933 /nfs/dbraw/zinc/79/39/33/403793933.db2.gz CFQNZSDHFBSFKM-MRXNPFEDSA-N 2 0 316.449 2.146 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000361768008 403853724 /nfs/dbraw/zinc/85/37/24/403853724.db2.gz YEQKLRWTRKHEKQ-DOTOQJQBSA-N 2 0 322.497 2.151 20 30 DEEDRP C=CCC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332451 404060459 /nfs/dbraw/zinc/06/04/59/404060459.db2.gz UTTQMZAMWUOWMD-QRVBRYPASA-N 2 0 300.446 2.377 20 30 DEEDRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424154381 405023803 /nfs/dbraw/zinc/02/38/03/405023803.db2.gz LSFWELCAKWTGPE-HOCLYGCPSA-N 2 0 316.449 2.253 20 30 DEEDRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424157165 405025621 /nfs/dbraw/zinc/02/56/21/405025621.db2.gz PKXCWAZFXHGCLT-QGZVFWFLSA-N 2 0 316.449 2.164 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415980561 404993238 /nfs/dbraw/zinc/99/32/38/404993238.db2.gz SRHMSVDVJXSMQE-UHFFFAOYSA-N 2 0 302.422 2.307 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000445096796 405344952 /nfs/dbraw/zinc/34/49/52/405344952.db2.gz WJTXQMXXJYFZBD-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367103 405779811 /nfs/dbraw/zinc/77/98/11/405779811.db2.gz CXQWLDDJYHVGPU-HNAYVOBHSA-N 2 0 312.461 2.253 20 30 DEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CCCC[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000565697514 406081354 /nfs/dbraw/zinc/08/13/54/406081354.db2.gz LMBNFIVDZADMEI-BDXSIMOUSA-N 2 0 308.466 2.413 20 30 DEEDRP C#CCNC(=O)CC[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000491121152 406530110 /nfs/dbraw/zinc/53/01/10/406530110.db2.gz OYNXKDJKZKRKPK-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)c1 ZINC000267383906 225357012 /nfs/dbraw/zinc/35/70/12/225357012.db2.gz BGJGJVRVUCKPEA-UHFFFAOYSA-N 2 0 304.438 2.141 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898557 782030966 /nfs/dbraw/zinc/03/09/66/782030966.db2.gz KMPJTFULIWNZRQ-IXDOHACOSA-N 2 0 307.482 2.404 20 30 DEEDRP FC1(F)C[C@@]12CC[NH+](CC#CC[N@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC000649908109 425099716 /nfs/dbraw/zinc/09/97/16/425099716.db2.gz HAEZHNQQUBPGEI-ZIAGYGMSSA-N 2 0 316.342 2.452 20 30 DEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655427 425194955 /nfs/dbraw/zinc/19/49/55/425194955.db2.gz MIQMHQHJTCYEHZ-SJLPKXTDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC000662673600 425709730 /nfs/dbraw/zinc/70/97/30/425709730.db2.gz OKBQOXLSOVPPCQ-GOSISDBHSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[C@]1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000662674979 425709782 /nfs/dbraw/zinc/70/97/82/425709782.db2.gz HZNAMIKSPQDVGZ-GOSISDBHSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)C(C)C ZINC000662681615 425712642 /nfs/dbraw/zinc/71/26/42/425712642.db2.gz KEZXHABDHQPMPH-JKSUJKDBSA-N 2 0 307.482 2.189 20 30 DEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cn2)CC1 ZINC000192645189 277113114 /nfs/dbraw/zinc/11/31/14/277113114.db2.gz GMSQCJDMZAGZMH-NVXWUHKLSA-N 2 0 313.449 2.005 20 30 DEEDRP CC1(C#N)CC[NH+](CCOCC[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000356433889 278171304 /nfs/dbraw/zinc/17/13/04/278171304.db2.gz MTRLUOIIVZCOMR-UHFFFAOYSA-N 2 0 318.465 2.254 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccnc1)C(C)C ZINC000267595750 279329874 /nfs/dbraw/zinc/32/98/74/279329874.db2.gz VZEDGSNCWQRILI-IRXDYDNUSA-N 2 0 317.481 2.210 20 30 DEEDRP C=CC[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001329761360 1148989302 /nfs/dbraw/zinc/98/93/02/1148989302.db2.gz LIFFSHRZXZTNHD-QGZVFWFLSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001378483050 1152346079 /nfs/dbraw/zinc/34/60/79/1152346079.db2.gz JSWMDNIGJAHAKA-HNNXBMFYSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001330084373 1149047529 /nfs/dbraw/zinc/04/75/29/1149047529.db2.gz FSPYSXLOJCFFIF-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001400861731 1161836630 /nfs/dbraw/zinc/83/66/30/1161836630.db2.gz XEWJYVSWXGBTDU-LSDHHAIUSA-N 2 0 315.889 2.486 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001330295496 1149088267 /nfs/dbraw/zinc/08/82/67/1149088267.db2.gz FZWONIMTXIYQBL-OSYLJGHBSA-N 2 0 319.493 2.121 20 30 DEEDRP COc1ccccc1CNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000181499905 534075613 /nfs/dbraw/zinc/07/56/13/534075613.db2.gz ZLAAPKCAHUCJPA-HNNXBMFYSA-N 2 0 318.465 2.364 20 30 DEEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261730935 526349230 /nfs/dbraw/zinc/34/92/30/526349230.db2.gz YEGYFSDMIFAECC-HOTGVXAUSA-N 2 0 324.513 2.041 20 30 DEEDRP C[NH+]=C(NCc1scnc1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262423339 526393625 /nfs/dbraw/zinc/39/36/25/526393625.db2.gz BTXSKHFBTHBEQT-AWEZNQCLSA-N 2 0 321.494 2.087 20 30 DEEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262358834 526394996 /nfs/dbraw/zinc/39/49/96/526394996.db2.gz GKQWDMQVWNFJHD-GUDVDZBRSA-N 2 0 324.472 2.139 20 30 DEEDRP CC(C)CCNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000104163108 527721885 /nfs/dbraw/zinc/72/18/85/527721885.db2.gz UZTRGITYAWTISI-UHFFFAOYSA-N 2 0 306.454 2.077 20 30 DEEDRP CC[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CCc2ccccc21 ZINC000263241334 528813308 /nfs/dbraw/zinc/81/33/08/528813308.db2.gz LHFSHIPHOSYMJP-AWEZNQCLSA-N 2 0 300.450 2.497 20 30 DEEDRP CCOCc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000264073628 529063727 /nfs/dbraw/zinc/06/37/27/529063727.db2.gz DXSMYRWUBZIVHY-KRWDZBQOSA-N 2 0 318.465 2.112 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000264084330 529074622 /nfs/dbraw/zinc/07/46/22/529074622.db2.gz JETITODGKCHTQX-MRXNPFEDSA-N 2 0 318.465 2.362 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc2cccnc21 ZINC000264077913 529100512 /nfs/dbraw/zinc/10/05/12/529100512.db2.gz GGUNNFLJBULYHU-INIZCTEOSA-N 2 0 311.433 2.123 20 30 DEEDRP CCO[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000194581305 529112700 /nfs/dbraw/zinc/11/27/00/529112700.db2.gz AEJNCCZMWSKMGO-SJORKVTESA-N 2 0 318.465 2.153 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678319 625384281 /nfs/dbraw/zinc/38/42/81/625384281.db2.gz SKYDHZVQTVWWPL-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001026385492 625393536 /nfs/dbraw/zinc/39/35/36/625393536.db2.gz CAIHVLUFDBKVQH-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026592601 625549474 /nfs/dbraw/zinc/54/94/74/625549474.db2.gz HYXJNIZWWJQVSU-WLYUNCDWSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001026610866 625559132 /nfs/dbraw/zinc/55/91/32/625559132.db2.gz WNRDEBNKZMCMKJ-OFLPRAFFSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969118528 622573545 /nfs/dbraw/zinc/57/35/45/622573545.db2.gz RAMKSIFDTBIUNH-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970673157 623608548 /nfs/dbraw/zinc/60/85/48/623608548.db2.gz PQVUFMPDTJEQGZ-HNNXBMFYSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970785859 623681014 /nfs/dbraw/zinc/68/10/14/623681014.db2.gz JAUCWGHXLKCDPK-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021633775 623867791 /nfs/dbraw/zinc/86/77/91/623867791.db2.gz TYIIIYZCWHDSLG-CRAIPNDOSA-N 2 0 324.428 2.447 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008539400 625694955 /nfs/dbraw/zinc/69/49/55/625694955.db2.gz KCIRYRLUDXHGST-SFHVURJKSA-N 2 0 315.461 2.171 20 30 DEEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971667007 624498018 /nfs/dbraw/zinc/49/80/18/624498018.db2.gz HCPULRAXLIBGLO-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005501 624766234 /nfs/dbraw/zinc/76/62/34/624766234.db2.gz MLXNQHVSNKYAKN-QGZVFWFLSA-N 2 0 315.461 2.123 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342021 625220985 /nfs/dbraw/zinc/22/09/85/625220985.db2.gz CWPQEBWWXNWJHT-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972551428 625231673 /nfs/dbraw/zinc/23/16/73/625231673.db2.gz JSXURQNNKCCZFW-GOSISDBHSA-N 2 0 315.461 2.471 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999400883 634579191 /nfs/dbraw/zinc/57/91/91/634579191.db2.gz MKCNSQSZPMICST-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])N2CCCCC2)cc1 ZINC000104193806 634599570 /nfs/dbraw/zinc/59/95/70/634599570.db2.gz GBXZWQVRQDQUQQ-UHFFFAOYSA-N 2 0 318.465 2.318 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001000183424 634780881 /nfs/dbraw/zinc/78/08/81/634780881.db2.gz JUIYVMLIPIVGQG-AWEZNQCLSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996725447 633376170 /nfs/dbraw/zinc/37/61/70/633376170.db2.gz HMEFCHBUYDIQPS-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027442347 633795977 /nfs/dbraw/zinc/79/59/77/633795977.db2.gz SBRHBHFMXIRFIW-OAHLLOKOSA-N 2 0 313.873 2.146 20 30 DEEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998013179 634111680 /nfs/dbraw/zinc/11/16/80/634111680.db2.gz PTXRAQDSMTYPMH-KZNAEPCWSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980138375 634858184 /nfs/dbraw/zinc/85/81/84/634858184.db2.gz DKBLICRWCOZKOW-BBWFWOEESA-N 2 0 324.428 2.351 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027925250 634980319 /nfs/dbraw/zinc/98/03/19/634980319.db2.gz QIWMGVOPAWWSSO-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981200411 635363139 /nfs/dbraw/zinc/36/31/39/635363139.db2.gz SDXZHCONXVQQKW-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000981297249 635426693 /nfs/dbraw/zinc/42/66/93/635426693.db2.gz PCXQZHFZDKKFFR-HUUCEWRRSA-N 2 0 305.422 2.158 20 30 DEEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001228867 635431333 /nfs/dbraw/zinc/43/13/33/635431333.db2.gz FPYVMIHRWYSJIL-KRWDZBQOSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001367765 635479046 /nfs/dbraw/zinc/47/90/46/635479046.db2.gz COFSJJJCNXOYGB-ROUUACIJSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001367766 635479073 /nfs/dbraw/zinc/47/90/73/635479073.db2.gz COFSJJJCNXOYGB-ZWKOTPCHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001001404157 635488066 /nfs/dbraw/zinc/48/80/66/635488066.db2.gz GZABJMDKRJMXEL-ZWKOTPCHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001001466432 635502381 /nfs/dbraw/zinc/50/23/81/635502381.db2.gz HKIKJSOOKOLTKK-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001001521818 635521281 /nfs/dbraw/zinc/52/12/81/635521281.db2.gz JTSNHLDAWPEDFF-DLBZAZTESA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981764715 635634143 /nfs/dbraw/zinc/63/41/43/635634143.db2.gz AAVACIXFGBVHAC-QGZVFWFLSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981806298 635664056 /nfs/dbraw/zinc/66/40/56/635664056.db2.gz PJTQJFHZRJMVQN-KRWDZBQOSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981958523 635765096 /nfs/dbraw/zinc/76/50/96/635765096.db2.gz MFLHVIYLQNVWCK-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081607 635863817 /nfs/dbraw/zinc/86/38/17/635863817.db2.gz UQLBLZKDJDHIMP-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003012744 635881358 /nfs/dbraw/zinc/88/13/58/635881358.db2.gz ZWSZUGKNLOJEDR-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000982163489 635890595 /nfs/dbraw/zinc/89/05/95/635890595.db2.gz CJKWYFLNXFZKAI-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574496 635940833 /nfs/dbraw/zinc/94/08/33/635940833.db2.gz FQXSVJMCSVTBGB-HOTGVXAUSA-N 2 0 300.450 2.105 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631638 636494757 /nfs/dbraw/zinc/49/47/57/636494757.db2.gz RJWTXYKJUDTDKF-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624874 636510369 /nfs/dbraw/zinc/51/03/69/636510369.db2.gz IVMDHKZPCMKEHM-QGZVFWFLSA-N 2 0 319.493 2.267 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028646400 636544883 /nfs/dbraw/zinc/54/48/83/636544883.db2.gz WBALIRTZRFMRKC-OAHLLOKOSA-N 2 0 312.417 2.271 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028755819 636703388 /nfs/dbraw/zinc/70/33/88/636703388.db2.gz VMSOTOFRLVUUDG-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028902281 636832087 /nfs/dbraw/zinc/83/20/87/636832087.db2.gz SLGRWUYUIWWQHY-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000985653526 639564401 /nfs/dbraw/zinc/56/44/01/639564401.db2.gz WJRDRWPLMASUCW-AWEZNQCLSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000986566030 639935335 /nfs/dbraw/zinc/93/53/35/639935335.db2.gz KZYDMKXQXFOFMR-DOMZBBRYSA-N 2 0 318.808 2.279 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000987122184 640092861 /nfs/dbraw/zinc/09/28/61/640092861.db2.gz CHZJVPUDQIPLSI-DZGCQCFKSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000987330813 640168833 /nfs/dbraw/zinc/16/88/33/640168833.db2.gz VSUBHPMOLCZGPB-CRAIPNDOSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000987592107 640231260 /nfs/dbraw/zinc/23/12/60/640231260.db2.gz YKITTWQKOPBZPE-GDBMZVCRSA-N 2 0 319.449 2.500 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000764464788 640640169 /nfs/dbraw/zinc/64/01/69/640640169.db2.gz RMPFUIUPSXWXNJ-SFHVURJKSA-N 2 0 315.461 2.366 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989107780 640721851 /nfs/dbraw/zinc/72/18/51/640721851.db2.gz BBDJMZSBNXXVDN-OCCSQVGLSA-N 2 0 318.808 2.279 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989449011 640991873 /nfs/dbraw/zinc/99/18/73/640991873.db2.gz BLHMLDUKNMORQF-QAPCUYQASA-N 2 0 315.461 2.169 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989825580 641248601 /nfs/dbraw/zinc/24/86/01/641248601.db2.gz HRXBSGFHDXJMAX-WMLDXEAASA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000900354682 642337241 /nfs/dbraw/zinc/33/72/41/642337241.db2.gz KHFXOSJEPUTNIC-UHFFFAOYSA-N 2 0 321.440 2.224 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000900405869 642359352 /nfs/dbraw/zinc/35/93/52/642359352.db2.gz LIFPPBWSWOOCRT-HNNXBMFYSA-N 2 0 307.438 2.287 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc(OCC[NH+](CC)CC)c1 ZINC000907089875 644445328 /nfs/dbraw/zinc/44/53/28/644445328.db2.gz VYLYOGNWSBFWMB-UHFFFAOYSA-N 2 0 319.449 2.464 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000908230551 644788691 /nfs/dbraw/zinc/78/86/91/644788691.db2.gz PCCKNMIOFWIHMD-SJLPKXTDSA-N 2 0 315.461 2.274 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000813531685 646783280 /nfs/dbraw/zinc/78/32/80/646783280.db2.gz LWAAGHGJDNCQJB-WBVHZDCISA-N 2 0 303.450 2.220 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992149868 646874288 /nfs/dbraw/zinc/87/42/88/646874288.db2.gz OEIDLEFWLWIASP-ZIFCJYIRSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992284818 646929089 /nfs/dbraw/zinc/92/90/89/646929089.db2.gz LZEFNMBTGBFOFA-HKUYNNGSSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000992783297 647246407 /nfs/dbraw/zinc/24/64/07/647246407.db2.gz CPLVJZFTEJKLQZ-KZNAEPCWSA-N 2 0 319.493 2.121 20 30 DEEDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000818952903 647547801 /nfs/dbraw/zinc/54/78/01/647547801.db2.gz BQXXNQOQNBXNMK-IBGZPJMESA-N 2 0 309.413 2.443 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761274 647738018 /nfs/dbraw/zinc/73/80/18/647738018.db2.gz OKTJQIIVPFIQTM-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP [NH2+]=C(NCC1CCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179737958 648414018 /nfs/dbraw/zinc/41/40/18/648414018.db2.gz AUTFIKZQOBUHLP-UHFFFAOYSA-N 2 0 301.438 2.002 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736140 648934756 /nfs/dbraw/zinc/93/47/56/648934756.db2.gz AGUHQUWOGXOREE-IAGOWNOFSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837427 648954000 /nfs/dbraw/zinc/95/40/00/648954000.db2.gz UEVKHFOLAJNANL-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865439 648958311 /nfs/dbraw/zinc/95/83/11/648958311.db2.gz ZBFKYVLKRQYNTL-MRXNPFEDSA-N 2 0 319.493 2.408 20 30 DEEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCSCC1 ZINC000304756520 685259856 /nfs/dbraw/zinc/25/98/56/685259856.db2.gz NRVMBPMBKFXAAH-INIZCTEOSA-N 2 0 324.538 2.395 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001054099463 693843727 /nfs/dbraw/zinc/84/37/27/693843727.db2.gz IWAKHCQZUIJUCE-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054141559 693861444 /nfs/dbraw/zinc/86/14/44/693861444.db2.gz MGYLTLBJXZLASV-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCSCC1)CC(C)C ZINC000303769782 685233051 /nfs/dbraw/zinc/23/30/51/685233051.db2.gz BDIJEEPIWYDGGO-CQSZACIVSA-N 2 0 300.516 2.106 20 30 DEEDRP CCOCCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000303789017 685235295 /nfs/dbraw/zinc/23/52/95/685235295.db2.gz UYZOSXCNPJZAGN-CQSZACIVSA-N 2 0 324.494 2.216 20 30 DEEDRP C[C@H]1CCC[N@H+](CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303868917 685236848 /nfs/dbraw/zinc/23/68/48/685236848.db2.gz APZCWWOTNJAEEP-INIZCTEOSA-N 2 0 302.466 2.426 20 30 DEEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+](C)C1CC1 ZINC000303979033 685241056 /nfs/dbraw/zinc/24/10/56/685241056.db2.gz MSJJATIDZKFJDT-GFCCVEGCSA-N 2 0 318.421 2.057 20 30 DEEDRP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000929790790 694027758 /nfs/dbraw/zinc/02/77/58/694027758.db2.gz MXNOBQSGCDWHTE-QGZVFWFLSA-N 2 0 313.445 2.270 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001054826547 694054459 /nfs/dbraw/zinc/05/44/59/694054459.db2.gz MEIBTNKLUBVINJ-GUYCJALGSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016619873 687666797 /nfs/dbraw/zinc/66/67/97/687666797.db2.gz DOFABUDESJTXBW-INIZCTEOSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016709945 687687939 /nfs/dbraw/zinc/68/79/39/687687939.db2.gz NXGGFXMAFKWCTP-KRWDZBQOSA-N 2 0 324.428 2.495 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016931962 687736499 /nfs/dbraw/zinc/73/64/99/687736499.db2.gz ZFHLVXGCKUGULX-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016985948 687749450 /nfs/dbraw/zinc/74/94/50/687749450.db2.gz NDQORFFLEMPQRX-SJORKVTESA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001018851078 688243830 /nfs/dbraw/zinc/24/38/30/688243830.db2.gz KIVNUOSHDOANAT-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918911 689020442 /nfs/dbraw/zinc/02/04/42/689020442.db2.gz WBKSEMPNHOJYFS-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033076743 689378491 /nfs/dbraw/zinc/37/84/91/689378491.db2.gz OBMGFSSYRJZMCV-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571226 689547323 /nfs/dbraw/zinc/54/73/23/689547323.db2.gz MOXFTSYIWHBAEQ-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033835111 689631037 /nfs/dbraw/zinc/63/10/37/689631037.db2.gz MWMLSWYWLDJULF-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033884049 689650157 /nfs/dbraw/zinc/65/01/57/689650157.db2.gz XAEVJKHOQWOBNR-MRXNPFEDSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204706 689761865 /nfs/dbraw/zinc/76/18/65/689761865.db2.gz PGFAGKGBDDVCGF-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250740 689780459 /nfs/dbraw/zinc/78/04/59/689780459.db2.gz SDVQXAKMFSRRKI-MSOLQXFVSA-N 2 0 319.493 2.243 20 30 DEEDRP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001034370526 689826370 /nfs/dbraw/zinc/82/63/70/689826370.db2.gz XMKJPXYKWWZDRY-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034394579 689833040 /nfs/dbraw/zinc/83/30/40/689833040.db2.gz PJTGJBIYELLQNX-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001034642527 689917254 /nfs/dbraw/zinc/91/72/54/689917254.db2.gz GPEUMMBOOMMYOJ-BRSBDYLESA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000876732416 689919759 /nfs/dbraw/zinc/91/97/59/689919759.db2.gz VMLMAZVRPVQHJS-HUUCEWRRSA-N 2 0 309.841 2.184 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000876735027 689920589 /nfs/dbraw/zinc/92/05/89/689920589.db2.gz YEXUIRWUKNBZFR-CORIIIEPSA-N 2 0 301.862 2.083 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001034676392 689924975 /nfs/dbraw/zinc/92/49/75/689924975.db2.gz YIDYTARQWCWKKD-QAETUUGQSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034733837 689936351 /nfs/dbraw/zinc/93/63/51/689936351.db2.gz DUJGMHUJUCCOCE-BPLDGKMQSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035743851 690165831 /nfs/dbraw/zinc/16/58/31/690165831.db2.gz RPEWKQJHUVTCAV-UHFFFAOYSA-N 2 0 310.401 2.058 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001036056933 690248544 /nfs/dbraw/zinc/24/85/44/690248544.db2.gz WTNDQCSOKMVEEM-WFASDCNBSA-N 2 0 313.873 2.050 20 30 DEEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001036093709 690258822 /nfs/dbraw/zinc/25/88/22/690258822.db2.gz FWHDJNNJRJLYSS-RDJZCZTQSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820902 690486706 /nfs/dbraw/zinc/48/67/06/690486706.db2.gz QLNAPZIDMKSXMQ-SJORKVTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833446 690491975 /nfs/dbraw/zinc/49/19/75/690491975.db2.gz UFUQEUGKMTTZJU-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036852678 690499310 /nfs/dbraw/zinc/49/93/10/690499310.db2.gz HVOJRAWQTBZDNG-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1CC ZINC001037869780 690628190 /nfs/dbraw/zinc/62/81/90/690628190.db2.gz POVUXSQZUQQLNZ-MAUKXSAKSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001037886943 690633157 /nfs/dbraw/zinc/63/31/57/690633157.db2.gz VKYGMOXANGORMT-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001039394235 691097121 /nfs/dbraw/zinc/09/71/21/691097121.db2.gz PJJOWYGTIDQTHV-IXDOHACOSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040114376 691199505 /nfs/dbraw/zinc/19/95/05/691199505.db2.gz KGXDNCQGYBWPPK-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001040849720 691292577 /nfs/dbraw/zinc/29/25/77/691292577.db2.gz UXBXJOJBKHRRPU-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477234 691382265 /nfs/dbraw/zinc/38/22/65/691382265.db2.gz ZOWGMHKHOJWJRD-LJQANCHMSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883169822 691447039 /nfs/dbraw/zinc/44/70/39/691447039.db2.gz FAQNEOQUTCQWPC-IPMKNSEASA-N 2 0 323.525 2.362 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234951 691543128 /nfs/dbraw/zinc/54/31/28/691543128.db2.gz PVBZUDKORXIUEC-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001044682383 691871954 /nfs/dbraw/zinc/87/19/54/691871954.db2.gz PTTIVLMOOMBHAN-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044741683 691880549 /nfs/dbraw/zinc/88/05/49/691880549.db2.gz CMLWAZOLJQSUKR-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001044877678 691901692 /nfs/dbraw/zinc/90/16/92/691901692.db2.gz KBDBZECEMWXNAW-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045984706 692069461 /nfs/dbraw/zinc/06/94/61/692069461.db2.gz HFGSROJXVZMROF-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046485665 692201770 /nfs/dbraw/zinc/20/17/70/692201770.db2.gz CKITUOUYBDQTSB-SFHVURJKSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001048849644 692709854 /nfs/dbraw/zinc/70/98/54/692709854.db2.gz ORNQKCNEUYYIDF-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048871147 692713897 /nfs/dbraw/zinc/71/38/97/692713897.db2.gz JOETZUXGOJSNBF-KSZLIROESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049515030 692907938 /nfs/dbraw/zinc/90/79/38/692907938.db2.gz LCQVNRAUIMOMGP-IAGOWNOFSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049549767 692918647 /nfs/dbraw/zinc/91/86/47/692918647.db2.gz ISXYBHLZRXFOFG-ZACQAIPSSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049560329 692921626 /nfs/dbraw/zinc/92/16/26/692921626.db2.gz XONMCMAGCZMLNT-BBWFWOEESA-N 2 0 305.466 2.112 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595039 692935206 /nfs/dbraw/zinc/93/52/06/692935206.db2.gz RJANZZREHNCGPR-MSOLQXFVSA-N 2 0 322.412 2.037 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049713551 692973100 /nfs/dbraw/zinc/97/31/00/692973100.db2.gz ZGXFRJNHUXBAJC-GVDBMIGSSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049763772 692992344 /nfs/dbraw/zinc/99/23/44/692992344.db2.gz YOSAUIULJFYFFY-MSOLQXFVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049920600 693048143 /nfs/dbraw/zinc/04/81/43/693048143.db2.gz SOLDRGAYBIHKDW-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001050118890 693113045 /nfs/dbraw/zinc/11/30/45/693113045.db2.gz FQBPHCFQJFQXSJ-OKZBNKHCSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001050668200 693228264 /nfs/dbraw/zinc/22/82/64/693228264.db2.gz KJYZNCCOBSFALV-AWEZNQCLSA-N 2 0 313.873 2.004 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001050688764 693232794 /nfs/dbraw/zinc/23/27/94/693232794.db2.gz AHYKKXWYSCRXOT-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052370017 693517425 /nfs/dbraw/zinc/51/74/25/693517425.db2.gz XVPOWXHVAGSLGT-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052497496 693549817 /nfs/dbraw/zinc/54/98/17/693549817.db2.gz CIWLRGCEAJDFOZ-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052516818 693555497 /nfs/dbraw/zinc/55/54/97/693555497.db2.gz RPZWLBRUDLPTJC-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052652037 693589004 /nfs/dbraw/zinc/58/90/04/693589004.db2.gz RLAGAKLKNZEJBU-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765191 693615092 /nfs/dbraw/zinc/61/50/92/693615092.db2.gz WYOJYHPOEACKTC-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052866018 693637093 /nfs/dbraw/zinc/63/70/93/693637093.db2.gz UDFDZTCVHWZCSC-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001332272973 1149843172 /nfs/dbraw/zinc/84/31/72/1149843172.db2.gz UIAOGWDMNKECGP-HIFRSBDPSA-N 2 0 321.490 2.484 20 30 DEEDRP C[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C[NH+]1CCCC1 ZINC001345607423 1150898981 /nfs/dbraw/zinc/89/89/81/1150898981.db2.gz XVENXRUOAKVDDL-OAHLLOKOSA-N 2 0 314.433 2.208 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001391730417 1156751704 /nfs/dbraw/zinc/75/17/04/1156751704.db2.gz RFYMOQUHLWYEBR-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001393660654 1157895763 /nfs/dbraw/zinc/89/57/63/1157895763.db2.gz UCBMEMQTLFIAPV-CQSZACIVSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496102921 1158171160 /nfs/dbraw/zinc/17/11/60/1158171160.db2.gz JJFVUKVQCKOJSY-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001375757970 1158862989 /nfs/dbraw/zinc/86/29/89/1158862989.db2.gz AGKPMEALBGTPHC-CABCVRRESA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001375924686 1158985131 /nfs/dbraw/zinc/98/51/31/1158985131.db2.gz QNLYSYWFKRPMNG-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001376790262 1159800722 /nfs/dbraw/zinc/80/07/22/1159800722.db2.gz VEXQBMBYCRFYGK-AWEZNQCLSA-N 2 0 323.868 2.251 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001376979707 1159862903 /nfs/dbraw/zinc/86/29/03/1159862903.db2.gz KDGHZHMTHANZBZ-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001401240679 1161901972 /nfs/dbraw/zinc/90/19/72/1161901972.db2.gz MDBYNBLMIWSCCJ-ZDUSSCGKSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001401328582 1161930963 /nfs/dbraw/zinc/93/09/63/1161930963.db2.gz CHAZOEJCUHJKES-KGLIPLIRSA-N 2 0 303.878 2.056 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC001401833437 1162148874 /nfs/dbraw/zinc/14/88/74/1162148874.db2.gz WJTNAZFUSZFWMH-CABCVRRESA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402170966 1162273478 /nfs/dbraw/zinc/27/34/78/1162273478.db2.gz IWMBHQGJOXQYJI-HOCLYGCPSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001405370363 1164066250 /nfs/dbraw/zinc/06/62/50/1164066250.db2.gz NIZDKVVPDYQLTH-GJZGRUSLSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001418654412 1167865700 /nfs/dbraw/zinc/86/57/00/1167865700.db2.gz AZNCZIGGSUOKMD-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001419330401 1168405789 /nfs/dbraw/zinc/40/57/89/1168405789.db2.gz BMVVCXOJQJOGBX-HNNXBMFYSA-N 2 0 315.889 2.250 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001424840170 1173978296 /nfs/dbraw/zinc/97/82/96/1173978296.db2.gz KGFFNYOTJMXLCP-CABCVRRESA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001436760670 1179222162 /nfs/dbraw/zinc/22/21/62/1179222162.db2.gz GSQJRVXRZDDGFI-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001437921904 1180079876 /nfs/dbraw/zinc/07/98/76/1180079876.db2.gz HWOGYXPEDGGYIV-CQSZACIVSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001439480050 1181106306 /nfs/dbraw/zinc/10/63/06/1181106306.db2.gz MKHGVOHZHOCWCR-CQSZACIVSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441551868 1182055639 /nfs/dbraw/zinc/05/56/39/1182055639.db2.gz VBVPDOYWBRYGKZ-ZNMIVQPWSA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001447550046 1184808007 /nfs/dbraw/zinc/80/80/07/1184808007.db2.gz NRBJSONMLJQUND-CQSZACIVSA-N 2 0 315.889 2.296 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001331926959 1149778219 /nfs/dbraw/zinc/77/82/19/1149778219.db2.gz RBNYKFILPZRDSK-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850104 790272968 /nfs/dbraw/zinc/27/29/68/790272968.db2.gz RAIKXTLBYMWIFG-SJORKVTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898219 790293642 /nfs/dbraw/zinc/29/36/42/790293642.db2.gz OHDSEDRDYMITST-UHFFFAOYSA-N 2 0 310.401 2.058 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249432 782570289 /nfs/dbraw/zinc/57/02/89/782570289.db2.gz HMZAVXXOFJBTQX-BRWVUGGUSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106371310 782673668 /nfs/dbraw/zinc/67/36/68/782673668.db2.gz WMQRXNYEYYDFOU-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234371 782788548 /nfs/dbraw/zinc/78/85/48/782788548.db2.gz IUKMJZYCOZIUFF-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106582513 782795232 /nfs/dbraw/zinc/79/52/32/782795232.db2.gz DVPZHFOTXCUDOY-VSZNYVQBSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001333398524 1150044843 /nfs/dbraw/zinc/04/48/43/1150044843.db2.gz AHJQIHNFERVFHO-IRXDYDNUSA-N 2 0 319.493 2.431 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947471408 783146387 /nfs/dbraw/zinc/14/63/87/783146387.db2.gz BTTDIYCMBBJVQT-ZBFHGGJFSA-N 2 0 324.428 2.249 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001073118057 790469318 /nfs/dbraw/zinc/46/93/18/790469318.db2.gz DRFZHTHRIVCLMU-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385650 776980067 /nfs/dbraw/zinc/98/00/67/776980067.db2.gz MJTYTQGDNHWYQJ-KRWDZBQOSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676377 778016034 /nfs/dbraw/zinc/01/60/34/778016034.db2.gz HHQCWYOJDCWZGO-IXDOHACOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104684127 778021189 /nfs/dbraw/zinc/02/11/89/778021189.db2.gz YDXCSRMVMXZTHL-IAGOWNOFSA-N 2 0 321.509 2.062 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001104690694 778025631 /nfs/dbraw/zinc/02/56/31/778025631.db2.gz IWRNLWIAOYSUTJ-YUELXQCFSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001112531686 778655071 /nfs/dbraw/zinc/65/50/71/778655071.db2.gz LQYFFQBFDWEGLU-LPHOPBHVSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636127 779388252 /nfs/dbraw/zinc/38/82/52/779388252.db2.gz BDJPPJUAVAPILH-RCCFBDPRSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999624 779624529 /nfs/dbraw/zinc/62/45/29/779624529.db2.gz UVNRUFFPWREMPE-FGTMMUONSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212784 779775990 /nfs/dbraw/zinc/77/59/90/779775990.db2.gz PMWCXJOMTQFWKX-FGTMMUONSA-N 2 0 319.493 2.073 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001088325843 779956535 /nfs/dbraw/zinc/95/65/35/779956535.db2.gz ADERZDHAFBWLQH-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088326810 779960934 /nfs/dbraw/zinc/96/09/34/779960934.db2.gz YAYFWMIYGDBHNG-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105561751 780764839 /nfs/dbraw/zinc/76/48/39/780764839.db2.gz QYUKBUOVVZMHFF-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168302046 780814244 /nfs/dbraw/zinc/81/42/44/780814244.db2.gz HJHCHXDTPOCCCN-UHFFFAOYSA-N 2 0 307.482 2.315 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088710372 780883184 /nfs/dbraw/zinc/88/31/84/780883184.db2.gz KPOGZBOHKJEMCK-PBHICJAKSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088810329 781022113 /nfs/dbraw/zinc/02/21/13/781022113.db2.gz YCDDTAWYFIZGBN-ZACQAIPSSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521117 781048929 /nfs/dbraw/zinc/04/89/29/781048929.db2.gz QYBIELDMOMDBEW-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908662 783265800 /nfs/dbraw/zinc/26/58/00/783265800.db2.gz URMKDRXJQMGDQX-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C#Cc1ccc(C[NH+]2CCN(CC[NH+](CC=C)CC=C)CC2)cc1 ZINC001144578989 790954930 /nfs/dbraw/zinc/95/49/30/790954930.db2.gz VBQCFDPLLPEBLP-UHFFFAOYSA-N 2 0 323.484 2.460 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001085331697 783642128 /nfs/dbraw/zinc/64/21/28/783642128.db2.gz WSFCZGPSDSJJPK-RBSFLKMASA-N 2 0 313.873 2.240 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085388793 783666903 /nfs/dbraw/zinc/66/69/03/783666903.db2.gz BRZQDPOKJATPMQ-QZTJIDSGSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085604045 783880005 /nfs/dbraw/zinc/88/00/05/783880005.db2.gz VSYUCMRDPAKXJQ-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778640 784067467 /nfs/dbraw/zinc/06/74/67/784067467.db2.gz CZSSHRHYKACQBA-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221335 784499858 /nfs/dbraw/zinc/49/98/58/784499858.db2.gz PCAMXUOMBQXQDL-TWMKSMIVSA-N 2 0 305.466 2.064 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611499 784577316 /nfs/dbraw/zinc/57/73/16/784577316.db2.gz GUCQIIQNYZUTNK-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086400098 784672640 /nfs/dbraw/zinc/67/26/40/784672640.db2.gz VZFDREUMDXKIFS-LUKYLMHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086438348 784734577 /nfs/dbraw/zinc/73/45/77/784734577.db2.gz MVSPXYZPDACQBU-JCNLHEQBSA-N 2 0 315.461 2.075 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007619412 784962834 /nfs/dbraw/zinc/96/28/34/784962834.db2.gz MHZVDSYOJCGFSV-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169142091 785061725 /nfs/dbraw/zinc/06/17/25/785061725.db2.gz ZSGYRZKXJBLRGB-JKEDJMADSA-N 2 0 320.477 2.438 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108751723 785524052 /nfs/dbraw/zinc/52/40/52/785524052.db2.gz YMDVIZBBTLMVMM-BBWFWOEESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108771933 785529424 /nfs/dbraw/zinc/52/94/24/785529424.db2.gz IDDNYINDRYXWES-BZSNNMDCSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108785555 785534004 /nfs/dbraw/zinc/53/40/04/785534004.db2.gz INVAUPBNPVWVRJ-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108830237 785558126 /nfs/dbraw/zinc/55/81/26/785558126.db2.gz GQSNMGFBOUYVBE-ULQDDVLXSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001086530340 785661613 /nfs/dbraw/zinc/66/16/13/785661613.db2.gz UBLUNQMGSMGFON-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112567879 786160504 /nfs/dbraw/zinc/16/05/04/786160504.db2.gz MRFQFPONHBRUHA-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCO[C@H](CC)C2)CC1 ZINC001170235923 786859828 /nfs/dbraw/zinc/85/98/28/786859828.db2.gz BDUDRXLZXSUOAI-RBUKOAKNSA-N 2 0 321.509 2.236 20 30 DEEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795563 788197172 /nfs/dbraw/zinc/19/71/72/788197172.db2.gz VAIRCWSJZRTWAU-KRWDZBQOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132888313 788218547 /nfs/dbraw/zinc/21/85/47/788218547.db2.gz MBXVWFVWZVYBMY-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP 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 788251901 /nfs/dbraw/zinc/25/19/01/788251901.db2.gz MKMQOUZDWPUXGH-HZMVEIRTSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133084743 788276609 /nfs/dbraw/zinc/27/66/09/788276609.db2.gz XBBHBPPTCMBXFU-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133123045 788289208 /nfs/dbraw/zinc/28/92/08/788289208.db2.gz XYZDCMADVARUMQ-IRXDYDNUSA-N 2 0 321.509 2.062 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133229329 788324158 /nfs/dbraw/zinc/32/41/58/788324158.db2.gz IRBGPAJPADDLHW-SJORKVTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133229328 788325124 /nfs/dbraw/zinc/32/51/24/788325124.db2.gz IRBGPAJPADDLHW-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001134730016 789053187 /nfs/dbraw/zinc/05/31/87/789053187.db2.gz RUBUSKNBPGTKPO-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994442 789157428 /nfs/dbraw/zinc/15/74/28/789157428.db2.gz QWWCIFCGSLMZLI-KBPBESRZSA-N 2 0 300.406 2.397 20 30 DEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103180 789198921 /nfs/dbraw/zinc/19/89/21/789198921.db2.gz XJZNNYKNFOUHGE-SJORKVTESA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001135470819 789355890 /nfs/dbraw/zinc/35/58/90/789355890.db2.gz CHQAXRWSNMZMLC-HZPDHXFCSA-N 2 0 317.477 2.463 20 30 DEEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170819756 789376816 /nfs/dbraw/zinc/37/68/16/789376816.db2.gz PAEGVNZHSRJDHA-QGZVFWFLSA-N 2 0 323.868 2.312 20 30 DEEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135675983 789442935 /nfs/dbraw/zinc/44/29/35/789442935.db2.gz OGVCQUORHMSOLK-JKSUJKDBSA-N 2 0 315.461 2.258 20 30 DEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135944305 789568989 /nfs/dbraw/zinc/56/89/89/789568989.db2.gz IHPVXOBSVWCWPZ-ZIAGYGMSSA-N 2 0 304.438 2.210 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137695 789741386 /nfs/dbraw/zinc/74/13/86/789741386.db2.gz RUEVPUNCIIVLSC-KURKYZTESA-N 2 0 319.493 2.404 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071973228 789994661 /nfs/dbraw/zinc/99/46/61/789994661.db2.gz FLBBTTYJMQPHST-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC)CC1 ZINC001146608684 791322532 /nfs/dbraw/zinc/32/25/32/791322532.db2.gz AQAHAFIBFQHBAM-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC)CC1 ZINC001146608687 791322922 /nfs/dbraw/zinc/32/29/22/791322922.db2.gz AQAHAFIBFQHBAM-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147450063 791550500 /nfs/dbraw/zinc/55/05/00/791550500.db2.gz XHPRMLMBAMAPFG-OAHLLOKOSA-N 2 0 309.841 2.138 20 30 DEEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001148458098 791750417 /nfs/dbraw/zinc/75/04/17/791750417.db2.gz INKFNFDMGXARHY-UHFFFAOYSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148840014 791809179 /nfs/dbraw/zinc/80/91/79/791809179.db2.gz XZMCKHPFEZUEPR-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548303 792237966 /nfs/dbraw/zinc/23/79/66/792237966.db2.gz SRLFQNSAKPCLQL-MLHJIOFPSA-N 2 0 319.493 2.073 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001100333603 792595633 /nfs/dbraw/zinc/59/56/33/792595633.db2.gz FTKXIKAKNQYWBE-UHFFFAOYSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403354 792631882 /nfs/dbraw/zinc/63/18/82/792631882.db2.gz KYUCGKYAJXMUBF-LXPRWKDFSA-N 2 0 321.509 2.415 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100535948 792710821 /nfs/dbraw/zinc/71/08/21/792710821.db2.gz COECQDXRQQHASC-VMWRSERWSA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036707 792978053 /nfs/dbraw/zinc/97/80/53/792978053.db2.gz ZAVLNLDQWSCVPL-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345226 793130545 /nfs/dbraw/zinc/13/05/45/793130545.db2.gz ZVBBDKIQEKHNIW-SCTDSRPQSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400160 793144487 /nfs/dbraw/zinc/14/44/87/793144487.db2.gz JEKIEJDQJJLCJX-SCTDSRPQSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337741 793274195 /nfs/dbraw/zinc/27/41/95/793274195.db2.gz SBSXVWYVJRZFAN-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP COCCC[NH+]1CCC([NH2+]CCOc2ccccc2C#N)CC1 ZINC001172247092 793386710 /nfs/dbraw/zinc/38/67/10/793386710.db2.gz DEKUTDGWEKZDRQ-UHFFFAOYSA-N 2 0 317.433 2.028 20 30 DEEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)C(C)(C)[NH3+])C[C@H]1C#N ZINC001172973078 793547272 /nfs/dbraw/zinc/54/72/72/793547272.db2.gz ABLIDYLAQXDGIX-STQMWFEESA-N 2 0 324.469 2.384 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001095009315 793573120 /nfs/dbraw/zinc/57/31/20/793573120.db2.gz CBGRHWFUZFMGEN-KSZLIROESA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102337678 793579763 /nfs/dbraw/zinc/57/97/63/793579763.db2.gz OBVMNHYLFQULHF-BPLDGKMQSA-N 2 0 315.889 2.009 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102376979 793595611 /nfs/dbraw/zinc/59/56/11/793595611.db2.gz HPQOQDPRKNAMDZ-HZPDHXFCSA-N 2 0 309.498 2.225 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083916 793934695 /nfs/dbraw/zinc/93/46/95/793934695.db2.gz OYNLOESGFFEAMQ-KZNAEPCWSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174928997 794093824 /nfs/dbraw/zinc/09/38/24/794093824.db2.gz NYBWHYZDAAPGOF-CQSZACIVSA-N 2 0 307.438 2.405 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439473 794094724 /nfs/dbraw/zinc/09/47/24/794094724.db2.gz CHSRAVQWQWKMGV-IAGOWNOFSA-N 2 0 321.509 2.062 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644778 794174819 /nfs/dbraw/zinc/17/48/19/794174819.db2.gz QGEHSELKGRTYRQ-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782291 794479669 /nfs/dbraw/zinc/47/96/69/794479669.db2.gz CCTYNSFVWUWHKY-SCTDSRPQSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)CC1 ZINC001176737966 794483891 /nfs/dbraw/zinc/48/38/91/794483891.db2.gz ODWJNYQRDSVBLJ-INIZCTEOSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176753297 794497181 /nfs/dbraw/zinc/49/71/81/794497181.db2.gz FHHCGACCPAJRNM-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869738 794506903 /nfs/dbraw/zinc/50/69/03/794506903.db2.gz HYIXQRFDHRBNQB-SCTDSRPQSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111869737 794507446 /nfs/dbraw/zinc/50/74/46/794507446.db2.gz HYIXQRFDHRBNQB-LNLFQRSKSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003936 794543285 /nfs/dbraw/zinc/54/32/85/794543285.db2.gz HOHUTKLFENBRHK-HKUYNNGSSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285170 794588219 /nfs/dbraw/zinc/58/82/19/794588219.db2.gz OKMBATWBZATFCP-SCTDSRPQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001112399561 794622393 /nfs/dbraw/zinc/62/23/93/794622393.db2.gz ZQFTVDDRVUJSBE-LNLFQRSKSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177456393 794669826 /nfs/dbraw/zinc/66/98/26/794669826.db2.gz UAYINHBHPWONAE-UHFFFAOYSA-N 2 0 321.509 2.350 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081626 794674763 /nfs/dbraw/zinc/67/47/63/794674763.db2.gz UVDXVPBLFSRPMM-VQFNDLOPSA-N 2 0 307.482 2.121 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243088 794712685 /nfs/dbraw/zinc/71/26/85/794712685.db2.gz ITAGNIGRTILKJA-VQFNDLOPSA-N 2 0 307.482 2.099 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115540358 794814520 /nfs/dbraw/zinc/81/45/20/794814520.db2.gz HAHOOTUKKTXONT-KRWDZBQOSA-N 2 0 319.493 2.313 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001115759371 794910609 /nfs/dbraw/zinc/91/06/09/794910609.db2.gz APHKSYDYTDNUQP-KRWDZBQOSA-N 2 0 319.493 2.291 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178828230 795007636 /nfs/dbraw/zinc/00/76/36/795007636.db2.gz RXKPNWZGBIIXTL-OAHLLOKOSA-N 2 0 315.889 2.489 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001181904878 795560194 /nfs/dbraw/zinc/56/01/94/795560194.db2.gz WTMHOIZPXDMOES-SOLBZPMBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182116085 795606464 /nfs/dbraw/zinc/60/64/64/795606464.db2.gz BJJZJWOMUUPSSH-RDTXWAMCSA-N 2 0 312.417 2.208 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001182516604 795696750 /nfs/dbraw/zinc/69/67/50/795696750.db2.gz KPTIWIUCRRLDRM-JFIYKMOQSA-N 2 0 309.498 2.223 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001122237237 795738728 /nfs/dbraw/zinc/73/87/28/795738728.db2.gz DCHHBHCEIWFMQK-UHFFFAOYSA-N 2 0 319.493 2.456 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001183845030 795943637 /nfs/dbraw/zinc/94/36/37/795943637.db2.gz MULJUVZMMVGYDT-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001185053578 796170824 /nfs/dbraw/zinc/17/08/24/796170824.db2.gz UIRYUYBECVWWNB-DLBZAZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001185032253 796174512 /nfs/dbraw/zinc/17/45/12/796174512.db2.gz WALJAHJFKHENJV-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185503926 796273633 /nfs/dbraw/zinc/27/36/33/796273633.db2.gz UCJATLWYUSNDST-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185609746 796293127 /nfs/dbraw/zinc/29/31/27/796293127.db2.gz NWGWGVXWQVFVSZ-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185660021 796300840 /nfs/dbraw/zinc/30/08/40/796300840.db2.gz VNWVGBKZNHOBEJ-IAGOWNOFSA-N 2 0 309.498 2.489 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106925 796482915 /nfs/dbraw/zinc/48/29/15/796482915.db2.gz QVBAYOXPFPAPGN-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028635 796514998 /nfs/dbraw/zinc/51/49/98/796514998.db2.gz OKNRGQRTYMZOST-HZPDHXFCSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168204 796951950 /nfs/dbraw/zinc/95/19/50/796951950.db2.gz NTLFDCAXPBZTQV-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190174183 796953555 /nfs/dbraw/zinc/95/35/55/796953555.db2.gz DADQESPZBWWXBW-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190656944 797048707 /nfs/dbraw/zinc/04/87/07/797048707.db2.gz YEKUHEQUXMENRV-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153654444 797371510 /nfs/dbraw/zinc/37/15/10/797371510.db2.gz XDLSLTRCTQPTRV-HUUCEWRRSA-N 2 0 301.450 2.069 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818966 797403454 /nfs/dbraw/zinc/40/34/54/797403454.db2.gz HSNKCROQPKSASP-SJLPKXTDSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671000 797429078 /nfs/dbraw/zinc/42/90/78/797429078.db2.gz DKKGWACKFKGWBQ-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464517 797539895 /nfs/dbraw/zinc/53/98/95/797539895.db2.gz NWNMYHRBTLPVQV-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464803 797539947 /nfs/dbraw/zinc/53/99/47/797539947.db2.gz ZAPSQCIHPZZMKR-MRXNPFEDSA-N 2 0 307.482 2.101 20 30 DEEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011595 797662549 /nfs/dbraw/zinc/66/25/49/797662549.db2.gz VGQFSGCZTFULQP-IRXDYDNUSA-N 2 0 309.498 2.441 20 30 DEEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839198 797861555 /nfs/dbraw/zinc/86/15/55/797861555.db2.gz RCFWWTYMBHUGSE-MRXNPFEDSA-N 2 0 315.461 2.212 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157965339 798315943 /nfs/dbraw/zinc/31/59/43/798315943.db2.gz ZKYNNKOIRVBILG-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285130 798670507 /nfs/dbraw/zinc/67/05/07/798670507.db2.gz BKAGTYXMMQRXPB-GOSISDBHSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1CNc1cc(N2CCCC2)[nH+]c(C)n1 ZINC001160952918 798769537 /nfs/dbraw/zinc/76/95/37/798769537.db2.gz IMTBKBAFVMTRJP-HNNXBMFYSA-N 2 0 301.438 2.448 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617833 799131541 /nfs/dbraw/zinc/13/15/41/799131541.db2.gz UXWWJYWEDBAYHJ-AWEZNQCLSA-N 2 0 300.406 2.399 20 30 DEEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001203342235 800038636 /nfs/dbraw/zinc/03/86/36/800038636.db2.gz YWBDAGLCPCSQSF-SJORKVTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203421174 800044163 /nfs/dbraw/zinc/04/41/63/800044163.db2.gz ZNDHSIRLOLNYIJ-CVEARBPZSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540084 800074687 /nfs/dbraw/zinc/07/46/87/800074687.db2.gz TUYBDEHCPMIUGM-DLBZAZTESA-N 2 0 319.493 2.311 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457599 800359312 /nfs/dbraw/zinc/35/93/12/800359312.db2.gz GTRHBODAMRFPEP-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206061401 800466950 /nfs/dbraw/zinc/46/69/50/800466950.db2.gz KFCSCWBKXYFSTN-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206549243 800552662 /nfs/dbraw/zinc/55/26/62/800552662.db2.gz XCADTMHFCZWPRF-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207601272 800786755 /nfs/dbraw/zinc/78/67/55/800786755.db2.gz GAMJQMMZBABAIB-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208340993 800960127 /nfs/dbraw/zinc/96/01/27/800960127.db2.gz SPPJILYYDHGLJY-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208361545 800967273 /nfs/dbraw/zinc/96/72/73/800967273.db2.gz FUADRNQGGLNJHN-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208604758 801025945 /nfs/dbraw/zinc/02/59/45/801025945.db2.gz TYCQUXFBVKUUJO-INIZCTEOSA-N 2 0 309.454 2.095 20 30 DEEDRP C=CCCCCC[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001209423505 801190207 /nfs/dbraw/zinc/19/02/07/801190207.db2.gz VWTXZHPJXHPQST-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001229193768 801239739 /nfs/dbraw/zinc/23/97/39/801239739.db2.gz FYBRYOJJMDFZGL-KURKYZTESA-N 2 0 321.509 2.393 20 30 DEEDRP C=CCCCCC[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001229723757 801309474 /nfs/dbraw/zinc/30/94/74/801309474.db2.gz XRRSKJYQLLDCII-UHFFFAOYSA-N 2 0 304.438 2.279 20 30 DEEDRP N#Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc(F)c1F ZINC001210267762 801364539 /nfs/dbraw/zinc/36/45/39/801364539.db2.gz NIKIRYVJOHYRMF-UHFFFAOYSA-N 2 0 315.327 2.385 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210283464 801368850 /nfs/dbraw/zinc/36/88/50/801368850.db2.gz PZLRCNSVVLVLQF-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612714 801436567 /nfs/dbraw/zinc/43/65/67/801436567.db2.gz DWXPLWVUVHHWNZ-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773437 801462189 /nfs/dbraw/zinc/46/21/89/801462189.db2.gz JBOLUJNYFNXLGR-AWEZNQCLSA-N 2 0 301.862 2.051 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211233273 801534939 /nfs/dbraw/zinc/53/49/39/801534939.db2.gz ANYDUCYLXKHSAL-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214888978 801772903 /nfs/dbraw/zinc/77/29/03/801772903.db2.gz FIFDQCIMDAMSGV-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551728 801876001 /nfs/dbraw/zinc/87/60/01/801876001.db2.gz XUBBZXOBTZWLPK-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc([C@@H]([NH3+])CC(=O)OC)c1 ZINC001218456449 802186143 /nfs/dbraw/zinc/18/61/43/802186143.db2.gz POCYFNNSMDWCMY-GVDBMIGSSA-N 2 0 318.417 2.325 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234402270 802368553 /nfs/dbraw/zinc/36/85/53/802368553.db2.gz KHUDBMOWGIUNTI-YESZJQIVSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220663537 802484678 /nfs/dbraw/zinc/48/46/78/802484678.db2.gz HIYVMTXYSRHNGP-ZBFHGGJFSA-N 2 0 319.449 2.146 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221544632 802590683 /nfs/dbraw/zinc/59/06/83/802590683.db2.gz ZOSDKFWXYIBNOG-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221972632 802630389 /nfs/dbraw/zinc/63/03/89/802630389.db2.gz BGWWOBILUKQJDS-BRWVUGGUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223472058 802792872 /nfs/dbraw/zinc/79/28/72/802792872.db2.gz IZIUOTPSSWJQSU-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224739822 802899927 /nfs/dbraw/zinc/89/99/27/802899927.db2.gz REHLSTGKUWEHOE-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225154555 802939834 /nfs/dbraw/zinc/93/98/34/802939834.db2.gz BHUZANBNBGUTEB-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225168026 802942305 /nfs/dbraw/zinc/94/23/05/802942305.db2.gz JXLUKCQRRINVSN-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226554043 803123807 /nfs/dbraw/zinc/12/38/07/803123807.db2.gz KXWHZSFFSLPQBW-ARFHVFGLSA-N 2 0 313.461 2.259 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001228114091 803320632 /nfs/dbraw/zinc/32/06/32/803320632.db2.gz PRWMUGKDRLHSJC-UHFFFAOYSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330931773 1149337947 /nfs/dbraw/zinc/33/79/47/1149337947.db2.gz IUDGNKOPVPGUKO-AWEZNQCLSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001368866131 1148730886 /nfs/dbraw/zinc/73/08/86/1148730886.db2.gz ICBKFLQFVNEPNW-QWHCGFSZSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001500196923 1058580990 /nfs/dbraw/zinc/58/09/90/1058580990.db2.gz FWBFNSPMCXCXCW-FUHWJXTLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500400995 1058751684 /nfs/dbraw/zinc/75/16/84/1058751684.db2.gz BJCUXNQWLLSSIL-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135520 1059981372 /nfs/dbraw/zinc/98/13/72/1059981372.db2.gz MBHCQDNYXLVYEZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001505447767 1060610570 /nfs/dbraw/zinc/61/05/70/1060610570.db2.gz COFDLZBLBFHBQN-HOTGVXAUSA-N 2 0 304.438 2.333 20 30 DEEDRP C=C(C)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001505528036 1060678077 /nfs/dbraw/zinc/67/80/77/1060678077.db2.gz DCRNTISGUFKNJA-UHFFFAOYSA-N 2 0 307.482 2.167 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001479734846 1061659643 /nfs/dbraw/zinc/65/96/43/1061659643.db2.gz UJVYPDPCIZLYOH-ZWKOTPCHSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001479735597 1061660437 /nfs/dbraw/zinc/66/04/37/1061660437.db2.gz VOLZWIWKHDKECO-IXDOHACOSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479737254 1061664231 /nfs/dbraw/zinc/66/42/31/1061664231.db2.gz JGCPIUBDOHGAEO-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480299592 1062606448 /nfs/dbraw/zinc/60/64/48/1062606448.db2.gz FANSWKQITOVJSQ-QGZVFWFLSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001507016321 1062677938 /nfs/dbraw/zinc/67/79/38/1062677938.db2.gz WQXOJOJSVCDMOS-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480381525 1062760107 /nfs/dbraw/zinc/76/01/07/1062760107.db2.gz CTPPQZKNBMKCAO-IRXDYDNUSA-N 2 0 321.509 2.204 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480669817 1063165181 /nfs/dbraw/zinc/16/51/81/1063165181.db2.gz VYYOWCMPGHFUGE-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480728815 1063256869 /nfs/dbraw/zinc/25/68/69/1063256869.db2.gz ANMCCTSSAKVOLS-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC=C)C(C)(C)C ZINC001507961976 1063479224 /nfs/dbraw/zinc/47/92/24/1063479224.db2.gz QVNNTMBRVDMJFC-DLBZAZTESA-N 2 0 319.493 2.171 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001508230312 1063624168 /nfs/dbraw/zinc/62/41/68/1063624168.db2.gz TXMJGOPXGXYJPR-GOSISDBHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001493695010 1063921213 /nfs/dbraw/zinc/92/12/13/1063921213.db2.gz CETYBUYNVKOLGL-QGZVFWFLSA-N 2 0 313.461 2.213 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001494041542 1064097871 /nfs/dbraw/zinc/09/78/71/1064097871.db2.gz AYOAAOJBOVIVDG-BBWFWOEESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001567629752 1064290911 /nfs/dbraw/zinc/29/09/11/1064290911.db2.gz DJVBINPESAAPPJ-OAHLLOKOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001567660100 1064324702 /nfs/dbraw/zinc/32/47/02/1064324702.db2.gz SWLXPWVGIDRCED-OKZBNKHCSA-N 2 0 315.461 2.350 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001567701330 1064358259 /nfs/dbraw/zinc/35/82/59/1064358259.db2.gz HFQIMTGOIMAABW-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001568008094 1064591490 /nfs/dbraw/zinc/59/14/90/1064591490.db2.gz LTVGPDGWLNVZRC-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001568112460 1064652392 /nfs/dbraw/zinc/65/23/92/1064652392.db2.gz ZANSNENYGPEHCW-KZNAEPCWSA-N 2 0 319.493 2.290 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001568357925 1064802536 /nfs/dbraw/zinc/80/25/36/1064802536.db2.gz NLIFMBPUWLBAEF-HZPDHXFCSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001568401565 1064839411 /nfs/dbraw/zinc/83/94/11/1064839411.db2.gz VSMCUFAVTPDPAH-GJZGRUSLSA-N 2 0 313.873 2.051 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001568457222 1064885679 /nfs/dbraw/zinc/88/56/79/1064885679.db2.gz IVKPKYYMJPRPBE-KRWDZBQOSA-N 2 0 321.509 2.252 20 30 DEEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001496313141 1065402727 /nfs/dbraw/zinc/40/27/27/1065402727.db2.gz VYQCCRPSZXZEPU-MSOLQXFVSA-N 2 0 319.493 2.149 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001569550291 1065586318 /nfs/dbraw/zinc/58/63/18/1065586318.db2.gz VLFKFRNQWMTUON-SFHVURJKSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569695613 1065677333 /nfs/dbraw/zinc/67/73/33/1065677333.db2.gz QOEVWQBKCDYAKN-FUHWJXTLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001569864894 1065776110 /nfs/dbraw/zinc/77/61/10/1065776110.db2.gz MHEBPYMSSRTIMO-ULQDDVLXSA-N 2 0 309.498 2.415 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001570045074 1065899278 /nfs/dbraw/zinc/89/92/78/1065899278.db2.gz XWKRMOLAMPFCJZ-QAETUUGQSA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001570505266 1066099548 /nfs/dbraw/zinc/09/95/48/1066099548.db2.gz UFCRRNQXZJVWBN-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC001576809232 1066694448 /nfs/dbraw/zinc/69/44/48/1066694448.db2.gz QOGGAFSNTQJCFT-WMLDXEAASA-N 2 0 323.444 2.375 20 30 DEEDRP C#CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001499522836 1067245621 /nfs/dbraw/zinc/24/56/21/1067245621.db2.gz SXNTYLFONAEVSV-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001499584723 1067268173 /nfs/dbraw/zinc/26/81/73/1067268173.db2.gz IYGBPWGMNJHZOP-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267061144 1078536891 /nfs/dbraw/zinc/53/68/91/1078536891.db2.gz IHCJQYWCWAVYHS-KRWDZBQOSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001570530203 1067988049 /nfs/dbraw/zinc/98/80/49/1067988049.db2.gz GPBOWENPBAXKTQ-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001570544291 1067996539 /nfs/dbraw/zinc/99/65/39/1067996539.db2.gz UFGNYADXIFYEMP-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001570621817 1068039478 /nfs/dbraw/zinc/03/94/78/1068039478.db2.gz OXFJYVNDMPCQQW-CVEARBPZSA-N 2 0 307.482 2.147 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001570621820 1068040228 /nfs/dbraw/zinc/04/02/28/1068040228.db2.gz OXFJYVNDMPCQQW-JKSUJKDBSA-N 2 0 307.482 2.147 20 30 DEEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001570822879 1068129398 /nfs/dbraw/zinc/12/93/98/1068129398.db2.gz NBCUZQGURPXLJI-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001571129406 1068184970 /nfs/dbraw/zinc/18/49/70/1068184970.db2.gz GSHWYBYITJLKIB-VQHPVUNQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571360067 1068246501 /nfs/dbraw/zinc/24/65/01/1068246501.db2.gz LIPDIEPAJXVZBM-MSOLQXFVSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001571467425 1068319511 /nfs/dbraw/zinc/31/95/11/1068319511.db2.gz LGUOHUIYRICQSM-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001571568827 1068425150 /nfs/dbraw/zinc/42/51/50/1068425150.db2.gz RDPFZVTZKHDXHP-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267496197 1078921263 /nfs/dbraw/zinc/92/12/63/1078921263.db2.gz OOZIJYPORQTOQQ-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1CC[NH+](C(C)C)CC1 ZINC001483987235 1079227491 /nfs/dbraw/zinc/22/74/91/1079227491.db2.gz ISPDNYMYVKJMPV-GOSISDBHSA-N 2 0 321.509 2.441 20 30 DEEDRP C=C(C)C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001481174571 1079292495 /nfs/dbraw/zinc/29/24/95/1079292495.db2.gz RGAQNJLCSIOGDX-IAGOWNOFSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001481194533 1079322742 /nfs/dbraw/zinc/32/27/42/1079322742.db2.gz KTZYNOHPRRWGOJ-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001566532731 1075271635 /nfs/dbraw/zinc/27/16/35/1075271635.db2.gz AIQCFRWKZMYWHN-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001566592536 1075291943 /nfs/dbraw/zinc/29/19/43/1075291943.db2.gz RTIMDCINZMDLJR-UHFFFAOYSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566739742 1075330976 /nfs/dbraw/zinc/33/09/76/1075330976.db2.gz IKDNOPRZKUEZQR-WMZOPIPTSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267745369 1079444063 /nfs/dbraw/zinc/44/40/63/1079444063.db2.gz NWLFPTAARQUQNE-OAHLLOKOSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484528243 1079645048 /nfs/dbraw/zinc/64/50/48/1079645048.db2.gz XZPKUFFMVDIJAL-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CCC[NH+](C)C)cc1 ZINC001484561577 1079661250 /nfs/dbraw/zinc/66/12/50/1079661250.db2.gz ODJCWIJFCFGKCK-MRXNPFEDSA-N 2 0 315.461 2.319 20 30 DEEDRP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001484563604 1079662413 /nfs/dbraw/zinc/66/24/13/1079662413.db2.gz QZSUWWLLVINEEQ-RHSMWYFYSA-N 2 0 301.434 2.091 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268008427 1079691260 /nfs/dbraw/zinc/69/12/60/1079691260.db2.gz IILJXUQHLJDPSY-OAHLLOKOSA-N 2 0 307.482 2.026 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCC1 ZINC001484636802 1079704902 /nfs/dbraw/zinc/70/49/02/1079704902.db2.gz JMVKFBBKAFCUAU-INIZCTEOSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)CN(C)Cc2ccccc2)CCC1 ZINC001484665041 1079717469 /nfs/dbraw/zinc/71/74/69/1079717469.db2.gz ZZABMRDRPOZSRT-UHFFFAOYSA-N 2 0 315.461 2.323 20 30 DEEDRP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001484772234 1079787362 /nfs/dbraw/zinc/78/73/62/1079787362.db2.gz ORIKTOSKFUTHHR-ROUUACIJSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481409834 1079798465 /nfs/dbraw/zinc/79/84/65/1079798465.db2.gz ULFDLQHBIHWGEM-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481462697 1079910027 /nfs/dbraw/zinc/91/00/27/1079910027.db2.gz VGUXBUPOLBBHQP-KRWDZBQOSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001485039602 1079933871 /nfs/dbraw/zinc/93/38/71/1079933871.db2.gz OKFZIZWWXWWNRL-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001268046064 1079937812 /nfs/dbraw/zinc/93/78/12/1079937812.db2.gz RRZITVSTZVFFQW-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485068664 1079946418 /nfs/dbraw/zinc/94/64/18/1079946418.db2.gz GKHPDBBASORVRJ-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001656200696 1080063297 /nfs/dbraw/zinc/06/32/97/1080063297.db2.gz HNRJXIDYMLGOAB-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268113418 1080082965 /nfs/dbraw/zinc/08/29/65/1080082965.db2.gz TURCLUFGQVMHGJ-MSOLQXFVSA-N 2 0 321.509 2.395 20 30 DEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001656386132 1080083915 /nfs/dbraw/zinc/08/39/15/1080083915.db2.gz KOMWMFWPUZPDGZ-BBWFWOEESA-N 2 0 307.482 2.167 20 30 DEEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(=C)C ZINC001485253724 1080087788 /nfs/dbraw/zinc/08/77/88/1080087788.db2.gz HSBJCHQUMNCGNL-KRWDZBQOSA-N 2 0 319.493 2.124 20 30 DEEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001268163308 1080140398 /nfs/dbraw/zinc/14/03/98/1080140398.db2.gz UTCKVQYDRHMILK-OAHLLOKOSA-N 2 0 315.889 2.442 20 30 DEEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001268163892 1080141735 /nfs/dbraw/zinc/14/17/35/1080141735.db2.gz CRLWYQHKRSVFBK-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001268226544 1080208176 /nfs/dbraw/zinc/20/81/76/1080208176.db2.gz BGYMQWHVIBJQJN-QZTJIDSGSA-N 2 0 321.509 2.251 20 30 DEEDRP C#CC[C@H](CCOC)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001658656987 1080215734 /nfs/dbraw/zinc/21/57/34/1080215734.db2.gz UPTCRSWURMYCAB-WWDZGPRUSA-N 2 0 308.466 2.038 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001485706478 1080373060 /nfs/dbraw/zinc/37/30/60/1080373060.db2.gz HMHWHCMEPPNFGL-ULQDDVLXSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001485698541 1080381893 /nfs/dbraw/zinc/38/18/93/1080381893.db2.gz RQASYOISQPSJAX-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]([NH2+]CC(=C)C)C(C)C)CC1 ZINC001485793074 1080437074 /nfs/dbraw/zinc/43/70/74/1080437074.db2.gz KKKYVKCVTGVORD-GOSISDBHSA-N 2 0 319.493 2.028 20 30 DEEDRP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001272701368 1080445105 /nfs/dbraw/zinc/44/51/05/1080445105.db2.gz WANFPONRMOUNFH-DOTOQJQBSA-N 2 0 315.461 2.481 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481783668 1080502809 /nfs/dbraw/zinc/50/28/09/1080502809.db2.gz YFHVNNZDOQAPRC-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458301 1080523051 /nfs/dbraw/zinc/52/30/51/1080523051.db2.gz KRLLFRZHZFWFAV-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661896412 1080542090 /nfs/dbraw/zinc/54/20/90/1080542090.db2.gz OKMCDHVIZBTGSG-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036655 1080551306 /nfs/dbraw/zinc/55/13/06/1080551306.db2.gz OMTHKLCVRORWSR-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001662108392 1080570893 /nfs/dbraw/zinc/57/08/93/1080570893.db2.gz DXOQSZIHVSOJLV-DAWZGUTISA-N 2 0 319.493 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001481908522 1080597475 /nfs/dbraw/zinc/59/74/75/1080597475.db2.gz JMHMISKHKFJKPV-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001663120241 1080706368 /nfs/dbraw/zinc/70/63/68/1080706368.db2.gz RQLXWCFKWUERIF-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001663124211 1080706495 /nfs/dbraw/zinc/70/64/95/1080706495.db2.gz UDVUMZBRVZDSGZ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268539421 1080733918 /nfs/dbraw/zinc/73/39/18/1080733918.db2.gz SYGNTUBBZMPJQS-FYCOFBDGSA-N 2 0 305.466 2.089 20 30 DEEDRP C=C(C)C[NH2+]CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001268794939 1080994783 /nfs/dbraw/zinc/99/47/83/1080994783.db2.gz AGQBVHKNPCYYGL-UHFFFAOYSA-N 2 0 309.479 2.438 20 30 DEEDRP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001665671256 1081060230 /nfs/dbraw/zinc/06/02/30/1081060230.db2.gz YTKTTZBRXAIZPW-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP C=C(C)CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001665958920 1081103241 /nfs/dbraw/zinc/10/32/41/1081103241.db2.gz FWVHBNDLZYUVCF-UHFFFAOYSA-N 2 0 305.466 2.067 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001666135645 1081127225 /nfs/dbraw/zinc/12/72/25/1081127225.db2.gz YGUKLBFFCHKDDO-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001666347202 1081146706 /nfs/dbraw/zinc/14/67/06/1081146706.db2.gz GIGGBVXBQJTYLB-SFHVURJKSA-N 2 0 315.461 2.310 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001006446051 1081176807 /nfs/dbraw/zinc/17/68/07/1081176807.db2.gz SMWMAVDYXLNRHF-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001667215756 1081226200 /nfs/dbraw/zinc/22/62/00/1081226200.db2.gz AMYLYNLQVQKAQC-ROUUACIJSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[N@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001667426011 1081250934 /nfs/dbraw/zinc/25/09/34/1081250934.db2.gz FNAGZJVUPWXWKA-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001482235675 1081321110 /nfs/dbraw/zinc/32/11/10/1081321110.db2.gz ONHNPQDPLDMTCI-IRXDYDNUSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001269677437 1081329994 /nfs/dbraw/zinc/32/99/94/1081329994.db2.gz RWQXNPDVABGUOU-QFBILLFUSA-N 2 0 319.493 2.313 20 30 DEEDRP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270486682 1081535481 /nfs/dbraw/zinc/53/54/81/1081535481.db2.gz OVISFZHSYMUVMG-RDJZCZTQSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001671748357 1081536309 /nfs/dbraw/zinc/53/63/09/1081536309.db2.gz SWNIUPAPHCMXSC-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001270513726 1081541175 /nfs/dbraw/zinc/54/11/75/1081541175.db2.gz REFWBCOSSACTDR-GOSISDBHSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001672338539 1081585730 /nfs/dbraw/zinc/58/57/30/1081585730.db2.gz LFFQWPMQZHICON-IRXDYDNUSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C1 ZINC001672419238 1081595546 /nfs/dbraw/zinc/59/55/46/1081595546.db2.gz DBMKRSLFMSAFSO-HRCADAONSA-N 2 0 316.449 2.087 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001673016334 1081731777 /nfs/dbraw/zinc/73/17/77/1081731777.db2.gz HBSYBGYKHBWBKT-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001673238642 1081749115 /nfs/dbraw/zinc/74/91/15/1081749115.db2.gz WXMRPRCJCSNELJ-IYBDPMFKSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001673601189 1081785050 /nfs/dbraw/zinc/78/50/50/1081785050.db2.gz FIYSMZBFQBABMA-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001674135830 1081844221 /nfs/dbraw/zinc/84/42/21/1081844221.db2.gz SFCKTTNPCRIZSA-HOTGVXAUSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266464757 1082053637 /nfs/dbraw/zinc/05/36/37/1082053637.db2.gz IBZPPGRGWLFFGN-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001271460009 1082053761 /nfs/dbraw/zinc/05/37/61/1082053761.db2.gz YCYRRMHAWBWHKW-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001266591979 1082180009 /nfs/dbraw/zinc/18/00/09/1082180009.db2.gz DQWMQHNMVLXLGD-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266614587 1082214227 /nfs/dbraw/zinc/21/42/27/1082214227.db2.gz JXJCOOGVIDJJPF-JFIYKMOQSA-N 2 0 317.477 2.044 20 30 DEEDRP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001272046685 1082332152 /nfs/dbraw/zinc/33/21/52/1082332152.db2.gz YROMLMOGFQTGOA-IRXDYDNUSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001266915543 1082450464 /nfs/dbraw/zinc/45/04/64/1082450464.db2.gz JTWNAFSHEIFNOZ-KLAILNCOSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482680482 1082471390 /nfs/dbraw/zinc/47/13/90/1082471390.db2.gz AGZUSRADZBCLNS-CRAIPNDOSA-N 2 0 324.428 2.154 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444455 1083400042 /nfs/dbraw/zinc/40/00/42/1083400042.db2.gz JCBDCCBOCGMROI-SOLBZPMBSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001276912871 1083677070 /nfs/dbraw/zinc/67/70/70/1083677070.db2.gz PJXVRWUYRCHYHS-KDURUIRLSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001490902011 1083875029 /nfs/dbraw/zinc/87/50/29/1083875029.db2.gz BFFVDKDLCZLRPS-VQHPVUNQSA-N 2 0 305.466 2.206 20 30 DEEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339671 1083947193 /nfs/dbraw/zinc/94/71/93/1083947193.db2.gz JVWKKJZNCWFHAN-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001281496995 1084010884 /nfs/dbraw/zinc/01/08/84/1084010884.db2.gz DBJBKCJXPIPLLT-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001491173804 1084129359 /nfs/dbraw/zinc/12/93/59/1084129359.db2.gz UJMZHRUHNVDCPP-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)CC[NH+](CC)CC ZINC001277780061 1084145819 /nfs/dbraw/zinc/14/58/19/1084145819.db2.gz ZXAFBESLNMEMNM-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CC[N@@H+](CCNC(=O)CCC[NH+](C)C)C1CCCCCC1 ZINC001670976539 1084180119 /nfs/dbraw/zinc/18/01/19/1084180119.db2.gz CHZXOXZFQSSPHJ-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001486203721 1085129912 /nfs/dbraw/zinc/12/99/12/1085129912.db2.gz BFQGLDXTGKNKEG-HOTGVXAUSA-N 2 0 324.428 2.154 20 30 DEEDRP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001486507743 1085383296 /nfs/dbraw/zinc/38/32/96/1085383296.db2.gz XEHKCFKNSXJEJT-LZLYRXPVSA-N 2 0 319.493 2.430 20 30 DEEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001486516304 1085388301 /nfs/dbraw/zinc/38/83/01/1085388301.db2.gz GPUGKIDLVIFLMY-KRWDZBQOSA-N 2 0 317.477 2.023 20 30 DEEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961350497 1085700181 /nfs/dbraw/zinc/70/01/81/1085700181.db2.gz XJNAFPAPLVDGFV-ROUUACIJSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001273038730 1086064025 /nfs/dbraw/zinc/06/40/25/1086064025.db2.gz HUVLVZFXRYEROY-IBGZPJMESA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCC1 ZINC001273084289 1086160756 /nfs/dbraw/zinc/16/07/56/1086160756.db2.gz IZKGBHBMQAZHGV-UHFFFAOYSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000963728285 1086549385 /nfs/dbraw/zinc/54/93/85/1086549385.db2.gz NGKZFKHKNBALSZ-ABHNRTSZSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963787149 1086558630 /nfs/dbraw/zinc/55/86/30/1086558630.db2.gz GVFUVJWWJBAFGF-HVEGKCCWSA-N 2 0 305.466 2.062 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662506 1087833258 /nfs/dbraw/zinc/83/32/58/1087833258.db2.gz LHSIQWXVDGGGDH-NCOADZHNSA-N 2 0 319.493 2.262 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080700372 1089147981 /nfs/dbraw/zinc/14/79/81/1089147981.db2.gz YOBZFNTXZCCECT-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084475326 1090308499 /nfs/dbraw/zinc/30/84/99/1090308499.db2.gz IXTSLZDBDZNZAO-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084521463 1090316222 /nfs/dbraw/zinc/31/62/22/1090316222.db2.gz GLLHVOXOONHXST-RHSMWYFYSA-N 2 0 310.401 2.057 20 30 DEEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016973 1090592049 /nfs/dbraw/zinc/59/20/49/1090592049.db2.gz ZKLOATWIWXESKT-MHORFTMASA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001275024730 1091519016 /nfs/dbraw/zinc/51/90/16/1091519016.db2.gz PFBWDNAIEQLOJT-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001495446778 1091527522 /nfs/dbraw/zinc/52/75/22/1091527522.db2.gz ZMZVQSRRKPAGMR-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP CCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001275126557 1091571888 /nfs/dbraw/zinc/57/18/88/1091571888.db2.gz LTGPPLRWSJWBMJ-HZPDHXFCSA-N 2 0 307.482 2.099 20 30 DEEDRP CCCCCCCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001275130774 1091575177 /nfs/dbraw/zinc/57/51/77/1091575177.db2.gz GCBOMMONSYXHKV-HDICACEKSA-N 2 0 311.514 2.294 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001275189879 1091608731 /nfs/dbraw/zinc/60/87/31/1091608731.db2.gz BRDQCODAHAJSFV-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726418 1091902982 /nfs/dbraw/zinc/90/29/82/1091902982.db2.gz QHBSPRBFKUNRCN-MRXNPFEDSA-N 2 0 319.449 2.454 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001488805890 1092756552 /nfs/dbraw/zinc/75/65/52/1092756552.db2.gz WSAKIPOONIOKEO-FGTMMUONSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001490598005 1093436745 /nfs/dbraw/zinc/43/67/45/1093436745.db2.gz DACMZELXZFPGRG-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001691745904 1138293084 /nfs/dbraw/zinc/29/30/84/1138293084.db2.gz VZIDSBKCXOKOIO-XMTFNYHQSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]CCN(Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001236518043 1138370486 /nfs/dbraw/zinc/37/04/86/1138370486.db2.gz YATPCKALIULOFW-UHFFFAOYSA-N 2 0 321.440 2.164 20 30 DEEDRP C[NH+]1CCC2(CC[N@H+](Cc3cn4cc(C#N)ccc4n3)C2)CC1 ZINC001237606294 1138710489 /nfs/dbraw/zinc/71/04/89/1138710489.db2.gz JROOZMAZDJTBGH-UHFFFAOYSA-N 2 0 309.417 2.124 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001491799933 1140314671 /nfs/dbraw/zinc/31/46/71/1140314671.db2.gz BBIKLSMGBJTWGT-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001318475201 1140343276 /nfs/dbraw/zinc/34/32/76/1140343276.db2.gz YYFNHPZIYVVBQX-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001319019373 1140490683 /nfs/dbraw/zinc/49/06/83/1140490683.db2.gz KXFKVFHBRBXRMI-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001320167764 1140832704 /nfs/dbraw/zinc/83/27/04/1140832704.db2.gz WHTUMWKSPKSIJN-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCC1(O)C[NH2+]C1 ZINC001245976138 1140840324 /nfs/dbraw/zinc/84/03/24/1140840324.db2.gz BIKPPKLJFITUIV-INIZCTEOSA-N 2 0 300.487 2.192 20 30 DEEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245978147 1140840473 /nfs/dbraw/zinc/84/04/73/1140840473.db2.gz JDZMXYAKFIFWOZ-ZJPYXAASSA-N 2 0 312.498 2.455 20 30 DEEDRP CCCCCCCCCC[C@H](O)C[NH+]1CCN(CC[NH3+])CC1 ZINC001246028321 1140849971 /nfs/dbraw/zinc/84/99/71/1140849971.db2.gz BETUJGXTIXRLFD-SFHVURJKSA-N 2 0 313.530 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001278487125 1141363889 /nfs/dbraw/zinc/36/38/89/1141363889.db2.gz LTCMYWODJXUZMY-YESZJQIVSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC001324498802 1142089125 /nfs/dbraw/zinc/08/91/25/1142089125.db2.gz XKVKGPJJUKBVMF-KRWDZBQOSA-N 2 0 321.509 2.252 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324558192 1142103077 /nfs/dbraw/zinc/10/30/77/1142103077.db2.gz YUJOHQMNAPDVCZ-LJQANCHMSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278564615 1142178254 /nfs/dbraw/zinc/17/82/54/1142178254.db2.gz JLSRAWSFEKUJMQ-CVEARBPZSA-N 2 0 307.482 2.311 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001252134346 1142651408 /nfs/dbraw/zinc/65/14/08/1142651408.db2.gz PNWHUGTUSGPLMN-GOSISDBHSA-N 2 0 314.514 2.392 20 30 DEEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001278656630 1142665760 /nfs/dbraw/zinc/66/57/60/1142665760.db2.gz NTBOQMRRKWZGCF-QGZVFWFLSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001253606113 1142883686 /nfs/dbraw/zinc/88/36/86/1142883686.db2.gz ZVKMDAZKCLSLCC-QGZVFWFLSA-N 2 0 313.445 2.311 20 30 DEEDRP COc1cc[nH+]c(N([C@@H]2CC[C@@H](C#N)C2)C2CC[NH2+]CC2)c1 ZINC001254676413 1143309719 /nfs/dbraw/zinc/30/97/19/1143309719.db2.gz LJTBIIBDHMZMDT-UKRRQHHQSA-N 2 0 300.406 2.341 20 30 DEEDRP N#Cc1ccc(CC[NH2+]C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256680081 1143861916 /nfs/dbraw/zinc/86/19/16/1143861916.db2.gz WXSPXINXRRCORJ-UHFFFAOYSA-N 2 0 313.445 2.334 20 30 DEEDRP C[NH+]1CCC(CN2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256972160 1143877558 /nfs/dbraw/zinc/87/75/58/1143877558.db2.gz SAMPVCJMFVIONZ-UHFFFAOYSA-N 2 0 304.482 2.028 20 30 DEEDRP N#Cc1ccc(C2CCC(NC(=[NH2+])NCCCC[NH3+])CC2)cc1 ZINC001257011602 1143879622 /nfs/dbraw/zinc/87/96/22/1143879622.db2.gz UZBWTDGDIROTKB-UHFFFAOYSA-N 2 0 313.449 2.437 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCSC)CC1 ZINC001258225198 1143985486 /nfs/dbraw/zinc/98/54/86/1143985486.db2.gz SNTMDLJANZZOFJ-QGZVFWFLSA-N 2 0 311.539 2.420 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001258727257 1144035936 /nfs/dbraw/zinc/03/59/36/1144035936.db2.gz CXKZDEOMQXVIAG-YVSFHVDLSA-N 2 0 303.454 2.027 20 30 DEEDRP C=CCOCc1nn(C2CC[NH+](CCC)CC2)c2c1C[NH2+]C2 ZINC001258774049 1144040703 /nfs/dbraw/zinc/04/07/03/1144040703.db2.gz URZDRFKPDDCZJC-UHFFFAOYSA-N 2 0 304.438 2.236 20 30 DEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001263184141 1144359888 /nfs/dbraw/zinc/35/98/88/1144359888.db2.gz LWAXRRAYJNYIOO-KGLIPLIRSA-N 2 0 319.440 2.425 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001263820678 1144400272 /nfs/dbraw/zinc/40/02/72/1144400272.db2.gz DWFLZTPNSIATFH-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001263957198 1144432583 /nfs/dbraw/zinc/43/25/83/1144432583.db2.gz ADXJPUUWHIBVLE-QZTJIDSGSA-N 2 0 321.509 2.348 20 30 DEEDRP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001264043237 1144448736 /nfs/dbraw/zinc/44/87/36/1144448736.db2.gz NYHLLXWOHSSUFW-QGZVFWFLSA-N 2 0 307.482 2.102 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001264424396 1144536581 /nfs/dbraw/zinc/53/65/81/1144536581.db2.gz GWBIWXAXSMWGLG-LUKYLMHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001264435370 1144539207 /nfs/dbraw/zinc/53/92/07/1144539207.db2.gz HICNWHNEFKCCTM-QAETUUGQSA-N 2 0 305.466 2.064 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001264497322 1144547272 /nfs/dbraw/zinc/54/72/72/1144547272.db2.gz QZJCBRGTPKZUHR-MRXNPFEDSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001264658132 1144587105 /nfs/dbraw/zinc/58/71/05/1144587105.db2.gz CQNSSBHNCDJPKG-KURKYZTESA-N 2 0 321.509 2.462 20 30 DEEDRP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001265026023 1144627961 /nfs/dbraw/zinc/62/79/61/1144627961.db2.gz QBQIAZJOCODSJB-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265286068 1144683106 /nfs/dbraw/zinc/68/31/06/1144683106.db2.gz MYVKDAGKDVSFTD-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001265334498 1144694950 /nfs/dbraw/zinc/69/49/50/1144694950.db2.gz SLRFNTPNAFAZPI-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266023282 1144791495 /nfs/dbraw/zinc/79/14/95/1144791495.db2.gz IWXMFVMYTLEZBB-KRWDZBQOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266062722 1144801776 /nfs/dbraw/zinc/80/17/76/1144801776.db2.gz CBMNVPFEJPUGBH-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001279288716 1144820296 /nfs/dbraw/zinc/82/02/96/1144820296.db2.gz LYSWOWMCDGRIKE-BZSNNMDCSA-N 2 0 321.509 2.417 20 30 DEEDRP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001280315949 1144835490 /nfs/dbraw/zinc/83/54/90/1144835490.db2.gz USFPDOBREPFZJS-GOSISDBHSA-N 2 0 315.461 2.405 20 30 DEEDRP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001280333137 1144835983 /nfs/dbraw/zinc/83/59/83/1144835983.db2.gz HDZWKYXXGCHHNB-UHFFFAOYSA-N 2 0 303.450 2.262 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001280746998 1144852498 /nfs/dbraw/zinc/85/24/98/1144852498.db2.gz NAMSLFXAYFZMQC-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001281834090 1144915875 /nfs/dbraw/zinc/91/58/75/1144915875.db2.gz UMHTZOQGOIIUTJ-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001282269816 1145026347 /nfs/dbraw/zinc/02/63/47/1145026347.db2.gz HUICHPZYGIHIOQ-VYMRPNJYSA-N 2 0 319.493 2.099 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284001294 1145744497 /nfs/dbraw/zinc/74/44/97/1145744497.db2.gz PVGVKKZSQGVFCM-IRXDYDNUSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001316638435 1146077936 /nfs/dbraw/zinc/07/79/36/1146077936.db2.gz VZIDSBKCXOKOIO-XLAORIBOSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001366460802 1147294815 /nfs/dbraw/zinc/29/48/15/1147294815.db2.gz MSKRZOHCQLVIRX-KGLIPLIRSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316807440 1147603825 /nfs/dbraw/zinc/60/38/25/1147603825.db2.gz XISJDYFOLNECLG-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001316937151 1147634730 /nfs/dbraw/zinc/63/47/30/1147634730.db2.gz JRMRQWCDTCOICY-MRXNPFEDSA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001316937246 1147635168 /nfs/dbraw/zinc/63/51/68/1147635168.db2.gz LQNHGGHSLNNOOA-KRWDZBQOSA-N 2 0 307.482 2.216 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317426150 1147705814 /nfs/dbraw/zinc/70/58/14/1147705814.db2.gz FHEWFEXXAOTUEX-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501853 1147716583 /nfs/dbraw/zinc/71/65/83/1147716583.db2.gz MHCVNLCDBNWMFZ-DOTOQJQBSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001317557784 1147725106 /nfs/dbraw/zinc/72/51/06/1147725106.db2.gz AACSVGNRRBKSPD-QGZVFWFLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001317597996 1147731027 /nfs/dbraw/zinc/73/10/27/1147731027.db2.gz DIQBPFOVDRKOPZ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001318216327 1147798092 /nfs/dbraw/zinc/79/80/92/1147798092.db2.gz MJTRWQPTVKXUJS-YESZJQIVSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001324752218 1147839780 /nfs/dbraw/zinc/83/97/80/1147839780.db2.gz PWVMZHIKXRZFMA-FUHWJXTLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001324802484 1147846757 /nfs/dbraw/zinc/84/67/57/1147846757.db2.gz FEZCEKMNHDLQHX-SFHVURJKSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001324943365 1147860415 /nfs/dbraw/zinc/86/04/15/1147860415.db2.gz GWVDSKOZPULWNP-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001326290191 1148070693 /nfs/dbraw/zinc/07/06/93/1148070693.db2.gz UNUNQUMSESFHEJ-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001326555283 1148142703 /nfs/dbraw/zinc/14/27/03/1148142703.db2.gz PDFGUIPOPSAOLC-ULQDDVLXSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCC1 ZINC001326859280 1148272073 /nfs/dbraw/zinc/27/20/73/1148272073.db2.gz IBFLIYAZEIXUHG-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001368205525 1148324554 /nfs/dbraw/zinc/32/45/54/1148324554.db2.gz BRRCGZCCWPDBGF-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP CC[C@]1(C)CCN(C(NC[C@@H]2C[N@H+](CC(C)C)CCO2)=[NH+]C)C1 ZINC000261660414 529395865 /nfs/dbraw/zinc/39/58/65/529395865.db2.gz AXTBDMYTVSEZLV-SJLPKXTDSA-N 2 0 324.513 2.041 20 30 DEEDRP C=CCNC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061970 366031690 /nfs/dbraw/zinc/03/16/90/366031690.db2.gz BENJLJSOIRUVJZ-HNNXBMFYSA-N 2 0 303.450 2.261 20 30 DEEDRP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523484 354535960 /nfs/dbraw/zinc/53/59/60/354535960.db2.gz JHECQCHHSRWXIZ-YJBOKZPZSA-N 2 0 322.497 2.093 20 30 DEEDRP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000083032482 355462527 /nfs/dbraw/zinc/46/25/27/355462527.db2.gz CDZFSVOUVJYTJQ-HOCLYGCPSA-N 2 0 316.449 2.146 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000181722332 356092725 /nfs/dbraw/zinc/09/27/25/356092725.db2.gz CDLWYUKNRKGBNF-INIZCTEOSA-N 2 0 322.497 2.201 20 30 DEEDRP C=CCc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc(OC)c1O ZINC000666952186 540368800 /nfs/dbraw/zinc/36/88/00/540368800.db2.gz JNSBRUZYLMMEOG-INIZCTEOSA-N 2 0 302.418 2.361 20 30 DEEDRP N#Cc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000595896439 358574784 /nfs/dbraw/zinc/57/47/84/358574784.db2.gz OOGGOAAWJVAZBB-OTWHNJEPSA-N 2 0 313.445 2.319 20 30 DEEDRP C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)Cc1ccccc1 ZINC000598715438 359303127 /nfs/dbraw/zinc/30/31/27/359303127.db2.gz QKRRDSVCZCLUNZ-QGZVFWFLSA-N 2 0 303.450 2.399 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000669385676 540823188 /nfs/dbraw/zinc/82/31/88/540823188.db2.gz VUWIHQDUHBCCRS-DLBZAZTESA-N 2 0 322.497 2.126 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)C(C)C ZINC000669385693 540823219 /nfs/dbraw/zinc/82/32/19/540823219.db2.gz HHMHMORHGLWDIX-DLBZAZTESA-N 2 0 322.497 2.126 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)C(C)C ZINC000669385646 540823458 /nfs/dbraw/zinc/82/34/58/540823458.db2.gz AJCYVSWRWKWFSQ-MRXNPFEDSA-N 2 0 322.497 2.208 20 30 DEEDRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271807999 209233512 /nfs/dbraw/zinc/23/35/12/209233512.db2.gz AFQDQYWQDQYNJF-INIZCTEOSA-N 2 0 314.477 2.452 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458331052 248263881 /nfs/dbraw/zinc/26/38/81/248263881.db2.gz HTHHGTQXDMDIHT-UHFFFAOYSA-N 2 0 310.486 2.056 20 30 DEEDRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C#N)c(F)c1 ZINC000346171821 146031009 /nfs/dbraw/zinc/03/10/09/146031009.db2.gz ICZBUSSAKYDLCL-ZDUSSCGKSA-N 2 0 305.397 2.052 20 30 DEEDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360650947 147366342 /nfs/dbraw/zinc/36/63/42/147366342.db2.gz ZSEYPEZGIAKEED-GOSISDBHSA-N 2 0 313.445 2.372 20 30 DEEDRP COc1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]2CCCC2)cc1 ZINC000104154170 402199303 /nfs/dbraw/zinc/19/93/03/402199303.db2.gz UIXRAHFOJINICQ-KRWDZBQOSA-N 2 0 318.465 2.311 20 30 DEEDRP C=CCNC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154729820 402228107 /nfs/dbraw/zinc/22/81/07/402228107.db2.gz AEQWTNWAKLQNCV-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP CCc1cnc(CNC(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)=[NH+]C)s1 ZINC000158515314 402306824 /nfs/dbraw/zinc/30/68/24/402306824.db2.gz VHWQZFYWGVEBQX-JSGCOSHPSA-N 2 0 323.510 2.099 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc(C#N)cc1Cl ZINC000176820428 402340570 /nfs/dbraw/zinc/34/05/70/402340570.db2.gz ILQNEJBJLDTPMZ-UHFFFAOYSA-N 2 0 323.872 2.316 20 30 DEEDRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(C#N)ccc1F ZINC000177379583 402396047 /nfs/dbraw/zinc/39/60/47/402396047.db2.gz ZGHMMPMVZNATGM-UHFFFAOYSA-N 2 0 318.440 2.155 20 30 DEEDRP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1=O ZINC000281200221 403060860 /nfs/dbraw/zinc/06/08/60/403060860.db2.gz NDJCVZORANLSQM-GOSISDBHSA-N 2 0 315.461 2.405 20 30 DEEDRP C#CCCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000271047465 403257769 /nfs/dbraw/zinc/25/77/69/403257769.db2.gz OTFWLEIRWBUVND-UHFFFAOYSA-N 2 0 315.461 2.162 20 30 DEEDRP CN1CC[NH+](CC2(C)CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000347242975 403634624 /nfs/dbraw/zinc/63/46/24/403634624.db2.gz YBNMAGZWXDHAFD-UHFFFAOYSA-N 2 0 306.498 2.276 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000295125680 403767264 /nfs/dbraw/zinc/76/72/64/403767264.db2.gz ZEGGHTQXQXYZOL-OAHLLOKOSA-N 2 0 315.417 2.249 20 30 DEEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000305078367 403823315 /nfs/dbraw/zinc/82/33/15/403823315.db2.gz LRPZBYHYRRFFKB-NUJGCVRESA-N 2 0 310.482 2.135 20 30 DEEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304492098 403793776 /nfs/dbraw/zinc/79/37/76/403793776.db2.gz MENLRYGXEGKXAA-ZFWWWQNUSA-N 2 0 304.438 2.145 20 30 DEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C#N)c1 ZINC000344160046 403948117 /nfs/dbraw/zinc/94/81/17/403948117.db2.gz WXKGUHIXPLMTAE-UHFFFAOYSA-N 2 0 314.477 2.408 20 30 DEEDRP C[C@@H]1CSCC[NH+](CC#CC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000342127148 404384732 /nfs/dbraw/zinc/38/47/32/404384732.db2.gz LRIPNMMJESEFSO-HOTGVXAUSA-N 2 0 312.548 2.360 20 30 DEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000371331848 404457667 /nfs/dbraw/zinc/45/76/67/404457667.db2.gz LCCVXPOQGJRQAY-KRWDZBQOSA-N 2 0 306.498 2.417 20 30 DEEDRP COc1ccccc1[C@@H](CNc1cc(C)ncc1C#N)[NH+](C)C ZINC000425197644 405256973 /nfs/dbraw/zinc/25/69/73/405256973.db2.gz CKWFXKFLDKDOIY-QGZVFWFLSA-N 2 0 310.401 2.407 20 30 DEEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423156309 405705928 /nfs/dbraw/zinc/70/59/28/405705928.db2.gz RZQIPECNKIBPRZ-MUQADHOPSA-N 2 0 300.402 2.175 20 30 DEEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423461815 405813559 /nfs/dbraw/zinc/81/35/59/405813559.db2.gz TVVHOZCHMXJBGW-KYJSFNMBSA-N 2 0 307.482 2.358 20 30 DEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000571624052 406543884 /nfs/dbraw/zinc/54/38/84/406543884.db2.gz HUQJAXXXKZYOSX-QAPCUYQASA-N 2 0 313.445 2.425 20 30 DEEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCCC#N)CC1 ZINC000130656273 196098507 /nfs/dbraw/zinc/09/85/07/196098507.db2.gz UXDDGAHHMXJTKX-UHFFFAOYSA-N 2 0 322.497 2.096 20 30 DEEDRP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)N1 ZINC000262628010 225279693 /nfs/dbraw/zinc/27/96/93/225279693.db2.gz DXHWMFQSWIZYGT-HUUCEWRRSA-N 2 0 300.450 2.356 20 30 DEEDRP C[NH+](C)CCOc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000264067977 225299175 /nfs/dbraw/zinc/29/91/75/225299175.db2.gz FMQSTEAAJQNZBI-UHFFFAOYSA-N 2 0 318.465 2.364 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCC[NH2+]1 ZINC000662663088 425706860 /nfs/dbraw/zinc/70/68/60/425706860.db2.gz LBTORVDDEFTHBF-AEFFLSMTSA-N 2 0 319.424 2.243 20 30 DEEDRP C=CC[C@]1(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCC[NH2+]1 ZINC000662692053 425714365 /nfs/dbraw/zinc/71/43/65/425714365.db2.gz VJAAEELRHFDULU-GOSISDBHSA-N 2 0 307.482 2.264 20 30 DEEDRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000517233841 340466316 /nfs/dbraw/zinc/46/63/16/340466316.db2.gz FIYCDGBVSFLEAE-CABCVRRESA-N 2 0 322.840 2.080 20 30 DEEDRP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001329765323 1148991255 /nfs/dbraw/zinc/99/12/55/1148991255.db2.gz NIMSPWQKYDEDEL-QZTJIDSGSA-N 2 0 321.509 2.203 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001358060274 1152359364 /nfs/dbraw/zinc/35/93/64/1152359364.db2.gz DXNSIDTUOKDGED-OAHLLOKOSA-N 2 0 309.841 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001329935708 1149018302 /nfs/dbraw/zinc/01/83/02/1149018302.db2.gz GKZAGPPYTYTMER-DLBZAZTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060408 782141099 /nfs/dbraw/zinc/14/10/99/782141099.db2.gz KLJIIWJGFOHSTQ-PBHICJAKSA-N 2 0 301.434 2.127 20 30 DEEDRP C[C@@H]1C[C@H](CCNC2=[NH+]CCN2C)C[N@@H+]1Cc1ccccc1 ZINC000262681838 533831159 /nfs/dbraw/zinc/83/11/59/533831159.db2.gz WMVYVYVLCXJWOX-WBVHZDCISA-N 2 0 300.450 2.178 20 30 DEEDRP CN/C(=[NH+]/C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262011414 526343839 /nfs/dbraw/zinc/34/38/39/526343839.db2.gz WQSOWQUWOJFRSV-DLBZAZTESA-N 2 0 300.450 2.178 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265217295 526384762 /nfs/dbraw/zinc/38/47/62/526384762.db2.gz QUSLOPQWRSALLC-UHFFFAOYSA-N 2 0 318.396 2.346 20 30 DEEDRP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001327494048 1148569544 /nfs/dbraw/zinc/56/95/44/1148569544.db2.gz VXKSHXNOSGEHPT-KRWDZBQOSA-N 2 0 305.466 2.019 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000294909085 526826614 /nfs/dbraw/zinc/82/66/14/526826614.db2.gz GCXCXLDPNBNCTA-KRWDZBQOSA-N 2 0 317.477 2.233 20 30 DEEDRP CCCNC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000264059925 528162537 /nfs/dbraw/zinc/16/25/37/528162537.db2.gz CMFFONYKTZNYPE-GJZGRUSLSA-N 2 0 318.465 2.110 20 30 DEEDRP CC1CC[NH+](Cc2ccccc2CNC2=[NH+]CCN2C)CC1 ZINC000262647381 528257343 /nfs/dbraw/zinc/25/73/43/528257343.db2.gz JMHOYUXXURWPQK-UHFFFAOYSA-N 2 0 300.450 2.310 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001368729783 1148622629 /nfs/dbraw/zinc/62/26/29/1148622629.db2.gz YHKXTNXSEVXZKT-KBPBESRZSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001382359023 1153434632 /nfs/dbraw/zinc/43/46/32/1153434632.db2.gz VQOJHAQHORAALM-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293754 625328016 /nfs/dbraw/zinc/32/80/16/625328016.db2.gz FVOPLHJBCZENEH-DLBZAZTESA-N 2 0 305.466 2.114 20 30 DEEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000925652627 625524221 /nfs/dbraw/zinc/52/42/21/625524221.db2.gz GYDGTCCTJZSJLK-CQSZACIVSA-N 2 0 304.438 2.440 20 30 DEEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970061341 623087737 /nfs/dbraw/zinc/08/77/37/623087737.db2.gz YBECIOPMXKJRJD-CQSZACIVSA-N 2 0 312.417 2.351 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970712645 623636198 /nfs/dbraw/zinc/63/61/98/623636198.db2.gz AGQYDZUUQDIKFC-HNNXBMFYSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970918393 623790754 /nfs/dbraw/zinc/79/07/54/623790754.db2.gz UOADLKZYWXJMDS-HNNXBMFYSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021698880 623980489 /nfs/dbraw/zinc/98/04/89/623980489.db2.gz FEJQXGZLYZKJKF-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021736119 624018971 /nfs/dbraw/zinc/01/89/71/624018971.db2.gz KSDXQXVUIWUHKT-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739092 624022352 /nfs/dbraw/zinc/02/23/52/624022352.db2.gz GKNQYXFVLAJKDJ-QZTJIDSGSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437844 624056050 /nfs/dbraw/zinc/05/60/50/624056050.db2.gz TYWBVRUITCYPJB-IAGOWNOFSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000998769002 634400233 /nfs/dbraw/zinc/40/02/33/634400233.db2.gz HQGQGYSUUIUVAF-KLHKWILBSA-N 2 0 319.493 2.406 20 30 DEEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972486229 625120820 /nfs/dbraw/zinc/12/08/20/625120820.db2.gz QWWWEHSBLUWLTG-DLBZAZTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023130244 625164889 /nfs/dbraw/zinc/16/48/89/625164889.db2.gz GEGPFTBUYMCHMK-GASCZTMLSA-N 2 0 321.852 2.351 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023410112 625257211 /nfs/dbraw/zinc/25/72/11/625257211.db2.gz ODYSWWLYLRWYEY-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027695454 634450319 /nfs/dbraw/zinc/45/03/19/634450319.db2.gz VRNTZVHKHLIQRK-MSOLQXFVSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCN1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462175 625788888 /nfs/dbraw/zinc/78/88/88/625788888.db2.gz PGDNOXBXVSJKTH-HNNXBMFYSA-N 2 0 319.474 2.027 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024469517 625799907 /nfs/dbraw/zinc/79/99/07/625799907.db2.gz SBARDBMMEHPACM-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000921686044 634651283 /nfs/dbraw/zinc/65/12/83/634651283.db2.gz MXVPDHGIYVOFBV-OAHLLOKOSA-N 2 0 314.477 2.148 20 30 DEEDRP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000156625 634767976 /nfs/dbraw/zinc/76/79/76/634767976.db2.gz GPECCLJGIMBSHE-DLBZAZTESA-N 2 0 319.493 2.264 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677486 633229554 /nfs/dbraw/zinc/22/95/54/633229554.db2.gz DXJQONYGXDYMDY-DLBZAZTESA-N 2 0 319.493 2.406 20 30 DEEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686912 633236309 /nfs/dbraw/zinc/23/63/09/633236309.db2.gz ZBTPJQAAMAQXMC-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996674781 633343263 /nfs/dbraw/zinc/34/32/63/633343263.db2.gz WWFPDOBHWKKGTP-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997180359 633669358 /nfs/dbraw/zinc/66/93/58/633669358.db2.gz PYKQDNWPFCFVHM-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000997370114 633721689 /nfs/dbraw/zinc/72/16/89/633721689.db2.gz SXJGKGSCJRJJCY-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001009633077 633766229 /nfs/dbraw/zinc/76/62/29/633766229.db2.gz GGJUAMLBMDBBPG-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473153 633855543 /nfs/dbraw/zinc/85/55/43/633855543.db2.gz GECMPMQGYOQGRR-IAGOWNOFSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588040 633887474 /nfs/dbraw/zinc/88/74/74/633887474.db2.gz URCXDKVPMMRKHL-RDJZCZTQSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997735315 633953407 /nfs/dbraw/zinc/95/34/07/633953407.db2.gz KUFYKTMMJRZUOD-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997951659 634073246 /nfs/dbraw/zinc/07/32/46/634073246.db2.gz YNNNYQYAYOQNQS-IAGOWNOFSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977656469 634083490 /nfs/dbraw/zinc/08/34/90/634083490.db2.gz QLJXCGJMBMHYDD-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998110695 634143003 /nfs/dbraw/zinc/14/30/03/634143003.db2.gz OCXZWCPPTKVIRW-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175359 634161105 /nfs/dbraw/zinc/16/11/05/634161105.db2.gz BYQSGQGKIJPTIT-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980138127 634858270 /nfs/dbraw/zinc/85/82/70/634858270.db2.gz AGDIFRJGRMGMBP-UAGQMJEPSA-N 2 0 324.428 2.351 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001000756430 635297822 /nfs/dbraw/zinc/29/78/22/635297822.db2.gz GWOWLGGLRZVCFN-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=C(C)C[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981330337 635437243 /nfs/dbraw/zinc/43/72/43/635437243.db2.gz DPXQBFPXXGSZHO-KRWDZBQOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001245097 635439413 /nfs/dbraw/zinc/43/94/13/635439413.db2.gz MCHIRNUNQMXOCB-MSOLQXFVSA-N 2 0 317.477 2.328 20 30 DEEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816042 635582543 /nfs/dbraw/zinc/58/25/43/635582543.db2.gz CNHDPCXEVHBXEW-LJQANCHMSA-N 2 0 312.461 2.338 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001002042128 635610491 /nfs/dbraw/zinc/61/04/91/635610491.db2.gz BDVXFLWZMHQMSJ-UHFFFAOYSA-N 2 0 316.449 2.166 20 30 DEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181320 635781994 /nfs/dbraw/zinc/78/19/94/635781994.db2.gz RDCJWTKIEFQEBZ-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(C#N)c2)CC1 ZINC000922166191 635948905 /nfs/dbraw/zinc/94/89/05/635948905.db2.gz RHYWJZFEULFRRN-UHFFFAOYSA-N 2 0 306.479 2.125 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774535 636122506 /nfs/dbraw/zinc/12/25/06/636122506.db2.gz BAUBDLWHLMZFES-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC000922388921 636141958 /nfs/dbraw/zinc/14/19/58/636141958.db2.gz RWRTYMSWUJRIJD-NCOADZHNSA-N 2 0 319.474 2.189 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623536 636475136 /nfs/dbraw/zinc/47/51/36/636475136.db2.gz LUFHTOMXXTZODN-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642312 636516007 /nfs/dbraw/zinc/51/60/07/636516007.db2.gz DNQKWQFNXRZENB-FGTMMUONSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805300 636749690 /nfs/dbraw/zinc/74/96/90/636749690.db2.gz MPDQEQHSNRASIK-KRWDZBQOSA-N 2 0 315.461 2.028 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870784 636801942 /nfs/dbraw/zinc/80/19/42/636801942.db2.gz VXFBAYVGJOHHFE-QGZVFWFLSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028902282 636831625 /nfs/dbraw/zinc/83/16/25/636831625.db2.gz SLGRWUYUIWWQHY-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309010 637108990 /nfs/dbraw/zinc/10/89/90/637108990.db2.gz HYSWGFODKLJJSL-QGZVFWFLSA-N 2 0 302.418 2.062 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000909466996 637654214 /nfs/dbraw/zinc/65/42/14/637654214.db2.gz GSWSPMVYPHZYCX-UHFFFAOYSA-N 2 0 305.422 2.203 20 30 DEEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000985695476 639588181 /nfs/dbraw/zinc/58/81/81/639588181.db2.gz WBAABVYRKLATBD-SJORKVTESA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000987122187 640092815 /nfs/dbraw/zinc/09/28/15/640092815.db2.gz CHZJVPUDQIPLSI-ZFWWWQNUSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000764265314 640619974 /nfs/dbraw/zinc/61/99/74/640619974.db2.gz JLTUFJPKZRPKIC-OAHLLOKOSA-N 2 0 309.479 2.365 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433503 641207436 /nfs/dbraw/zinc/20/74/36/641207436.db2.gz KQTYDZXCYXEXEG-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP CC[N@H+](CCC1CC[NH+](CC(=O)NCCC#N)CC1)CC(C)C ZINC000773733251 641817302 /nfs/dbraw/zinc/81/73/02/641817302.db2.gz WOPWEORUKAWSKW-UHFFFAOYSA-N 2 0 322.497 2.096 20 30 DEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792886 642095027 /nfs/dbraw/zinc/09/50/27/642095027.db2.gz WHIGLMIQJDRRAO-XLMAVXFVSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900179066 642282459 /nfs/dbraw/zinc/28/24/59/642282459.db2.gz FLKYERMDVNGCKK-SFHVURJKSA-N 2 0 315.461 2.275 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000901026642 642547623 /nfs/dbraw/zinc/54/76/23/642547623.db2.gz VFFCYQYNNXIQFZ-FUHWJXTLSA-N 2 0 315.461 2.274 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000901026644 642547852 /nfs/dbraw/zinc/54/78/52/642547852.db2.gz VFFCYQYNNXIQFZ-WMZOPIPTSA-N 2 0 315.461 2.274 20 30 DEEDRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902794727 643148550 /nfs/dbraw/zinc/14/85/50/643148550.db2.gz YPHRVVAMFRRRQI-MAUKXSAKSA-N 2 0 300.450 2.235 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907282708 644498201 /nfs/dbraw/zinc/49/82/01/644498201.db2.gz PPOBMTBPFQPYSF-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991621222 646548336 /nfs/dbraw/zinc/54/83/36/646548336.db2.gz HJCFKMLALZHUHP-IEBWSBKVSA-N 2 0 322.412 2.084 20 30 DEEDRP CC(=NNCC[NH+]1CCCCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814808666 646932032 /nfs/dbraw/zinc/93/20/32/646932032.db2.gz QWGVHRBROCKMRS-UHFFFAOYSA-N 2 0 314.477 2.174 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992432241 646998382 /nfs/dbraw/zinc/99/83/82/646998382.db2.gz PYICTJJDCUFTCC-SJLPKXTDSA-N 2 0 316.449 2.042 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992475490 647050411 /nfs/dbraw/zinc/05/04/11/647050411.db2.gz JTFIJPBYUQNDMO-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC000992715128 647194414 /nfs/dbraw/zinc/19/44/14/647194414.db2.gz RRRMNOJMTPJUQF-BPQIPLTHSA-N 2 0 319.493 2.264 20 30 DEEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848561675 651470973 /nfs/dbraw/zinc/47/09/73/651470973.db2.gz AZXNIAUKTSBLRQ-MAEOIBBWSA-N 2 0 300.450 2.466 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000848988988 651573111 /nfs/dbraw/zinc/57/31/11/651573111.db2.gz RHNNMXJRZWWCAB-AWEZNQCLSA-N 2 0 319.840 2.310 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1C ZINC000304813456 685261828 /nfs/dbraw/zinc/26/18/28/685261828.db2.gz YZGUCZHSEAIORY-JKSUJKDBSA-N 2 0 318.465 2.151 20 30 DEEDRP C#CCN(C)CCC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000392799091 685450757 /nfs/dbraw/zinc/45/07/57/685450757.db2.gz QNOLFMWMOJHSBK-HNNXBMFYSA-N 2 0 302.418 2.281 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(Cl)c1 ZINC000303784027 685234466 /nfs/dbraw/zinc/23/44/66/685234466.db2.gz OWVAVGVULMLMNE-LBPRGKRZSA-N 2 0 312.820 2.368 20 30 DEEDRP CCOCCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303868103 685236402 /nfs/dbraw/zinc/23/64/02/685236402.db2.gz AHZMWVNZPYPGFQ-MRXNPFEDSA-N 2 0 312.502 2.074 20 30 DEEDRP COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303886657 685237651 /nfs/dbraw/zinc/23/76/51/685237651.db2.gz KLRMILWJWJJCIF-ZDUSSCGKSA-N 2 0 320.437 2.162 20 30 DEEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)c1 ZINC000303900895 685238863 /nfs/dbraw/zinc/23/88/63/685238863.db2.gz SLEZZFZLVQJRPL-CYBMUJFWSA-N 2 0 320.437 2.162 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(C)cc1 ZINC000303971315 685241294 /nfs/dbraw/zinc/24/12/94/685241294.db2.gz DISWJADKGSMKFU-MRXNPFEDSA-N 2 0 318.465 2.153 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016618216 687665608 /nfs/dbraw/zinc/66/56/08/687665608.db2.gz QUBVPJIYPULHBN-HOTGVXAUSA-N 2 0 305.466 2.016 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662536 687677069 /nfs/dbraw/zinc/67/70/69/687677069.db2.gz KLONDYLSLBMASZ-SJORKVTESA-N 2 0 319.493 2.406 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016697812 687684069 /nfs/dbraw/zinc/68/40/69/687684069.db2.gz INOCJRVOQUPTQQ-QGZVFWFLSA-N 2 0 324.428 2.413 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016738486 687693726 /nfs/dbraw/zinc/69/37/26/687693726.db2.gz SOEUXEJPBURZQT-MRXNPFEDSA-N 2 0 310.401 2.105 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017694723 687940242 /nfs/dbraw/zinc/94/02/42/687940242.db2.gz ABWVNLFKVCNHDI-FGTMMUONSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001017951166 688008997 /nfs/dbraw/zinc/00/89/97/688008997.db2.gz ZORCOYVNKGIZIR-CALCHBBNSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001019855971 688417059 /nfs/dbraw/zinc/41/70/59/688417059.db2.gz QGAPKKWPGBHGNG-AWEZNQCLSA-N 2 0 305.422 2.112 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C(C)C ZINC000870864082 688671165 /nfs/dbraw/zinc/67/11/65/688671165.db2.gz TXXIZGVBQYIOTL-IXDOHACOSA-N 2 0 307.482 2.319 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730835 688987734 /nfs/dbraw/zinc/98/77/34/688987734.db2.gz ZMACJQIDQMSGIM-QGZVFWFLSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027039 689044831 /nfs/dbraw/zinc/04/48/31/689044831.db2.gz MHDLAENZBLSHBV-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001032119253 689066802 /nfs/dbraw/zinc/06/68/02/689066802.db2.gz JVJHKLGMHHDUPG-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083317 689381732 /nfs/dbraw/zinc/38/17/32/689381732.db2.gz ZQPXHOGIFRIHOR-AEFFLSMTSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470631 689513901 /nfs/dbraw/zinc/51/39/01/689513901.db2.gz BRKLBMWWDWXZBZ-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033684681 689583194 /nfs/dbraw/zinc/58/31/94/689583194.db2.gz HGAJTNDFMHOIDA-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033898314 689655088 /nfs/dbraw/zinc/65/50/88/689655088.db2.gz PXTNPJPIQCKSJM-KRWDZBQOSA-N 2 0 312.417 2.447 20 30 DEEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034212326 689764529 /nfs/dbraw/zinc/76/45/29/689764529.db2.gz XJOMYQYKQKZMRL-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034285334 689794929 /nfs/dbraw/zinc/79/49/29/689794929.db2.gz BTAJXABKCKQPJD-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486773 689869690 /nfs/dbraw/zinc/86/96/90/689869690.db2.gz LVCPHFBOFCWNBN-INIZCTEOSA-N 2 0 305.466 2.019 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000876712903 689912237 /nfs/dbraw/zinc/91/22/37/689912237.db2.gz FEUPLTLMJLRTRP-INIZCTEOSA-N 2 0 321.852 2.369 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000876724089 689915993 /nfs/dbraw/zinc/91/59/93/689915993.db2.gz NKRLUFJWSAFPDE-OAHLLOKOSA-N 2 0 315.889 2.427 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000876763169 689929724 /nfs/dbraw/zinc/92/97/24/689929724.db2.gz IOMISWWRTXLYKX-DZGCQCFKSA-N 2 0 309.841 2.093 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001034754280 689941038 /nfs/dbraw/zinc/94/10/38/689941038.db2.gz YKZFFYRJLLRFEP-QBPKDAKJSA-N 2 0 305.466 2.206 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC(C)C)CC2)CC1 ZINC001034800333 689950822 /nfs/dbraw/zinc/95/08/22/689950822.db2.gz YNVBRJHLHDOHIX-IYARVYRRSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035205055 690059575 /nfs/dbraw/zinc/05/95/75/690059575.db2.gz IBELHXCIQSQWIN-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035744616 690166389 /nfs/dbraw/zinc/16/63/89/690166389.db2.gz KDQJTAPOLKHUHQ-UHFFFAOYSA-N 2 0 324.428 2.448 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001036153227 690276573 /nfs/dbraw/zinc/27/65/73/690276573.db2.gz WEWDKJSLOMXCCK-HOCLYGCPSA-N 2 0 319.449 2.358 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001036269188 690306404 /nfs/dbraw/zinc/30/64/04/690306404.db2.gz ZUIQWFSMMRSPEK-MAUKXSAKSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000879167383 690582644 /nfs/dbraw/zinc/58/26/44/690582644.db2.gz GPENKNFMQIYXSD-INIZCTEOSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001037929156 690642805 /nfs/dbraw/zinc/64/28/05/690642805.db2.gz GJKIRTPXYDZGQJ-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001037973497 690654195 /nfs/dbraw/zinc/65/41/95/690654195.db2.gz ASSFSAURWRPFHC-HUUCEWRRSA-N 2 0 313.873 2.051 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179714 691040782 /nfs/dbraw/zinc/04/07/82/691040782.db2.gz DHSGQBACNLNOFT-MSOLQXFVSA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250942 691221127 /nfs/dbraw/zinc/22/11/27/691221127.db2.gz UVFACTQTXHDQPI-HKUYNNGSSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040391648 691241210 /nfs/dbraw/zinc/24/12/10/691241210.db2.gz QUSUAHYPOQCRNB-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430815 691246234 /nfs/dbraw/zinc/24/62/34/691246234.db2.gz CRGULKGAGYWRFI-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040542925 691263163 /nfs/dbraw/zinc/26/31/63/691263163.db2.gz GRAFEUBGJMFHBH-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040799010 691288833 /nfs/dbraw/zinc/28/88/33/691288833.db2.gz VTRASLDQLKWTQD-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041340762 691363139 /nfs/dbraw/zinc/36/31/39/691363139.db2.gz YMVCEUBOSAEFKC-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357415 691366531 /nfs/dbraw/zinc/36/65/31/691366531.db2.gz HFDWKKIHFVWQBV-MJGOQNOKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725276 691417981 /nfs/dbraw/zinc/41/79/81/691417981.db2.gz MUUYKZVFMLQFTA-HKUYNNGSSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041844629 691444602 /nfs/dbraw/zinc/44/46/02/691444602.db2.gz BIQHNEFQGFVNGE-MJGOQNOKSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234952 691542878 /nfs/dbraw/zinc/54/28/78/691542878.db2.gz PVBZUDKORXIUEC-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)C(C)C ZINC000884192142 691678951 /nfs/dbraw/zinc/67/89/51/691678951.db2.gz XDKLISFPHRFLNN-JKSUJKDBSA-N 2 0 307.482 2.047 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001044794650 691888370 /nfs/dbraw/zinc/88/83/70/691888370.db2.gz XNPJTVQISSKEKJ-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001045444556 691981794 /nfs/dbraw/zinc/98/17/94/691981794.db2.gz PBXKJNLZQZYUMY-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942813 692059235 /nfs/dbraw/zinc/05/92/35/692059235.db2.gz AFLUHOYTQRHABV-MJGOQNOKSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000886578519 692115796 /nfs/dbraw/zinc/11/57/96/692115796.db2.gz AHXFQPUUFPUENT-UHFFFAOYSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046563012 692225052 /nfs/dbraw/zinc/22/50/52/692225052.db2.gz ZHYYIRRUYZAKKI-AEFFLSMTSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047226967 692398046 /nfs/dbraw/zinc/39/80/46/692398046.db2.gz BTMGNZXIJKGVBJ-MSOLQXFVSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047226970 692398097 /nfs/dbraw/zinc/39/80/97/692398097.db2.gz BTMGNZXIJKGVBJ-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP 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 692648015 /nfs/dbraw/zinc/64/80/15/692648015.db2.gz RXBHRDMINBKNBA-UYTYNIKBSA-N 2 0 319.493 2.119 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049131031 692770735 /nfs/dbraw/zinc/77/07/35/692770735.db2.gz DDRNFJCHCGXRPT-HDICACEKSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531984 692913799 /nfs/dbraw/zinc/91/37/99/692913799.db2.gz FXRWSOSMHHCCAJ-IKGGRYGDSA-N 2 0 307.482 2.214 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001049553358 692919269 /nfs/dbraw/zinc/91/92/69/692919269.db2.gz UFPZATAGAPWOJI-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595041 692935927 /nfs/dbraw/zinc/93/59/27/692935927.db2.gz RJANZZREHNCGPR-ROUUACIJSA-N 2 0 322.412 2.037 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049727262 692977448 /nfs/dbraw/zinc/97/74/48/692977448.db2.gz ISXYBHLZRXFOFG-GVDBMIGSSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050047277 693091623 /nfs/dbraw/zinc/09/16/23/693091623.db2.gz VKAKOQHDVNABGD-OKZBNKHCSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050140654 693119137 /nfs/dbraw/zinc/11/91/37/693119137.db2.gz NXUMSFAMQYTCCK-OKZBNKHCSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764972 693246519 /nfs/dbraw/zinc/24/65/19/693246519.db2.gz DVNUWCDOQVKLQR-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001050765474 693247148 /nfs/dbraw/zinc/24/71/48/693247148.db2.gz RNANWMYCQUEROX-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052394199 693522678 /nfs/dbraw/zinc/52/26/78/693522678.db2.gz BAWUKHKFKJHVPU-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052497501 693549280 /nfs/dbraw/zinc/54/92/80/693549280.db2.gz CIWLRGCEAJDFOZ-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052651725 693588406 /nfs/dbraw/zinc/58/84/06/693588406.db2.gz MNTIHXKTJKGDDH-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001052652035 693589610 /nfs/dbraw/zinc/58/96/10/693589610.db2.gz RLAGAKLKNZEJBU-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764441 693614941 /nfs/dbraw/zinc/61/49/41/693614941.db2.gz PIBCIUZOUPKMHI-ZWKOTPCHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)Cc2ncc[nH]2)CC1 ZINC001332959505 1149935406 /nfs/dbraw/zinc/93/54/06/1149935406.db2.gz AFWLVBYNLOQKSQ-CQSZACIVSA-N 2 0 304.438 2.135 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001353536504 1151836981 /nfs/dbraw/zinc/83/69/81/1151836981.db2.gz ZGNAQPRSXFGPTH-XIRDDKMYSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001402826800 1162485920 /nfs/dbraw/zinc/48/59/20/1162485920.db2.gz NQQYZVSDBIHVOP-UHFFFAOYSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001390601084 1155811652 /nfs/dbraw/zinc/81/16/52/1155811652.db2.gz IFVXADMZIWYJEV-OAHLLOKOSA-N 2 0 313.873 2.053 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001392074100 1156862388 /nfs/dbraw/zinc/86/23/88/1156862388.db2.gz JBOUEZUVHWRZQN-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001393880430 1158040824 /nfs/dbraw/zinc/04/08/24/1158040824.db2.gz BYZSOTKWPGEWIO-UONOGXRCSA-N 2 0 301.862 2.002 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001393983699 1158133948 /nfs/dbraw/zinc/13/39/48/1158133948.db2.gz DQGBDHPBFXNKGT-KGLIPLIRSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001393983691 1158135245 /nfs/dbraw/zinc/13/52/45/1158135245.db2.gz DQGBDHPBFXNKGT-KBPBESRZSA-N 2 0 315.889 2.342 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001376936419 1159850723 /nfs/dbraw/zinc/85/07/23/1159850723.db2.gz OUMDSZKRLNQUDU-LSDHHAIUSA-N 2 0 313.873 2.051 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001401971228 1162202230 /nfs/dbraw/zinc/20/22/30/1162202230.db2.gz RYOVNODRYZSZKQ-AWEZNQCLSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001423173911 1173143120 /nfs/dbraw/zinc/14/31/20/1173143120.db2.gz RUPPNHLEMQJUQQ-CQSZACIVSA-N 2 0 301.862 2.051 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001423680556 1173486195 /nfs/dbraw/zinc/48/61/95/1173486195.db2.gz TYJWWJQPBUININ-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=C(Cl)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001436436717 1179096713 /nfs/dbraw/zinc/09/67/13/1179096713.db2.gz DEJIQMJUIHOKML-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438308817 1180337586 /nfs/dbraw/zinc/33/75/86/1180337586.db2.gz FMPYAGKJPSKULR-UONOGXRCSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001440670215 1181635686 /nfs/dbraw/zinc/63/56/86/1181635686.db2.gz BAVXVONIYQGVGZ-GJZGRUSLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001444732047 1183535369 /nfs/dbraw/zinc/53/53/69/1183535369.db2.gz WMPLEDIBOQVJCD-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001444827749 1183577579 /nfs/dbraw/zinc/57/75/79/1183577579.db2.gz MJXXZRPBWHXNCZ-HIFRSBDPSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001448233590 1185122544 /nfs/dbraw/zinc/12/25/44/1185122544.db2.gz GNOQZXKBERQIKP-UHFFFAOYSA-N 2 0 313.873 2.243 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001405526682 1164135399 /nfs/dbraw/zinc/13/53/99/1164135399.db2.gz UVDNKZYFYFRNFL-IHRRRGAJSA-N 2 0 301.862 2.096 20 30 DEEDRP C=CCC[NH+]1CCC(C2(NC(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001333179248 1150011160 /nfs/dbraw/zinc/01/11/60/1150011160.db2.gz BIBADWYZLAZFGO-UHFFFAOYSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334926 782772094 /nfs/dbraw/zinc/77/20/94/782772094.db2.gz LOGOVOSNKZHMDX-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089336814 782786189 /nfs/dbraw/zinc/78/61/89/782786189.db2.gz YIXSYQSPQNQEFN-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571026 782790445 /nfs/dbraw/zinc/79/04/45/782790445.db2.gz KHNSZXBRZUDQKV-KZNAEPCWSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600448 782804915 /nfs/dbraw/zinc/80/49/15/782804915.db2.gz ZKEXBNREYRWBPE-BRWVUGGUSA-N 2 0 309.498 2.367 20 30 DEEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001333432499 1150049335 /nfs/dbraw/zinc/04/93/35/1150049335.db2.gz AIEHQFUPZISWGR-KRWDZBQOSA-N 2 0 305.466 2.043 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386058 783062911 /nfs/dbraw/zinc/06/29/11/783062911.db2.gz MGQGJJJTCOVEAA-IRXDYDNUSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419421 783087181 /nfs/dbraw/zinc/08/71/81/783087181.db2.gz GDBWDJTXCLMNJS-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089459373 783126594 /nfs/dbraw/zinc/12/65/94/783126594.db2.gz UWRWPBJMEORMQS-MRXNPFEDSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001073048799 790416887 /nfs/dbraw/zinc/41/68/87/790416887.db2.gz JOTCBNZFQVBNMN-HNNXBMFYSA-N 2 0 316.449 2.089 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167223834 776780647 /nfs/dbraw/zinc/78/06/47/776780647.db2.gz BCGXQLRDXQWTEL-AWEZNQCLSA-N 2 0 313.873 2.099 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385384 776978815 /nfs/dbraw/zinc/97/88/15/776978815.db2.gz AQMWIVIUVNRJDK-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385361 776978985 /nfs/dbraw/zinc/97/89/85/776978985.db2.gz AEFAHBCPGBXNSW-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100507139 777079111 /nfs/dbraw/zinc/07/91/11/777079111.db2.gz XGUIPYOHTAPEPB-UHFFFAOYSA-N 2 0 312.417 2.399 20 30 DEEDRP CC#CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599620 777374181 /nfs/dbraw/zinc/37/41/81/777374181.db2.gz NIQNOIGPFRCMCN-UHFFFAOYSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104450039 777443684 /nfs/dbraw/zinc/44/36/84/777443684.db2.gz UAZWQCNFCZSOQF-KBAYOESNSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519037 777660374 /nfs/dbraw/zinc/66/03/74/777660374.db2.gz PKHMWZXIJJWRMI-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924988 778257459 /nfs/dbraw/zinc/25/74/59/778257459.db2.gz WIOHTVVPFNKNRC-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105067213 778322614 /nfs/dbraw/zinc/32/26/14/778322614.db2.gz RZQVEECMTMKCOT-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105067212 778323367 /nfs/dbraw/zinc/32/33/67/778323367.db2.gz RZQVEECMTMKCOT-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001073452545 790664281 /nfs/dbraw/zinc/66/42/81/790664281.db2.gz JIHRKPBHUKRQKP-UHFFFAOYSA-N 2 0 313.445 2.082 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601520 779372566 /nfs/dbraw/zinc/37/25/66/779372566.db2.gz VZAPGLGLUWNANW-IXDOHACOSA-N 2 0 307.482 2.119 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781378 779450134 /nfs/dbraw/zinc/45/01/34/779450134.db2.gz GOEUACURLSTMFX-ZWKOTPCHSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796921 779454129 /nfs/dbraw/zinc/45/41/29/779454129.db2.gz QUTYCWQWJDVOJV-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001088314960 779937933 /nfs/dbraw/zinc/93/79/33/779937933.db2.gz KYXDAFPFGYBNBD-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088381854 780051859 /nfs/dbraw/zinc/05/18/59/780051859.db2.gz OMJMWXQUVXPYQE-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001088394068 780064457 /nfs/dbraw/zinc/06/44/57/780064457.db2.gz VEGVHWLUQIQTCX-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001088393642 780065746 /nfs/dbraw/zinc/06/57/46/780065746.db2.gz KKGQRIQLNAWSFY-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001088429960 780114212 /nfs/dbraw/zinc/11/42/12/780114212.db2.gz DZGSEVHANPTTMP-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+](CC)CC)CCC1 ZINC001105568433 780767073 /nfs/dbraw/zinc/76/70/73/780767073.db2.gz PBUWCNRGIADENO-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168326800 780843148 /nfs/dbraw/zinc/84/31/48/780843148.db2.gz LUTLXKBAUXOUNG-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641333 783310093 /nfs/dbraw/zinc/31/00/93/783310093.db2.gz KVDIUJYOXUPOAW-IAGOWNOFSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966099101 783560729 /nfs/dbraw/zinc/56/07/29/783560729.db2.gz CHCZHANTOVLMDV-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001085217644 783587969 /nfs/dbraw/zinc/58/79/69/783587969.db2.gz KQGHJBLGXRHUDG-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085253889 783605712 /nfs/dbraw/zinc/60/57/12/783605712.db2.gz KNZRXLIWRRQVTJ-ZACQAIPSSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001091207308 791029105 /nfs/dbraw/zinc/02/91/05/791029105.db2.gz XHNKXGVLCMEFFW-UHFFFAOYSA-N 2 0 305.422 2.015 20 30 DEEDRP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134212 785050656 /nfs/dbraw/zinc/05/06/56/785050656.db2.gz RIZUTIXSEIFYGO-BJWYYQGGSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008746763 785293572 /nfs/dbraw/zinc/29/35/72/785293572.db2.gz JNVDAMGWQBMJGQ-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108786276 785533922 /nfs/dbraw/zinc/53/39/22/785533922.db2.gz WBAUMBKTQBKYDK-ULQDDVLXSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146608707 791323047 /nfs/dbraw/zinc/32/30/47/791323047.db2.gz ATORGAMVBAONGF-HUUCEWRRSA-N 2 0 315.889 2.488 20 30 DEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001091377728 791129186 /nfs/dbraw/zinc/12/91/86/791129186.db2.gz WRHFRIPQRCNUNT-UHFFFAOYSA-N 2 0 315.461 2.422 20 30 DEEDRP 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 785971936 /nfs/dbraw/zinc/97/19/36/785971936.db2.gz UCFRIQIHWNNONE-JCECYMMASA-N 2 0 319.493 2.404 20 30 DEEDRP C=CCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113154822 786418974 /nfs/dbraw/zinc/41/89/74/786418974.db2.gz CXZSQLIAUPCDAX-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724327 786724159 /nfs/dbraw/zinc/72/41/59/786724159.db2.gz UHANWYRJCSJWQI-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114040679 787073104 /nfs/dbraw/zinc/07/31/04/787073104.db2.gz AAULWGYRVYWZNK-VVLHAWIVSA-N 2 0 307.482 2.097 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493583 788104705 /nfs/dbraw/zinc/10/47/05/788104705.db2.gz MGPQCTGPYCHETR-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132925568 788228858 /nfs/dbraw/zinc/22/88/58/788228858.db2.gz YHAOSCHJJJIXAH-DLBZAZTESA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345579 788375043 /nfs/dbraw/zinc/37/50/43/788375043.db2.gz DVXOUZGFKLHHFR-HIFRSBDPSA-N 2 0 315.889 2.153 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043501 788422651 /nfs/dbraw/zinc/42/26/51/788422651.db2.gz IUBUEBVDPHSMJA-KURKYZTESA-N 2 0 313.445 2.269 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001134493686 788956087 /nfs/dbraw/zinc/95/60/87/788956087.db2.gz NBUFGHVPAAAFPK-STQMWFEESA-N 2 0 309.479 2.482 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888256 789127429 /nfs/dbraw/zinc/12/74/29/789127429.db2.gz LJHZBFLOOLMZDG-UONOGXRCSA-N 2 0 300.406 2.397 20 30 DEEDRP C=CCc1ccc(NC(=O)C(C)(C)C)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170897445 789643953 /nfs/dbraw/zinc/64/39/53/789643953.db2.gz HUYCNUMJVQMMNN-CQSZACIVSA-N 2 0 319.453 2.230 20 30 DEEDRP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957318 789987519 /nfs/dbraw/zinc/98/75/19/789987519.db2.gz GVJBTTJKESMJLL-WBVHZDCISA-N 2 0 307.482 2.262 20 30 DEEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@H]3CCC[NH2+]3)cc2)cc1 ZINC001171257198 791165644 /nfs/dbraw/zinc/16/56/44/791165644.db2.gz UJNPVKKCLOHLGT-MRXNPFEDSA-N 2 0 308.385 2.247 20 30 DEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459990 791633902 /nfs/dbraw/zinc/63/39/02/791633902.db2.gz VFZUXLCGJUZCIA-KURKYZTESA-N 2 0 313.445 2.269 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086956434 791864230 /nfs/dbraw/zinc/86/42/30/791864230.db2.gz NPBAJJMRQSCKEY-IAGOWNOFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943911 791909629 /nfs/dbraw/zinc/90/96/29/791909629.db2.gz JKPXQQVCLGFKFI-SCTDSRPQSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010905 791922955 /nfs/dbraw/zinc/92/29/55/791922955.db2.gz NRVRPJZJPXGTJM-SCTDSRPQSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001099029469 792047550 /nfs/dbraw/zinc/04/75/50/792047550.db2.gz COFHYWUAVNLTJP-LNLFQRSKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099236202 792146221 /nfs/dbraw/zinc/14/62/21/792146221.db2.gz WZIYPRDBWPTTJN-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100383015 792621712 /nfs/dbraw/zinc/62/17/12/792621712.db2.gz HNRJXIDYMLGOAB-OFLPRAFFSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100471066 792672086 /nfs/dbraw/zinc/67/20/86/792672086.db2.gz NFSRDIUDAZBNCG-JCYILVPMSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100614241 792750768 /nfs/dbraw/zinc/75/07/68/792750768.db2.gz KDENBPBIEDJCQF-UHFFFAOYSA-N 2 0 319.449 2.405 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380317 792897249 /nfs/dbraw/zinc/89/72/49/792897249.db2.gz QRDDWHCYZPVJKW-JFIYKMOQSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036039 792977600 /nfs/dbraw/zinc/97/76/00/792977600.db2.gz HGFFAAPFYCYEIC-DAWZGUTISA-N 2 0 319.493 2.005 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646065 793158234 /nfs/dbraw/zinc/15/82/34/793158234.db2.gz IBGNMGAXUXRMQP-ROUUACIJSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059112 793491024 /nfs/dbraw/zinc/49/10/24/793491024.db2.gz BIFNWJFJRKBJIN-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173333432 793680605 /nfs/dbraw/zinc/68/06/05/793680605.db2.gz LIIWPHNMUUBTML-GWEOLNPGSA-N 2 0 320.481 2.037 20 30 DEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649898 794041536 /nfs/dbraw/zinc/04/15/36/794041536.db2.gz KZDPRTCEIHXXBJ-INIZCTEOSA-N 2 0 307.482 2.149 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103436338 794092294 /nfs/dbraw/zinc/09/22/94/794092294.db2.gz UJLUAWWSVGTODJ-RCCFBDPRSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174962090 794112322 /nfs/dbraw/zinc/11/23/22/794112322.db2.gz PORWVRYBDQNINL-CQSZACIVSA-N 2 0 303.878 2.345 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001175747465 794277441 /nfs/dbraw/zinc/27/74/41/794277441.db2.gz PIWVCRVFDUVPGS-IRXDYDNUSA-N 2 0 309.498 2.251 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001176815679 794505648 /nfs/dbraw/zinc/50/56/48/794505648.db2.gz SYPIBPQUAFGCFR-KRWDZBQOSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177266431 794629166 /nfs/dbraw/zinc/62/91/66/794629166.db2.gz HMCIMJBCANNIRJ-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001177408531 794662834 /nfs/dbraw/zinc/66/28/34/794662834.db2.gz CHNASKLXSNJPKN-GOSISDBHSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001177415543 794665635 /nfs/dbraw/zinc/66/56/35/794665635.db2.gz BOYQWPZMGKPAAG-KRWDZBQOSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115161522 794693114 /nfs/dbraw/zinc/69/31/14/794693114.db2.gz HKJONVPCLJXLEC-VQFNDLOPSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115533396 794812671 /nfs/dbraw/zinc/81/26/71/794812671.db2.gz DHGGVPLOODPAFP-MRXNPFEDSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571520 794825278 /nfs/dbraw/zinc/82/52/78/794825278.db2.gz BYXNOPKMNGGPDF-QGZVFWFLSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579411 794828608 /nfs/dbraw/zinc/82/86/08/794828608.db2.gz MQKMNWHGPOSKOM-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730993 794899023 /nfs/dbraw/zinc/89/90/23/794899023.db2.gz XADNGCVSQBQEHY-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001178811122 795003016 /nfs/dbraw/zinc/00/30/16/795003016.db2.gz RILQKCYOLCMCML-ROUUACIJSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178828229 795007360 /nfs/dbraw/zinc/00/73/60/795007360.db2.gz RXKPNWZGBIIXTL-HNNXBMFYSA-N 2 0 315.889 2.489 20 30 DEEDRP CC#CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212197 795076135 /nfs/dbraw/zinc/07/61/35/795076135.db2.gz HVMLPOULFFEIAR-UHFFFAOYSA-N 2 0 307.482 2.150 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179398265 795104635 /nfs/dbraw/zinc/10/46/35/795104635.db2.gz DQWXRRANVBLBPQ-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179591251 795140343 /nfs/dbraw/zinc/14/03/43/795140343.db2.gz RJDVEMZUMMMOIA-IAGOWNOFSA-N 2 0 309.498 2.417 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C)[C@H]1C ZINC001180135576 795239397 /nfs/dbraw/zinc/23/93/97/795239397.db2.gz JLJWTGGRVHVUSI-DZKIICNBSA-N 2 0 304.438 2.125 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001120004771 795387243 /nfs/dbraw/zinc/38/72/43/795387243.db2.gz HBVUGXGDTPIRJT-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001120004768 795387770 /nfs/dbraw/zinc/38/77/70/795387770.db2.gz HBVUGXGDTPIRJT-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001120189396 795419576 /nfs/dbraw/zinc/41/95/76/795419576.db2.gz IYKWGIJZGVGDIH-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422804 795455861 /nfs/dbraw/zinc/45/58/61/795455861.db2.gz OOKWSGCSVJOJNF-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001121799037 795688966 /nfs/dbraw/zinc/68/89/66/795688966.db2.gz YTFCQICUNABVES-HVEGKCCWSA-N 2 0 307.482 2.310 20 30 DEEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001121924171 795705406 /nfs/dbraw/zinc/70/54/06/795705406.db2.gz PGHGLEXYGVBPPN-RFSHTEQGSA-N 2 0 319.493 2.003 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC001122005680 795715887 /nfs/dbraw/zinc/71/58/87/795715887.db2.gz QYIYMOCXZJZGHK-HNNXBMFYSA-N 2 0 316.449 2.061 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001182741334 795745813 /nfs/dbraw/zinc/74/58/13/795745813.db2.gz MNSYTZVOSBHNNX-IIDMSEBBSA-N 2 0 318.465 2.381 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001182822897 795762228 /nfs/dbraw/zinc/76/22/28/795762228.db2.gz NVYJDBRWRLBIBU-VQIMIIECSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082189 795796989 /nfs/dbraw/zinc/79/69/89/795796989.db2.gz NAOOBDMZDRJCIJ-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001183199339 795829625 /nfs/dbraw/zinc/82/96/25/795829625.db2.gz FTONNXAHYAVINL-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183867501 795954989 /nfs/dbraw/zinc/95/49/89/795954989.db2.gz DZOXJYLXAMLZAN-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185167186 796199804 /nfs/dbraw/zinc/19/98/04/796199804.db2.gz CXDHBPMOASZHFW-IAGOWNOFSA-N 2 0 321.509 2.369 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168699 796201301 /nfs/dbraw/zinc/20/13/01/796201301.db2.gz IUYQPJYXAZSJHG-IRXDYDNUSA-N 2 0 321.509 2.062 20 30 DEEDRP C#CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC001138345743 796201982 /nfs/dbraw/zinc/20/19/82/796201982.db2.gz NXFYNHPBFZYYMW-UHFFFAOYSA-N 2 0 316.445 2.481 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185525857 796278300 /nfs/dbraw/zinc/27/83/00/796278300.db2.gz GTCPEMMEMHYTIJ-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185546397 796288628 /nfs/dbraw/zinc/28/86/28/796288628.db2.gz BLWAMPYJTQQCLO-DLBZAZTESA-N 2 0 309.498 2.369 20 30 DEEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659736 796301077 /nfs/dbraw/zinc/30/10/77/796301077.db2.gz PSOFTDORFCVUNI-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185682790 796303039 /nfs/dbraw/zinc/30/30/39/796303039.db2.gz UFAFMLFIRKGCBA-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203103872 796649808 /nfs/dbraw/zinc/64/98/08/796649808.db2.gz NJCUASRBRQCHJZ-LSDHHAIUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203103869 796650062 /nfs/dbraw/zinc/65/00/62/796650062.db2.gz NJCUASRBRQCHJZ-CABCVRRESA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153653971 797371281 /nfs/dbraw/zinc/37/12/81/797371281.db2.gz LLMGZWZLGJXYOR-HZPDHXFCSA-N 2 0 315.477 2.459 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819127 797403279 /nfs/dbraw/zinc/40/32/79/797403279.db2.gz OSYYRQJQXPYJQR-IAGOWNOFSA-N 2 0 307.482 2.099 20 30 DEEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083098 797457631 /nfs/dbraw/zinc/45/76/31/797457631.db2.gz GRRJRVDCFJYABD-MRXNPFEDSA-N 2 0 318.465 2.311 20 30 DEEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192905260 797468304 /nfs/dbraw/zinc/46/83/04/797468304.db2.gz CZZVBOAAGQTGJE-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCCC)C2)CC1 ZINC001194245755 797699513 /nfs/dbraw/zinc/69/95/13/797699513.db2.gz DRYDIGPIRACHRK-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155622379 797808196 /nfs/dbraw/zinc/80/81/96/797808196.db2.gz VDDBTNMBGVQRBC-SJORKVTESA-N 2 0 307.482 2.099 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCCCCC)CC1 ZINC001152329887 798172076 /nfs/dbraw/zinc/17/20/76/798172076.db2.gz DBVUFWUFPGRLQZ-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158030986 798329520 /nfs/dbraw/zinc/32/95/20/798329520.db2.gz CRFDCQKLSNNCEG-IBGZPJMESA-N 2 0 319.493 2.411 20 30 DEEDRP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158473386 798412639 /nfs/dbraw/zinc/41/26/39/798412639.db2.gz KRWDJRFNAQLSRL-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175506 798658859 /nfs/dbraw/zinc/65/88/59/798658859.db2.gz VPYCBRKYTFEFNG-SJLPKXTDSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733652 798925920 /nfs/dbraw/zinc/92/59/20/798925920.db2.gz HLIBZGLMJCFTQE-UHFFFAOYSA-N 2 0 307.482 2.433 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161862739 798951496 /nfs/dbraw/zinc/95/14/96/798951496.db2.gz JGVGOPDYUNFQPR-AEFFLSMTSA-N 2 0 319.493 2.431 20 30 DEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673594 798958969 /nfs/dbraw/zinc/95/89/69/798958969.db2.gz IMKVQGHHAXPGOM-ZACQAIPSSA-N 2 0 305.466 2.158 20 30 DEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491949 799609589 /nfs/dbraw/zinc/60/95/89/799609589.db2.gz REYGHSMJACYELO-QGZVFWFLSA-N 2 0 307.482 2.456 20 30 DEEDRP C=C(C)CC[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736070 799936477 /nfs/dbraw/zinc/93/64/77/799936477.db2.gz CDAYXJNDOCHDFY-UHFFFAOYSA-N 2 0 317.477 2.466 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791395 800123913 /nfs/dbraw/zinc/12/39/13/800123913.db2.gz IEIQGUUFMCRAGC-CVEARBPZSA-N 2 0 307.482 2.310 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC001205052748 800290569 /nfs/dbraw/zinc/29/05/69/800290569.db2.gz BPJIXHGFNBZEGI-UHFFFAOYSA-N 2 0 308.223 2.491 20 30 DEEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205335328 800344807 /nfs/dbraw/zinc/34/48/07/800344807.db2.gz XDGDUGSGBZPRDZ-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205767627 800416616 /nfs/dbraw/zinc/41/66/16/800416616.db2.gz HQYIUTLDALUDMA-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206960141 800641413 /nfs/dbraw/zinc/64/14/13/800641413.db2.gz UZASKTLILONLHT-BRWVUGGUSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001207006923 800653864 /nfs/dbraw/zinc/65/38/64/800653864.db2.gz CKAZCICIARAHJP-BZUAXINKSA-N 2 0 318.465 2.409 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207538294 800773849 /nfs/dbraw/zinc/77/38/49/800773849.db2.gz MQUBFALBVYOBQG-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567848 800781596 /nfs/dbraw/zinc/78/15/96/800781596.db2.gz CHJZVPPHUGKSIG-HLLBOEOZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208471659 800991351 /nfs/dbraw/zinc/99/13/51/800991351.db2.gz WBCNMWMWWNBLFC-HNNXBMFYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=CCOC(=O)N1CCC2(CN(C[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208604136 801026642 /nfs/dbraw/zinc/02/66/42/801026642.db2.gz LDNVKXZVQDDNFH-MRXNPFEDSA-N 2 0 321.465 2.049 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001229641840 801300373 /nfs/dbraw/zinc/30/03/73/801300373.db2.gz SIWZGJHJYZABGQ-UHFFFAOYSA-N 2 0 307.482 2.102 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCCC)CC2)CC1 ZINC001230354676 801392029 /nfs/dbraw/zinc/39/20/29/801392029.db2.gz HDFJHHUJSAACER-UHFFFAOYSA-N 2 0 319.493 2.102 20 30 DEEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001230378173 801395100 /nfs/dbraw/zinc/39/51/00/801395100.db2.gz JRZCIHBUPTXCTI-GOSISDBHSA-N 2 0 319.493 2.101 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230614092 801436467 /nfs/dbraw/zinc/43/64/67/801436467.db2.gz WPUCIOQJCJVNOP-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214888981 801773253 /nfs/dbraw/zinc/77/32/53/801773253.db2.gz FIFDQCIMDAMSGV-IXDOHACOSA-N 2 0 307.482 2.264 20 30 DEEDRP COc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C#N ZINC001214998910 801788376 /nfs/dbraw/zinc/78/83/76/801788376.db2.gz NVXVTUSBFMILLO-UHFFFAOYSA-N 2 0 323.400 2.457 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1ncc[nH]1 ZINC001234011192 802266174 /nfs/dbraw/zinc/26/61/74/802266174.db2.gz JFIOBQXTRSFIMP-CABCVRRESA-N 2 0 304.438 2.230 20 30 DEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221617004 802598387 /nfs/dbraw/zinc/59/83/87/802598387.db2.gz ZPNWZGZQXMYZHU-GVDBMIGSSA-N 2 0 319.493 2.358 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714192 802606231 /nfs/dbraw/zinc/60/62/31/802606231.db2.gz RJUXMCRPFOGMTH-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221849118 802622537 /nfs/dbraw/zinc/62/25/37/802622537.db2.gz XGSQUCYKSGKOHN-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221878070 802623400 /nfs/dbraw/zinc/62/34/00/802623400.db2.gz ZPNCGIJTPDUSTD-ZACQAIPSSA-N 2 0 307.482 2.072 20 30 DEEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223471668 802792862 /nfs/dbraw/zinc/79/28/62/802792862.db2.gz CYZWZKOCIIEUMP-UHFFFAOYSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245916 802850981 /nfs/dbraw/zinc/85/09/81/802850981.db2.gz LCRQNGRHYQKDRZ-SJORKVTESA-N 2 0 307.482 2.216 20 30 DEEDRP C[N+](C)(C)CCCO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224624512 802888027 /nfs/dbraw/zinc/88/80/27/802888027.db2.gz WSYQFWWUUOPVDH-SFHVURJKSA-N 2 0 302.442 2.245 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225426744 802965147 /nfs/dbraw/zinc/96/51/47/802965147.db2.gz GDHZYLPCKJPFLS-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001225563674 802982801 /nfs/dbraw/zinc/98/28/01/802982801.db2.gz HYQYGJHEPBXMTG-UHFFFAOYSA-N 2 0 307.482 2.267 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001227986644 803302210 /nfs/dbraw/zinc/30/22/10/803302210.db2.gz IIKQIGZYSPIJDG-NVXWUHKLSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001328049965 1148707753 /nfs/dbraw/zinc/70/77/53/1148707753.db2.gz JKZLUXPZXZZIOY-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH+](C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001331073972 1149374346 /nfs/dbraw/zinc/37/43/46/1149374346.db2.gz FLSJBCBQTSRJTR-IYBDPMFKSA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001331558999 1149529296 /nfs/dbraw/zinc/52/92/96/1149529296.db2.gz CNAPPBCMJNBNGO-INIZCTEOSA-N 2 0 317.477 2.417 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001343375717 1150738393 /nfs/dbraw/zinc/73/83/93/1150738393.db2.gz JLBYLSHOKFKTFF-CVEARBPZSA-N 2 0 307.413 2.228 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001500444176 1058788452 /nfs/dbraw/zinc/78/84/52/1058788452.db2.gz HJDSYJWZHSQYQY-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501067987 1059254756 /nfs/dbraw/zinc/25/47/56/1059254756.db2.gz VUDZVFNXLULIOU-NVXWUHKLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001501121511 1059303952 /nfs/dbraw/zinc/30/39/52/1059303952.db2.gz HYBKECXBZVTULN-IRXDYDNUSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001502967172 1060409075 /nfs/dbraw/zinc/40/90/75/1060409075.db2.gz HLKYUXJHDSJLBW-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001505405609 1060540151 /nfs/dbraw/zinc/54/01/51/1060540151.db2.gz MTMXTBWVSHEPFN-INIZCTEOSA-N 2 0 304.438 2.279 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001505660718 1060831889 /nfs/dbraw/zinc/83/18/89/1060831889.db2.gz NYMJNBHRPKDPJJ-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001505786297 1060963218 /nfs/dbraw/zinc/96/32/18/1060963218.db2.gz RPZHRFNEQVZXOY-DAWZGUTISA-N 2 0 321.509 2.489 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001479830876 1061861167 /nfs/dbraw/zinc/86/11/67/1061861167.db2.gz RJNJUMHMVFCUOA-IRXDYDNUSA-N 2 0 321.509 2.347 20 30 DEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479965186 1062121332 /nfs/dbraw/zinc/12/13/32/1062121332.db2.gz NUFBJTGQAYVDOF-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480070810 1062272580 /nfs/dbraw/zinc/27/25/80/1062272580.db2.gz AMXFHMGJKUIPCY-CABCVRRESA-N 2 0 313.873 2.004 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001480384718 1062765327 /nfs/dbraw/zinc/76/53/27/1062765327.db2.gz CJRHWOKRUJCBQD-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387905 1062776054 /nfs/dbraw/zinc/77/60/54/1062776054.db2.gz UVSVOZNXXWVCNR-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507386510 1063207741 /nfs/dbraw/zinc/20/77/41/1063207741.db2.gz LZSIESDYPVKJER-IRXDYDNUSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH2+]CCc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001480716147 1063230305 /nfs/dbraw/zinc/23/03/05/1063230305.db2.gz GEIHTZKSEUDLOZ-UHFFFAOYSA-N 2 0 315.461 2.107 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001508035678 1063510522 /nfs/dbraw/zinc/51/05/22/1063510522.db2.gz HRUYSYJQSLWHCF-HNNXBMFYSA-N 2 0 307.482 2.169 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001493827250 1063979329 /nfs/dbraw/zinc/97/93/29/1063979329.db2.gz LZRLMLQCSUBQDR-DOTOQJQBSA-N 2 0 307.482 2.262 20 30 DEEDRP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493966174 1064047830 /nfs/dbraw/zinc/04/78/30/1064047830.db2.gz BHTJEQYBCKNBBJ-KRWDZBQOSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001494196778 1064168255 /nfs/dbraw/zinc/16/82/55/1064168255.db2.gz UEVCHQAVKBXQQU-GOSISDBHSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001494198635 1064169304 /nfs/dbraw/zinc/16/93/04/1064169304.db2.gz BVGXZROEIJYBGB-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001494204581 1064171861 /nfs/dbraw/zinc/17/18/61/1064171861.db2.gz DRCGQIYWHJWXLO-UHFFFAOYSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001567666127 1064329039 /nfs/dbraw/zinc/32/90/39/1064329039.db2.gz SOLKKBXECMTPHH-MSOLQXFVSA-N 2 0 315.461 2.351 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567692552 1064348154 /nfs/dbraw/zinc/34/81/54/1064348154.db2.gz COAGOCAALTYQLB-GOSISDBHSA-N 2 0 319.493 2.199 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001567692493 1064349716 /nfs/dbraw/zinc/34/97/16/1064349716.db2.gz BTKSTKQZLSAASZ-SFHVURJKSA-N 2 0 319.493 2.053 20 30 DEEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001568008097 1064591636 /nfs/dbraw/zinc/59/16/36/1064591636.db2.gz LTVGPDGWLNVZRC-SJORKVTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001568105774 1064649612 /nfs/dbraw/zinc/64/96/12/1064649612.db2.gz YEMHDSOSULOSNR-QBPKDAKJSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568393096 1064833006 /nfs/dbraw/zinc/83/30/06/1064833006.db2.gz CWSBHAJJQGEYHW-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001568551876 1064960508 /nfs/dbraw/zinc/96/05/08/1064960508.db2.gz WMFLGZSVKINYJO-UHFFFAOYSA-N 2 0 317.477 2.371 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001569317910 1065425777 /nfs/dbraw/zinc/42/57/77/1065425777.db2.gz HFMQTOSWVCCKLG-WMLDXEAASA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001569466811 1065525140 /nfs/dbraw/zinc/52/51/40/1065525140.db2.gz FYZRUPXMMFRSEZ-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCCC)CC1 ZINC001569591340 1065610937 /nfs/dbraw/zinc/61/09/37/1065610937.db2.gz JHAGGKKRCSYXCW-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001569668934 1065661004 /nfs/dbraw/zinc/66/10/04/1065661004.db2.gz DFOFDUFOVLBAAH-SJLPKXTDSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001569813453 1065734543 /nfs/dbraw/zinc/73/45/43/1065734543.db2.gz HVGMZGPNBPTHOW-CVEARBPZSA-N 2 0 319.493 2.099 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001496867967 1065764751 /nfs/dbraw/zinc/76/47/51/1065764751.db2.gz MNDQFRWLGIWOBL-HUUCEWRRSA-N 2 0 313.873 2.004 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001570255078 1065993094 /nfs/dbraw/zinc/99/30/94/1065993094.db2.gz OVDXBWCMUFJUGQ-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001570375114 1066039615 /nfs/dbraw/zinc/03/96/15/1066039615.db2.gz KWLZQWGZSURSBC-UHFFFAOYSA-N 2 0 324.428 2.250 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001570475390 1066087229 /nfs/dbraw/zinc/08/72/29/1066087229.db2.gz BVUFNMLAOKPEKF-HNNXBMFYSA-N 2 0 303.450 2.422 20 30 DEEDRP C=CCN1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001620772629 1066318539 /nfs/dbraw/zinc/31/85/39/1066318539.db2.gz ONPWAVRQNAUAAL-UHFFFAOYSA-N 2 0 317.477 2.367 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]cn2)[C@@H](C)C1 ZINC001499835052 1067353655 /nfs/dbraw/zinc/35/36/55/1067353655.db2.gz LOINPVQEVAFUIQ-LSDHHAIUSA-N 2 0 304.438 2.278 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001499843839 1067358122 /nfs/dbraw/zinc/35/81/22/1067358122.db2.gz JUKCWDDQLFLTMQ-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP N#C[C@H](c1ccccc1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001580036093 1067477614 /nfs/dbraw/zinc/47/76/14/1067477614.db2.gz NHHBVYGSAYGDDI-LJQANCHMSA-N 2 0 312.461 2.259 20 30 DEEDRP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001570564324 1068008597 /nfs/dbraw/zinc/00/85/97/1068008597.db2.gz VPVVPRHDUGKFBO-LEOMRAHMSA-N 2 0 319.493 2.454 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CC ZINC001483618571 1078634504 /nfs/dbraw/zinc/63/45/04/1078634504.db2.gz OYBJFUUEDZMGCP-GJZGRUSLSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001422051400 1078636148 /nfs/dbraw/zinc/63/61/48/1078636148.db2.gz GOISAFNQLLVSAZ-HUUCEWRRSA-N 2 0 315.889 2.297 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267177912 1078641691 /nfs/dbraw/zinc/64/16/91/1078641691.db2.gz ZJMMHOUSGOMGLE-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001570845819 1068137420 /nfs/dbraw/zinc/13/74/20/1068137420.db2.gz QQZIGBAXFNLLJG-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001571483903 1068338959 /nfs/dbraw/zinc/33/89/59/1068338959.db2.gz XRFURPSJRMDRSZ-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001571534893 1068403142 /nfs/dbraw/zinc/40/31/42/1068403142.db2.gz USPYMALPHFPTOM-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001571639548 1068453674 /nfs/dbraw/zinc/45/36/74/1068453674.db2.gz QPKIDQQLJVLOFK-CVEARBPZSA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001267307554 1078753052 /nfs/dbraw/zinc/75/30/52/1078753052.db2.gz AWDDRNYLFSJQDL-CQSZACIVSA-N 2 0 301.862 2.050 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267357868 1078790804 /nfs/dbraw/zinc/79/08/04/1078790804.db2.gz SQZVSYJVPPYPCO-ZWKOTPCHSA-N 2 0 315.461 2.492 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001483705820 1078830269 /nfs/dbraw/zinc/83/02/69/1078830269.db2.gz JIRHOIUUPVMUAC-IAGOWNOFSA-N 2 0 301.434 2.056 20 30 DEEDRP C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001574860379 1069279470 /nfs/dbraw/zinc/27/94/70/1069279470.db2.gz YFRUPLFERCCSFT-HDICACEKSA-N 2 0 317.477 2.160 20 30 DEEDRP C=CC[C@@]1(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)CCC[NH2+]1 ZINC001574892605 1069289259 /nfs/dbraw/zinc/28/92/59/1069289259.db2.gz HTZIRUHBBAQLTB-IBGZPJMESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267488305 1078914565 /nfs/dbraw/zinc/91/45/65/1078914565.db2.gz ITGOIVICSQIDSP-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267490145 1078915932 /nfs/dbraw/zinc/91/59/32/1078915932.db2.gz GZCLLEWHROUXQD-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001649471851 1079133429 /nfs/dbraw/zinc/13/34/29/1079133429.db2.gz LOCDVPLXYQMRRL-QZTJIDSGSA-N 2 0 321.509 2.395 20 30 DEEDRP CC#CC[N@@H+](CCNC(=O)[C@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001483813270 1079136897 /nfs/dbraw/zinc/13/68/97/1079136897.db2.gz LBODGRNOIAQXIO-SFHVURJKSA-N 2 0 321.509 2.491 20 30 DEEDRP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001496300100 1079246107 /nfs/dbraw/zinc/24/61/07/1079246107.db2.gz IVYAMDNGLXZAER-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484160001 1079334700 /nfs/dbraw/zinc/33/47/00/1079334700.db2.gz AEAWJNXQCPHUEO-JFIYKMOQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001649985073 1079339310 /nfs/dbraw/zinc/33/93/10/1079339310.db2.gz JQBRXTICPCOSQN-CYBMUJFWSA-N 2 0 316.232 2.097 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001565852559 1075197383 /nfs/dbraw/zinc/19/73/83/1075197383.db2.gz PITNEZDHNCZPQJ-XDNAFOTISA-N 2 0 319.493 2.454 20 30 DEEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001565923178 1075206456 /nfs/dbraw/zinc/20/64/56/1075206456.db2.gz VXRCQWIUQRPWPD-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001566717599 1075325411 /nfs/dbraw/zinc/32/54/11/1075325411.db2.gz RCAOYDISRMYRKQ-SFHVURJKSA-N 2 0 319.493 2.149 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566843914 1075359219 /nfs/dbraw/zinc/35/92/19/1075359219.db2.gz QOTLFOFZHQMPJV-IXDOHACOSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567167423 1075450761 /nfs/dbraw/zinc/45/07/61/1075450761.db2.gz OKNNHXDUBMAFCQ-IAGOWNOFSA-N 2 0 319.493 2.456 20 30 DEEDRP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001567178469 1075454790 /nfs/dbraw/zinc/45/47/90/1075454790.db2.gz OHTYRSUBTNAUBE-ROUUACIJSA-N 2 0 319.493 2.293 20 30 DEEDRP C=CC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001267844656 1079535256 /nfs/dbraw/zinc/53/52/56/1079535256.db2.gz UYRGUSPVVFKRLA-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001484571049 1079668162 /nfs/dbraw/zinc/66/81/62/1079668162.db2.gz KDHBOZCWOQWQPA-KZNAEPCWSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001481332736 1079727514 /nfs/dbraw/zinc/72/75/14/1079727514.db2.gz DILYLYSTJVEGOK-YJBOKZPZSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001484769375 1079786037 /nfs/dbraw/zinc/78/60/37/1079786037.db2.gz TUFHQQMSXXKHAI-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500154 1079958833 /nfs/dbraw/zinc/95/88/33/1079958833.db2.gz CXBGYJVDCFWHAX-ZWKOTPCHSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001481521918 1079991481 /nfs/dbraw/zinc/99/14/81/1079991481.db2.gz XECYWINFAIRZHS-IAGOWNOFSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CCOc1cccc(C[NH2+]CCCN2CC[NH+](CC)CC2)c1 ZINC001656037364 1080031490 /nfs/dbraw/zinc/03/14/90/1080031490.db2.gz XXSUIYXCWKNZTD-UHFFFAOYSA-N 2 0 317.477 2.369 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001656176441 1080060176 /nfs/dbraw/zinc/06/01/76/1080060176.db2.gz WKVQDGXXGATUBB-BBWFWOEESA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001656200695 1080064503 /nfs/dbraw/zinc/06/45/03/1080064503.db2.gz HNRJXIDYMLGOAB-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001485230265 1080077567 /nfs/dbraw/zinc/07/75/67/1080077567.db2.gz RPLBJUCQQZGKHU-LSDHHAIUSA-N 2 0 303.450 2.421 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001656546630 1080101549 /nfs/dbraw/zinc/10/15/49/1080101549.db2.gz LTNWDHJGGOLCSU-PMPSAXMXSA-N 2 0 313.461 2.069 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001279272056 1080120933 /nfs/dbraw/zinc/12/09/33/1080120933.db2.gz BMAJLNHVKUHVNW-QAQDUYKDSA-N 2 0 321.509 2.417 20 30 DEEDRP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001656899967 1080136514 /nfs/dbraw/zinc/13/65/14/1080136514.db2.gz WSNZWPNRWMUSAG-ZWKOTPCHSA-N 2 0 321.509 2.491 20 30 DEEDRP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001656905514 1080137441 /nfs/dbraw/zinc/13/74/41/1080137441.db2.gz ZPLWGEULEWSWMF-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001268193743 1080180752 /nfs/dbraw/zinc/18/07/52/1080180752.db2.gz WYIYVGPNEFRMLW-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP N#CCC[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001659618402 1080244835 /nfs/dbraw/zinc/24/48/35/1080244835.db2.gz QGNCZHJJPHCGGH-UHFFFAOYSA-N 2 0 316.405 2.353 20 30 DEEDRP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001660474100 1080337205 /nfs/dbraw/zinc/33/72/05/1080337205.db2.gz AJZOEWPRCCSHAS-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001481729500 1080397222 /nfs/dbraw/zinc/39/72/22/1080397222.db2.gz WDSUEACAXKQUOO-IAGOWNOFSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107036181 1080550786 /nfs/dbraw/zinc/55/07/86/1080550786.db2.gz HDIFXAZXOOIPKM-KZNAEPCWSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481879967 1080570714 /nfs/dbraw/zinc/57/07/14/1080570714.db2.gz BHACSADEYANHKA-IRXDYDNUSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001481963476 1080648941 /nfs/dbraw/zinc/64/89/41/1080648941.db2.gz LBOMAYOVIOJVBO-HKUYNNGSSA-N 2 0 319.493 2.150 20 30 DEEDRP C#CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001481963478 1080648946 /nfs/dbraw/zinc/64/89/46/1080648946.db2.gz LBOMAYOVIOJVBO-IEBWSBKVSA-N 2 0 319.493 2.150 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001662844896 1080666347 /nfs/dbraw/zinc/66/63/47/1080666347.db2.gz JWMNQDBGFQAIQL-SJORKVTESA-N 2 0 309.498 2.462 20 30 DEEDRP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001664442679 1080910779 /nfs/dbraw/zinc/91/07/79/1080910779.db2.gz NUQNWCUABBLHHQ-AEFFLSMTSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001665304928 1081011983 /nfs/dbraw/zinc/01/19/83/1081011983.db2.gz AWTXOUAFUPSMPY-OAHLLOKOSA-N 2 0 305.466 2.018 20 30 DEEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665646629 1081055984 /nfs/dbraw/zinc/05/59/84/1081055984.db2.gz AZYNTKYGUHOLNT-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001268979197 1081073126 /nfs/dbraw/zinc/07/31/26/1081073126.db2.gz ZKGMXBSPTKOCDB-YESZJQIVSA-N 2 0 307.482 2.358 20 30 DEEDRP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001666027167 1081112623 /nfs/dbraw/zinc/11/26/23/1081112623.db2.gz WUNSCUKJNZZIMZ-CRAIPNDOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001666219096 1081134279 /nfs/dbraw/zinc/13/42/79/1081134279.db2.gz MEPZCDNPVKSTRV-MSOLQXFVSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001666223499 1081135258 /nfs/dbraw/zinc/13/52/58/1081135258.db2.gz JWEWGJKHMQZYHH-UHFFFAOYSA-N 2 0 305.466 2.019 20 30 DEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001666323287 1081143802 /nfs/dbraw/zinc/14/38/02/1081143802.db2.gz JOTJPPXQEZYEAF-BRWVUGGUSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)C[NH+]1CCC(CCNC(=O)CCc2c[nH]cn2)CC1 ZINC001666368459 1081148578 /nfs/dbraw/zinc/14/85/78/1081148578.db2.gz ZRRZRQSTXRMBCS-UHFFFAOYSA-N 2 0 304.438 2.137 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666620922 1081167597 /nfs/dbraw/zinc/16/75/97/1081167597.db2.gz UZGCHOZGOYBGIZ-YOEHRIQHSA-N 2 0 313.461 2.117 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269296862 1081203260 /nfs/dbraw/zinc/20/32/60/1081203260.db2.gz SLZROENLGLCSPW-KRWDZBQOSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CCCC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001269425345 1081246321 /nfs/dbraw/zinc/24/63/21/1081246321.db2.gz PRGXNHKPBSHOCK-INIZCTEOSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001482219509 1081251546 /nfs/dbraw/zinc/25/15/46/1081251546.db2.gz KLKRENPODUIKON-MRXNPFEDSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001667472492 1081254538 /nfs/dbraw/zinc/25/45/38/1081254538.db2.gz ARJBLZSBEWPUGN-IRXDYDNUSA-N 2 0 309.498 2.413 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCCC1 ZINC001482237285 1081331104 /nfs/dbraw/zinc/33/11/04/1081331104.db2.gz WCLMDTWFDSYADW-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001493206131 1081364020 /nfs/dbraw/zinc/36/40/20/1081364020.db2.gz DVXBPYMFXZZPDO-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001269864483 1081386182 /nfs/dbraw/zinc/38/61/82/1081386182.db2.gz BSLHIHQOVCEXKE-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812633 1081409667 /nfs/dbraw/zinc/40/96/67/1081409667.db2.gz PMLBSDZOLAKHEQ-OWSLCNJRSA-N 2 0 317.477 2.158 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001270024774 1081430085 /nfs/dbraw/zinc/43/00/85/1081430085.db2.gz JVVMDKXEVTYINX-XSLAGTTESA-N 2 0 317.477 2.044 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001270050917 1081438847 /nfs/dbraw/zinc/43/88/47/1081438847.db2.gz RKBRWAUDYLLUGE-IAGOWNOFSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001270055112 1081439539 /nfs/dbraw/zinc/43/95/39/1081439539.db2.gz WASKCEAPBLRRNH-SFHVURJKSA-N 2 0 315.461 2.453 20 30 DEEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001669645180 1081461037 /nfs/dbraw/zinc/46/10/37/1081461037.db2.gz PUPOVKSAHAEFJC-DOTOQJQBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270486683 1081535452 /nfs/dbraw/zinc/53/54/52/1081535452.db2.gz OVISFZHSYMUVMG-WBVHZDCISA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001671748317 1081536610 /nfs/dbraw/zinc/53/66/10/1081536610.db2.gz SIUKKSFHRZDJOO-SFHVURJKSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001270513728 1081541189 /nfs/dbraw/zinc/54/11/89/1081541189.db2.gz REFWBCOSSACTDR-SFHVURJKSA-N 2 0 307.482 2.219 20 30 DEEDRP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001672356543 1081588542 /nfs/dbraw/zinc/58/85/42/1081588542.db2.gz WYDTUJUMYIRVQF-BCDXTJNWSA-N 2 0 319.493 2.408 20 30 DEEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001674154777 1081849567 /nfs/dbraw/zinc/84/95/67/1081849567.db2.gz MJVVRWWUGZADND-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001674352974 1081863367 /nfs/dbraw/zinc/86/33/67/1081863367.db2.gz JZOTVORXVAHFRR-QGZVFWFLSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001674687988 1081905771 /nfs/dbraw/zinc/90/57/71/1081905771.db2.gz XYCIXMVCTZPSBF-QWHCGFSZSA-N 2 0 300.406 2.315 20 30 DEEDRP C=CCOc1cccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC001648786121 1081927044 /nfs/dbraw/zinc/92/70/44/1081927044.db2.gz RMDHVONPNIEAJW-UHFFFAOYSA-N 2 0 317.477 2.369 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001271425330 1082036696 /nfs/dbraw/zinc/03/66/96/1082036696.db2.gz HQMCSQTZKLWCHO-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001271782991 1082153576 /nfs/dbraw/zinc/15/35/76/1082153576.db2.gz MEMOXJJYPCLGHW-QAQDUYKDSA-N 2 0 319.493 2.171 20 30 DEEDRP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001272016633 1082271653 /nfs/dbraw/zinc/27/16/53/1082271653.db2.gz SRLLIGOTUXXXJB-BRWVUGGUSA-N 2 0 305.466 2.112 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266819982 1082369584 /nfs/dbraw/zinc/36/95/84/1082369584.db2.gz HEKUSQZBGNAJDT-DLBZAZTESA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266852957 1082395927 /nfs/dbraw/zinc/39/59/27/1082395927.db2.gz BXZHPVSOLLEPSR-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266901891 1082441906 /nfs/dbraw/zinc/44/19/06/1082441906.db2.gz DJBPWUSBPCWRJV-ZBRFXRBCSA-N 2 0 317.477 2.016 20 30 DEEDRP C#CCC[NH+](C)CCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001272152271 1082607348 /nfs/dbraw/zinc/60/73/48/1082607348.db2.gz SBHSKZIVNAOIPD-SFHVURJKSA-N 2 0 315.461 2.093 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483227591 1082828648 /nfs/dbraw/zinc/82/86/48/1082828648.db2.gz LXYGYVWSBMTOBP-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483251583 1083057306 /nfs/dbraw/zinc/05/73/06/1083057306.db2.gz GGXHEVRICCHCEA-AWEZNQCLSA-N 2 0 315.889 2.488 20 30 DEEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001276839606 1083640290 /nfs/dbraw/zinc/64/02/90/1083640290.db2.gz KTMQMLBGWCWDIZ-RCCFBDPRSA-N 2 0 319.493 2.265 20 30 DEEDRP Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2)cc1C#N ZINC001277693730 1084098615 /nfs/dbraw/zinc/09/86/15/1084098615.db2.gz KNDRXYWLAUTLMJ-CALCHBBNSA-N 2 0 307.401 2.145 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001670923082 1084147017 /nfs/dbraw/zinc/14/70/17/1084147017.db2.gz IJXFZGZZHOTCQV-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001491260570 1084188461 /nfs/dbraw/zinc/18/84/61/1084188461.db2.gz ROQJNEGHUGNIQH-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP N#CCCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277943575 1084423421 /nfs/dbraw/zinc/42/34/21/1084423421.db2.gz ZFNXOKXNJOWMFT-UHFFFAOYSA-N 2 0 314.433 2.379 20 30 DEEDRP N#CCCCC[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001277947991 1084442457 /nfs/dbraw/zinc/44/24/57/1084442457.db2.gz DAQNJWFCTNRUKH-UHFFFAOYSA-N 2 0 315.465 2.365 20 30 DEEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001486156129 1085097512 /nfs/dbraw/zinc/09/75/12/1085097512.db2.gz TWGXRKOLMNARKP-WMZOPIPTSA-N 2 0 305.466 2.162 20 30 DEEDRP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001486175677 1085105190 /nfs/dbraw/zinc/10/51/90/1085105190.db2.gz GDRDXKXDAYCQJG-WMZOPIPTSA-N 2 0 319.493 2.243 20 30 DEEDRP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486246929 1085163819 /nfs/dbraw/zinc/16/38/19/1085163819.db2.gz VHLSUIQRPINGOG-HOTGVXAUSA-N 2 0 309.498 2.365 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000964211249 1085175361 /nfs/dbraw/zinc/17/53/61/1085175361.db2.gz FEVVYBYANWECAI-UHFFFAOYSA-N 2 0 317.477 2.208 20 30 DEEDRP CC#CC[N@H+](C)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001486368993 1085237553 /nfs/dbraw/zinc/23/75/53/1085237553.db2.gz GUVRRWUFZPPXBR-KRWDZBQOSA-N 2 0 307.482 2.053 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000965348778 1085595862 /nfs/dbraw/zinc/59/58/62/1085595862.db2.gz WUHBKYZSIYYWNN-FIXVGMIGSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000965842643 1085656167 /nfs/dbraw/zinc/65/61/67/1085656167.db2.gz UNJJSFNEYZEOLS-DKVCYUOUSA-N 2 0 319.493 2.310 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961284585 1085670295 /nfs/dbraw/zinc/67/02/95/1085670295.db2.gz NRDCHBITVPLXES-ROUUACIJSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000963599447 1086508294 /nfs/dbraw/zinc/50/82/94/1086508294.db2.gz UMDBQWJSJZQPSJ-UHFFFAOYSA-N 2 0 324.428 2.249 20 30 DEEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963787394 1086558825 /nfs/dbraw/zinc/55/88/25/1086558825.db2.gz IWABDNNSLHRUDI-RFSHTEQGSA-N 2 0 319.493 2.452 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603055 1088451038 /nfs/dbraw/zinc/45/10/38/1088451038.db2.gz MNOAWIOWGGSEDQ-SJORKVTESA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957606041 1088453066 /nfs/dbraw/zinc/45/30/66/1088453066.db2.gz WWFOGRABQJFSJZ-QGZVFWFLSA-N 2 0 319.493 2.219 20 30 DEEDRP 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 1088989048 /nfs/dbraw/zinc/98/90/48/1088989048.db2.gz SPRDPVZGJSKGNG-CBZIJGRNSA-N 2 0 319.493 2.119 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080992317 1089281228 /nfs/dbraw/zinc/28/12/28/1089281228.db2.gz FCVJLCROIIQMIE-CRAIPNDOSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957745 1090546523 /nfs/dbraw/zinc/54/65/23/1090546523.db2.gz UJJMWSSBANMRRM-SQNIBIBYSA-N 2 0 319.493 2.073 20 30 DEEDRP C[C@H]1C[C@@H]1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276032891 1091130563 /nfs/dbraw/zinc/13/05/63/1091130563.db2.gz QGZCUMNQPWRBCW-DOTOQJQBSA-N 2 0 312.461 2.451 20 30 DEEDRP C=CCN(CC[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2)C(=O)OCC ZINC001274929524 1091479696 /nfs/dbraw/zinc/47/96/96/1091479696.db2.gz QIUNLULMLLNFKP-SJORKVTESA-N 2 0 309.454 2.285 20 30 DEEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001276070851 1091508117 /nfs/dbraw/zinc/50/81/17/1091508117.db2.gz OJNZTSBYRLMBJX-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001273445295 1091769720 /nfs/dbraw/zinc/76/97/20/1091769720.db2.gz LJOAXWURTIISFX-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674259 1091877694 /nfs/dbraw/zinc/87/76/94/1091877694.db2.gz SMPFBJDXFYJCFG-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001273577777 1091932712 /nfs/dbraw/zinc/93/27/12/1091932712.db2.gz DTVDQURBNZGCAO-IRXDYDNUSA-N 2 0 309.498 2.463 20 30 DEEDRP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001273802302 1092062015 /nfs/dbraw/zinc/06/20/15/1092062015.db2.gz UONNRKWBEDHUGG-KRWDZBQOSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490197246 1093243367 /nfs/dbraw/zinc/24/33/67/1093243367.db2.gz WUHXUKRKNZHCQK-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001490312366 1093304789 /nfs/dbraw/zinc/30/47/89/1093304789.db2.gz OTTXLRPWCMTOBI-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480110124 1151656414 /nfs/dbraw/zinc/65/64/14/1151656414.db2.gz ZNMJEOWCMGAPMT-INIZCTEOSA-N 2 0 307.482 2.408 20 30 DEEDRP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277997152 1138393899 /nfs/dbraw/zinc/39/38/99/1138393899.db2.gz ISCBXUJPSKMHRJ-SJORKVTESA-N 2 0 309.498 2.489 20 30 DEEDRP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237467829 1138645337 /nfs/dbraw/zinc/64/53/37/1138645337.db2.gz TXOAJHMOPNBWEV-CVEARBPZSA-N 2 0 308.429 2.433 20 30 DEEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237753114 1138781393 /nfs/dbraw/zinc/78/13/93/1138781393.db2.gz DMCHIKPFQKRMLG-UHFFFAOYSA-N 2 0 308.857 2.137 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001318804824 1140424297 /nfs/dbraw/zinc/42/42/97/1140424297.db2.gz KVWRQEYQTLGHHB-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001319695906 1140669908 /nfs/dbraw/zinc/66/99/08/1140669908.db2.gz ILHGJDZQBYFLHO-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001319792420 1140720222 /nfs/dbraw/zinc/72/02/22/1140720222.db2.gz YHUKOVHFWGRPLY-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001245987304 1140841908 /nfs/dbraw/zinc/84/19/08/1140841908.db2.gz YXCRLZXIMPMHBZ-MHORFTMASA-N 2 0 312.498 2.312 20 30 DEEDRP C=CCOC[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001245997284 1140843459 /nfs/dbraw/zinc/84/34/59/1140843459.db2.gz CGWBJKOZQZESTN-ZWKOTPCHSA-N 2 0 322.424 2.020 20 30 DEEDRP Cc1ccc2c(c1)C1(C[C@H]2[NH2+][C@@H]2CCN[C@H](C#N)C2)CC[NH2+]CC1 ZINC001246123819 1140863894 /nfs/dbraw/zinc/86/38/94/1140863894.db2.gz FNUNAAOEZLWKSQ-JTDSTZFVSA-N 2 0 324.472 2.295 20 30 DEEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246306323 1140882977 /nfs/dbraw/zinc/88/29/77/1140882977.db2.gz TUFOFMZVZZSQKZ-QAPCUYQASA-N 2 0 315.417 2.101 20 30 DEEDRP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246361464 1140888217 /nfs/dbraw/zinc/88/82/17/1140888217.db2.gz LLPAYMWSCVQWCU-BEFAXECRSA-N 2 0 312.461 2.253 20 30 DEEDRP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001278460351 1141026809 /nfs/dbraw/zinc/02/68/09/1141026809.db2.gz RGWOMFZYWBXEDJ-MJGOQNOKSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001278486359 1141359365 /nfs/dbraw/zinc/35/93/65/1141359365.db2.gz GAGGXSPQNPZOGN-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278573726 1142218554 /nfs/dbraw/zinc/21/85/54/1142218554.db2.gz ZNXNMPYNIHBCKR-HZPDHXFCSA-N 2 0 324.428 2.154 20 30 DEEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC2CCCCC2)CC1 ZINC001252496201 1142734696 /nfs/dbraw/zinc/73/46/96/1142734696.db2.gz ZCXVJXJPESYNFS-LJQANCHMSA-N 2 0 324.509 2.432 20 30 DEEDRP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001278673807 1142775015 /nfs/dbraw/zinc/77/50/15/1142775015.db2.gz VWIUQVXCRNOPFH-SJORKVTESA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC001278690355 1142835542 /nfs/dbraw/zinc/83/55/42/1142835542.db2.gz PSENXSLURHWZTK-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCCCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254052681 1143032724 /nfs/dbraw/zinc/03/27/24/1143032724.db2.gz RGBFRKRJDFYRKW-UHFFFAOYSA-N 2 0 300.446 2.407 20 30 DEEDRP O=C(C[n+]1ccccc1)N=NC=C1C=C[NH2+]N1c1ccc(F)cc1 ZINC001339651663 1143070488 /nfs/dbraw/zinc/07/04/88/1143070488.db2.gz GIUMAEKQQVZELZ-UHFFFAOYSA-O 2 0 324.339 2.472 20 30 DEEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254522562 1143207920 /nfs/dbraw/zinc/20/79/20/1143207920.db2.gz ORXHYADGVPGDBK-BZSNNMDCSA-N 2 0 308.466 2.297 20 30 DEEDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254664136 1143304924 /nfs/dbraw/zinc/30/49/24/1143304924.db2.gz UKWQGJOYANCKID-WJFTUGDTSA-N 2 0 317.477 2.359 20 30 DEEDRP N#C[C@H]1CC[C@@H]([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001254664783 1143307703 /nfs/dbraw/zinc/30/77/03/1143307703.db2.gz XJGXNWFZWOYGCQ-JKSUJKDBSA-N 2 0 313.449 2.029 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001340626169 1143384643 /nfs/dbraw/zinc/38/46/43/1143384643.db2.gz FGNXULXSEGDVMT-BRWVUGGUSA-N 2 0 319.424 2.071 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001341733021 1143686511 /nfs/dbraw/zinc/68/65/11/1143686511.db2.gz NMCWSUHEKNXXPV-KRWDZBQOSA-N 2 0 316.449 2.061 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001341805040 1143714388 /nfs/dbraw/zinc/71/43/88/1143714388.db2.gz HPGZFIQBQWUJSE-ZWKOTPCHSA-N 2 0 315.461 2.403 20 30 DEEDRP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001279047894 1143954470 /nfs/dbraw/zinc/95/44/70/1143954470.db2.gz YVDRTYNFEVUTOQ-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP CCOC(=O)CC[C@@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001258487016 1144010590 /nfs/dbraw/zinc/01/05/90/1144010590.db2.gz NQTUWUWCEHJVKE-CYBMUJFWSA-N 2 0 305.422 2.385 20 30 DEEDRP C#CCCN1CCC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C1=O ZINC001258902484 1144052647 /nfs/dbraw/zinc/05/26/47/1144052647.db2.gz DDBQUAFIDONZFT-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001263184143 1144360145 /nfs/dbraw/zinc/36/01/45/1144360145.db2.gz LWAXRRAYJNYIOO-ZIAGYGMSSA-N 2 0 319.440 2.425 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCCC)C2)CC1 ZINC001263851838 1144411843 /nfs/dbraw/zinc/41/18/43/1144411843.db2.gz WNDUVGOUWJWNMH-MAEOIBBWSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001264022510 1144443544 /nfs/dbraw/zinc/44/35/44/1144443544.db2.gz IQTOOMGVCKDHNJ-IAGOWNOFSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001265366156 1144698606 /nfs/dbraw/zinc/69/86/06/1144698606.db2.gz JESRYGOBKLODSY-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265448096 1144704663 /nfs/dbraw/zinc/70/46/63/1144704663.db2.gz JMJAVFDAISXSTB-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265940096 1144764075 /nfs/dbraw/zinc/76/40/75/1144764075.db2.gz KHAWCOGRYVAQGH-ROUUACIJSA-N 2 0 315.461 2.446 20 30 DEEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001266005761 1144783009 /nfs/dbraw/zinc/78/30/09/1144783009.db2.gz DDZDOVKXUBLKFG-ZWKOTPCHSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266067302 1144802167 /nfs/dbraw/zinc/80/21/67/1144802167.db2.gz KTESAJSXGAIDAS-DLBZAZTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654746 1144826812 /nfs/dbraw/zinc/82/68/12/1144826812.db2.gz YBROQBVVHNTOOX-MRXNPFEDSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001279704306 1144827439 /nfs/dbraw/zinc/82/74/39/1144827439.db2.gz SVBBYUCKGBJEFN-KRWDZBQOSA-N 2 0 319.424 2.202 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001316601188 1144831477 /nfs/dbraw/zinc/83/14/77/1144831477.db2.gz NWEKHMNAQOHCHJ-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001280769715 1144854157 /nfs/dbraw/zinc/85/41/57/1144854157.db2.gz KFGOQXXMSOFJPW-HNNXBMFYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316614070 1144913344 /nfs/dbraw/zinc/91/33/44/1144913344.db2.gz CVTBXSKQSPSXBO-DMRKSPOLSA-N 2 0 307.482 2.166 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001282860887 1145180403 /nfs/dbraw/zinc/18/04/03/1145180403.db2.gz KEULSLMXJLCTTG-DDBAPUKQSA-N 2 0 319.493 2.119 20 30 DEEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001283331748 1145366164 /nfs/dbraw/zinc/36/61/64/1145366164.db2.gz HCFUAFHYUBNDAT-QGZVFWFLSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001283340038 1145368933 /nfs/dbraw/zinc/36/89/33/1145368933.db2.gz FFGLGJQICMSLST-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001284605586 1145878336 /nfs/dbraw/zinc/87/83/36/1145878336.db2.gz YQQWKXFEXQNMNR-SJORKVTESA-N 2 0 321.509 2.251 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365924967 1146912484 /nfs/dbraw/zinc/91/24/84/1146912484.db2.gz MZRVYCBSMRXDQE-UONOGXRCSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001365936965 1146923269 /nfs/dbraw/zinc/92/32/69/1146923269.db2.gz YQQYCXZCEHSUQU-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491955810 1147017578 /nfs/dbraw/zinc/01/75/78/1147017578.db2.gz WRSFWOCHTOWCQO-KRWDZBQOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491955811 1147019288 /nfs/dbraw/zinc/01/92/88/1147019288.db2.gz WRSFWOCHTOWCQO-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001317199436 1147272472 /nfs/dbraw/zinc/27/24/72/1147272472.db2.gz KSYHMTBHHVDGDE-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316773875 1147596828 /nfs/dbraw/zinc/59/68/28/1147596828.db2.gz YKODSFOUUGLKNM-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001316997091 1147646576 /nfs/dbraw/zinc/64/65/76/1147646576.db2.gz BZAVEIJITNDERV-INIZCTEOSA-N 2 0 305.466 2.018 20 30 DEEDRP CC#CC[NH+]1CCC(N(CCC)C(=O)CCC[NH+](C)C)CC1 ZINC001317006949 1147647664 /nfs/dbraw/zinc/64/76/64/1147647664.db2.gz UDUOPAVWLQGLEC-UHFFFAOYSA-N 2 0 307.482 2.055 20 30 DEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001317032925 1147650542 /nfs/dbraw/zinc/65/05/42/1147650542.db2.gz DDEXEOPQJFQFRH-DLBZAZTESA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001317048105 1147653104 /nfs/dbraw/zinc/65/31/04/1147653104.db2.gz FGQJOYIWGSCLRH-BBWFWOEESA-N 2 0 307.482 2.358 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317201945 1147675803 /nfs/dbraw/zinc/67/58/03/1147675803.db2.gz DPQROPZZXKZDNU-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317406416 1147702356 /nfs/dbraw/zinc/70/23/56/1147702356.db2.gz SETGAIVKHBMDSP-PBHICJAKSA-N 2 0 313.461 2.259 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317781413 1147751633 /nfs/dbraw/zinc/75/16/33/1147751633.db2.gz CSNQSAAAHGUDAD-IRXDYDNUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001318204533 1147796213 /nfs/dbraw/zinc/79/62/13/1147796213.db2.gz OAVBPYIOPYWJHS-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1CC ZINC001325367469 1147897052 /nfs/dbraw/zinc/89/70/52/1147897052.db2.gz VKEMBABQEMLPNO-GOSISDBHSA-N 2 0 315.461 2.278 20 30 DEEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001325642024 1147973683 /nfs/dbraw/zinc/97/36/83/1147973683.db2.gz DTBWTKATYOISGJ-BCDXTJNWSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001326290190 1148070224 /nfs/dbraw/zinc/07/02/24/1148070224.db2.gz UNUNQUMSESFHEJ-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001326469832 1148109177 /nfs/dbraw/zinc/10/91/77/1148109177.db2.gz VZMZOJSSZZGDHN-CRAIPNDOSA-N 2 0 315.461 2.317 20 30 DEEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001326555089 1148142665 /nfs/dbraw/zinc/14/26/65/1148142665.db2.gz KZFXHVDXUJCNNO-XLAORIBOSA-N 2 0 319.493 2.005 20 30 DEEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000079307429 185164166 /nfs/dbraw/zinc/16/41/66/185164166.db2.gz CFSFZROJHHULPM-HNNXBMFYSA-N 2 0 303.450 2.309 20 30 DEEDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181492162 199305857 /nfs/dbraw/zinc/30/58/57/199305857.db2.gz XPZSBDWQMVMTAU-MRXNPFEDSA-N 2 0 300.450 2.236 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000068084843 354795396 /nfs/dbraw/zinc/79/53/96/354795396.db2.gz IRKRZRIJYUVEHY-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000581240299 357153875 /nfs/dbraw/zinc/15/38/75/357153875.db2.gz KWJMUAPIBXBCCY-IRXDYDNUSA-N 2 0 322.497 2.065 20 30 DEEDRP C[C@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322337 358054772 /nfs/dbraw/zinc/05/47/72/358054772.db2.gz MDVBLVIKIVAQJV-KXBFYZLASA-N 2 0 312.461 2.110 20 30 DEEDRP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000180997747 199238646 /nfs/dbraw/zinc/23/86/46/199238646.db2.gz BWJAKUGNNFSKDU-HXUWFJFHSA-N 2 0 321.424 2.415 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237425363 202261855 /nfs/dbraw/zinc/26/18/55/202261855.db2.gz JCVBSEBHOAEOMS-WMLDXEAASA-N 2 0 301.434 2.089 20 30 DEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598724295 359306827 /nfs/dbraw/zinc/30/68/27/359306827.db2.gz NTXDSYJMGBDXAA-ROUUACIJSA-N 2 0 315.461 2.399 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000606371266 361000214 /nfs/dbraw/zinc/00/02/14/361000214.db2.gz FZSGXOJGHJRDME-IRXDYDNUSA-N 2 0 307.482 2.286 20 30 DEEDRP COCC#CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000678464403 541733029 /nfs/dbraw/zinc/73/30/29/541733029.db2.gz DRAOCNKDLKEEPF-UHFFFAOYSA-N 2 0 301.434 2.270 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC)C[C@@H]2CC)CC1 ZINC000458314580 248259812 /nfs/dbraw/zinc/25/98/12/248259812.db2.gz FAWFCZZWZVBXFB-KRWDZBQOSA-N 2 0 322.497 2.153 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000106263482 194192565 /nfs/dbraw/zinc/19/25/65/194192565.db2.gz QLELFPJYIJOBMN-MRXNPFEDSA-N 2 0 322.497 2.058 20 30 DEEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000538397942 285034164 /nfs/dbraw/zinc/03/41/64/285034164.db2.gz GGFWKTLXVYQSEC-MRXNPFEDSA-N 2 0 300.450 2.236 20 30 DEEDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000362033242 133206542 /nfs/dbraw/zinc/20/65/42/133206542.db2.gz SUPINIFMNSYMFL-QAPCUYQASA-N 2 0 312.461 2.377 20 30 DEEDRP CC[NH+](CC)CCOc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000104165894 402199752 /nfs/dbraw/zinc/19/97/52/402199752.db2.gz SLMNDKWLZDBUKM-UHFFFAOYSA-N 2 0 320.481 2.386 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000106323221 402213343 /nfs/dbraw/zinc/21/33/43/402213343.db2.gz IEZHXKDEUGEYQU-INIZCTEOSA-N 2 0 322.497 2.058 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000107328125 402230200 /nfs/dbraw/zinc/23/02/00/402230200.db2.gz ZHWSIHGBSVCNIL-UHFFFAOYSA-N 2 0 322.497 2.201 20 30 DEEDRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)ccn2)CC1 ZINC000185781438 402376371 /nfs/dbraw/zinc/37/63/71/402376371.db2.gz JHKUDNZZCPVAPB-DOTOQJQBSA-N 2 0 313.449 2.005 20 30 DEEDRP C=CCOc1cccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185878471 402385142 /nfs/dbraw/zinc/38/51/42/402385142.db2.gz JGQKWIWULCIFJE-KRWDZBQOSA-N 2 0 317.477 2.367 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000171734904 402616353 /nfs/dbraw/zinc/61/63/53/402616353.db2.gz XJMMKQGGQZLXSO-QGZVFWFLSA-N 2 0 322.497 2.056 20 30 DEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346847614 403605517 /nfs/dbraw/zinc/60/55/17/403605517.db2.gz DJDRWVYJVZQQFJ-JYJNAYRXSA-N 2 0 302.418 2.429 20 30 DEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000353388041 404819882 /nfs/dbraw/zinc/81/98/82/404819882.db2.gz POBSHVTWCVEIIT-MJGOQNOKSA-N 2 0 313.445 2.372 20 30 DEEDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353427811 404828689 /nfs/dbraw/zinc/82/86/89/404828689.db2.gz PFDOHIDAYIEEKE-IBGZPJMESA-N 2 0 312.461 2.163 20 30 DEEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353640415 404896611 /nfs/dbraw/zinc/89/66/11/404896611.db2.gz UQLXMXJBDPWCEZ-DNVCBOLYSA-N 2 0 312.461 2.161 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000417057955 405022472 /nfs/dbraw/zinc/02/24/72/405022472.db2.gz CUEHGTKPTUJJJB-QGZVFWFLSA-N 2 0 322.497 2.078 20 30 DEEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424149561 405023162 /nfs/dbraw/zinc/02/31/62/405023162.db2.gz WRIDPHAQTSUVDV-XHSDSOJGSA-N 2 0 308.470 2.024 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)C(C)C ZINC000417072231 405027381 /nfs/dbraw/zinc/02/73/81/405027381.db2.gz XAWQUCJVPLLTNU-SJORKVTESA-N 2 0 322.497 2.078 20 30 DEEDRP CC[NH+]1CCC(N2CCC[N@H+](CCC(C)(C)C#N)CC2)CC1 ZINC000420972995 405417884 /nfs/dbraw/zinc/41/78/84/405417884.db2.gz BSTOUVWTPCDWQB-UHFFFAOYSA-N 2 0 306.498 2.418 20 30 DEEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423386636 405785399 /nfs/dbraw/zinc/78/53/99/405785399.db2.gz MDEHFBHGJKIMBS-PKOBYXMFSA-N 2 0 312.461 2.382 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)OC[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000491771953 406710302 /nfs/dbraw/zinc/71/03/02/406710302.db2.gz RWVLYMWWPUMFPD-QGZVFWFLSA-N 2 0 306.450 2.138 20 30 DEEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)N1 ZINC000262680328 225281991 /nfs/dbraw/zinc/28/19/91/225281991.db2.gz VTJHDCQHYCIUJY-HCKVZZMMSA-N 2 0 324.831 2.409 20 30 DEEDRP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000267395203 225356642 /nfs/dbraw/zinc/35/66/42/225356642.db2.gz DWVKRHQOLALEJB-ZIAGYGMSSA-N 2 0 306.454 2.055 20 30 DEEDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422984960 230305498 /nfs/dbraw/zinc/30/54/98/230305498.db2.gz BSZQHUOHLQVDNV-RRQGHBQHSA-N 2 0 319.474 2.133 20 30 DEEDRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000422983199 230306159 /nfs/dbraw/zinc/30/61/59/230306159.db2.gz YWPDFHBLPSSLER-NUEKZKHPSA-N 2 0 316.424 2.254 20 30 DEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648763045 424902268 /nfs/dbraw/zinc/90/22/68/424902268.db2.gz USVGMKFBKFWHFM-MSOLQXFVSA-N 2 0 304.434 2.450 20 30 DEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000651830452 425148914 /nfs/dbraw/zinc/14/89/14/425148914.db2.gz UGZQRUXDDYPBBO-QZTJIDSGSA-N 2 0 321.509 2.117 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000654431308 425352454 /nfs/dbraw/zinc/35/24/54/425352454.db2.gz FFKQWMSHJUKPGC-UHFFFAOYSA-N 2 0 322.497 2.153 20 30 DEEDRP C=CC[C@]1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CCC[NH2+]1 ZINC000662814819 425742712 /nfs/dbraw/zinc/74/27/12/425742712.db2.gz NOCRSZURVIQXOW-MRXNPFEDSA-N 2 0 320.462 2.247 20 30 DEEDRP C=CC[C@@]1(C(=O)NCC2([NH+](C)C)CCCCCC2)CCC[NH2+]1 ZINC000662667385 425707571 /nfs/dbraw/zinc/70/75/71/425707571.db2.gz ZBJRBVCSNCTYRS-SFHVURJKSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662682178 425713034 /nfs/dbraw/zinc/71/30/34/425713034.db2.gz HPPZTJSCXNVUBC-FUHWJXTLSA-N 2 0 307.482 2.313 20 30 DEEDRP C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)CN1CC[NH+](C)CC1 ZINC000353430373 278209792 /nfs/dbraw/zinc/20/97/92/278209792.db2.gz WTGFOLATARNCBD-DNVCBOLYSA-N 2 0 312.461 2.019 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000174776087 340395904 /nfs/dbraw/zinc/39/59/04/340395904.db2.gz WNSFPFZYSXRNGJ-UHFFFAOYSA-N 2 0 322.497 2.058 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001378456186 1152336853 /nfs/dbraw/zinc/33/68/53/1152336853.db2.gz WKZCYEXQAQLTSL-HDJSIYSDSA-N 2 0 301.862 2.096 20 30 DEEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329938827 1149019628 /nfs/dbraw/zinc/01/96/28/1149019628.db2.gz RQLQIEXXWHLSPB-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001378712261 1152421122 /nfs/dbraw/zinc/42/11/22/1152421122.db2.gz DOCFOVWGPZMECQ-UHFFFAOYSA-N 2 0 301.862 2.099 20 30 DEEDRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422980064 533873076 /nfs/dbraw/zinc/87/30/76/533873076.db2.gz OQZCEKLBEMKNEL-HIFRSBDPSA-N 2 0 304.413 2.383 20 30 DEEDRP C#CCC[NH2+]C1(CC)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001327492189 1148567867 /nfs/dbraw/zinc/56/78/67/1148567867.db2.gz GXELMCXOMLBVMG-UHFFFAOYSA-N 2 0 319.493 2.247 20 30 DEEDRP C[NH+]=C(NCCC[N@H+](C)Cc1ccccc1)NCc1ccco1 ZINC000264059200 526354133 /nfs/dbraw/zinc/35/41/33/526354133.db2.gz OWVYLTFJGRXMLT-UHFFFAOYSA-N 2 0 314.433 2.467 20 30 DEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423100200 526888680 /nfs/dbraw/zinc/88/86/80/526888680.db2.gz GPRUOYULHDZVSP-CEXWTWQISA-N 2 0 316.445 2.498 20 30 DEEDRP CCOCc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000264073630 529063286 /nfs/dbraw/zinc/06/32/86/529063286.db2.gz DXSMYRWUBZIVHY-QGZVFWFLSA-N 2 0 318.465 2.112 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264162718 529070430 /nfs/dbraw/zinc/07/04/30/529070430.db2.gz BKZQHPWUEARQQL-OFLPRAFFSA-N 2 0 300.450 2.321 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001330599856 1149207979 /nfs/dbraw/zinc/20/79/79/1149207979.db2.gz SUJXPNPYPWITJT-LAQRGFTBSA-N 2 0 319.493 2.167 20 30 DEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000925652626 625524426 /nfs/dbraw/zinc/52/44/26/625524426.db2.gz GYDGTCCTJZSJLK-AWEZNQCLSA-N 2 0 304.438 2.440 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001026572036 625531795 /nfs/dbraw/zinc/53/17/95/625531795.db2.gz ZJZZKRWNLTXYEH-JCYILVPMSA-N 2 0 307.482 2.452 20 30 DEEDRP C=CC[C@H]1CCN1C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000890552605 622655551 /nfs/dbraw/zinc/65/55/51/622655551.db2.gz MRYGKXNPVSJJMM-SFHVURJKSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969832316 622942557 /nfs/dbraw/zinc/94/25/57/622942557.db2.gz GKIPBJXHQLXQDB-PBHICJAKSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000970319075 623400620 /nfs/dbraw/zinc/40/06/20/623400620.db2.gz RBKLFILCNGYYEQ-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001022082221 624194427 /nfs/dbraw/zinc/19/44/27/624194427.db2.gz XPUQLZBLRCXDLP-OAGGEKHMSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022585227 624761587 /nfs/dbraw/zinc/76/15/87/624761587.db2.gz LPFZXSFOSHZWSO-SOUVJXGZSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506889 624927951 /nfs/dbraw/zinc/92/79/51/624927951.db2.gz UDJIOKRTTQGBJY-GDBMZVCRSA-N 2 0 312.417 2.493 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022806872 624937497 /nfs/dbraw/zinc/93/74/97/624937497.db2.gz COWGILAESLZFBS-QLFBSQMISA-N 2 0 313.873 2.239 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007785303 625172895 /nfs/dbraw/zinc/17/28/95/625172895.db2.gz DLLCIQBVKRKWSA-INIZCTEOSA-N 2 0 305.466 2.162 20 30 DEEDRP C[C@H](CCNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCCC1 ZINC000181500913 625222410 /nfs/dbraw/zinc/22/24/10/625222410.db2.gz BYZZARICSUTXJM-MRXNPFEDSA-N 2 0 302.466 2.398 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436421 625762838 /nfs/dbraw/zinc/76/28/38/625762838.db2.gz CVUBSWDMPQRPKY-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001024440523 625778623 /nfs/dbraw/zinc/77/86/23/625778623.db2.gz QOVRLBOBXQDKEB-KRWDZBQOSA-N 2 0 324.428 2.250 20 30 DEEDRP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024615679 625935868 /nfs/dbraw/zinc/93/58/68/625935868.db2.gz YVUIPMPPDHKLTL-ZWKOTPCHSA-N 2 0 319.493 2.102 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999574269 634634530 /nfs/dbraw/zinc/63/45/30/634634530.db2.gz MRXSLIWGUMFJEI-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000999875933 634697926 /nfs/dbraw/zinc/69/79/26/634697926.db2.gz FEXLXJNNDNTXHM-NRXISQOPSA-N 2 0 313.873 2.192 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000024565 634729134 /nfs/dbraw/zinc/72/91/34/634729134.db2.gz DNJQNPKOPLIKGB-HNNXBMFYSA-N 2 0 305.422 2.112 20 30 DEEDRP C=CC[NH2+][C@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995906619 633134175 /nfs/dbraw/zinc/13/41/75/633134175.db2.gz SAKQGFXCEURTIX-CVEARBPZSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974660759 633205844 /nfs/dbraw/zinc/20/58/44/633205844.db2.gz WACIEURZFRANGY-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC000996168689 633206156 /nfs/dbraw/zinc/20/61/56/633206156.db2.gz KQPRXIFCCCUVKC-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729384 633269596 /nfs/dbraw/zinc/26/95/96/633269596.db2.gz LUWUGWBBGOMCSJ-INIZCTEOSA-N 2 0 319.493 2.265 20 30 DEEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1(C)C ZINC000996507595 633269689 /nfs/dbraw/zinc/26/96/89/633269689.db2.gz QFKXUMCZNDGXGV-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974762512 633295773 /nfs/dbraw/zinc/29/57/73/633295773.db2.gz ZTVRPSMOKBKNRO-HZPDHXFCSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996667869 633339542 /nfs/dbraw/zinc/33/95/42/633339542.db2.gz FSVABWYEPFXZHG-KRWDZBQOSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974996966 633384218 /nfs/dbraw/zinc/38/42/18/633384218.db2.gz PRLYIXGSZBOITN-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000996798347 633432426 /nfs/dbraw/zinc/43/24/26/633432426.db2.gz MZOZOOSHHQJSIE-UHFFFAOYSA-N 2 0 318.808 2.281 20 30 DEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997098052 633575501 /nfs/dbraw/zinc/57/55/01/633575501.db2.gz PESCRCRBGLXEOP-BFYDXBDKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997171196 633660119 /nfs/dbraw/zinc/66/01/19/633660119.db2.gz QUXZDGSNQFBSCJ-MRXNPFEDSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997179480 633665299 /nfs/dbraw/zinc/66/52/99/633665299.db2.gz BAZNPTLCIRRYAH-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001027541623 634060895 /nfs/dbraw/zinc/06/08/95/634060895.db2.gz WGWTVBRDAQWTOH-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997951658 634074107 /nfs/dbraw/zinc/07/41/07/634074107.db2.gz YNNNYQYAYOQNQS-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980189462 634884978 /nfs/dbraw/zinc/88/49/78/634884978.db2.gz WVSLRGGTQBJKCL-BZSNNMDCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001000671462 635271934 /nfs/dbraw/zinc/27/19/34/635271934.db2.gz HIQFTLPYPQGKCC-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000767244 635290140 /nfs/dbraw/zinc/29/01/40/635290140.db2.gz MYAGAWANRFQXHI-SFHVURJKSA-N 2 0 319.493 2.289 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981428506 635475706 /nfs/dbraw/zinc/47/57/06/635475706.db2.gz YLPXEAFZPKGJAD-UHFFFAOYSA-N 2 0 319.493 2.363 20 30 DEEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000981438170 635483227 /nfs/dbraw/zinc/48/32/27/635483227.db2.gz KGVMEFNZMRLUIE-IRXDYDNUSA-N 2 0 305.466 2.114 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001001523348 635521683 /nfs/dbraw/zinc/52/16/83/635521683.db2.gz RVMLGSWQVXVWQX-ZWKOTPCHSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001001635091 635536394 /nfs/dbraw/zinc/53/63/94/635536394.db2.gz GXIGIAMREHNVNL-UHFFFAOYSA-N 2 0 312.417 2.352 20 30 DEEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816041 635582219 /nfs/dbraw/zinc/58/22/19/635582219.db2.gz CNHDPCXEVHBXEW-IBGZPJMESA-N 2 0 312.461 2.338 20 30 DEEDRP C=CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981768091 635637038 /nfs/dbraw/zinc/63/70/38/635637038.db2.gz DRZGVDHPHASEJD-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981930313 635735839 /nfs/dbraw/zinc/73/58/39/635735839.db2.gz JZURXGANIGPQBF-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086668 635856639 /nfs/dbraw/zinc/85/66/39/635856639.db2.gz NGSZCLLRTISRCH-UHFFFAOYSA-N 2 0 307.482 2.219 20 30 DEEDRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000925844700 635926547 /nfs/dbraw/zinc/92/65/47/635926547.db2.gz LQYXUTQEHBEDJP-OAHLLOKOSA-N 2 0 318.440 2.423 20 30 DEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001003481998 635978059 /nfs/dbraw/zinc/97/80/59/635978059.db2.gz PQJPDYKGORDPNR-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001003941338 636090082 /nfs/dbraw/zinc/09/00/82/636090082.db2.gz YUDMMYPFYXTIIQ-QGZVFWFLSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774534 636122239 /nfs/dbraw/zinc/12/22/39/636122239.db2.gz BAUBDLWHLMZFES-DOTOQJQBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774859 636135156 /nfs/dbraw/zinc/13/51/56/636135156.db2.gz HVTZOXKRFAQROU-NVXWUHKLSA-N 2 0 307.482 2.264 20 30 DEEDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC000922388924 636142241 /nfs/dbraw/zinc/14/22/41/636142241.db2.gz RWRTYMSWUJRIJD-WCXIOVBPSA-N 2 0 319.474 2.189 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661552 636572682 /nfs/dbraw/zinc/57/26/82/636572682.db2.gz LXVSDVVOZLWUHL-OAHLLOKOSA-N 2 0 312.417 2.352 20 30 DEEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005772835 636836929 /nfs/dbraw/zinc/83/69/29/636836929.db2.gz LVPZSAHNCKZEDM-GOSISDBHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001005981584 637027790 /nfs/dbraw/zinc/02/77/90/637027790.db2.gz VVIONSWSURQHNX-OAHLLOKOSA-N 2 0 316.449 2.329 20 30 DEEDRP 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 637189395 /nfs/dbraw/zinc/18/93/95/637189395.db2.gz UNINZRKHNCOZRQ-TVFCKZIOSA-N 2 0 319.493 2.216 20 30 DEEDRP C[NH+]=C(NCc1ccco1)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000303409097 639421033 /nfs/dbraw/zinc/42/10/33/639421033.db2.gz UVOSYOFUNCQHGO-PBHICJAKSA-N 2 0 306.454 2.455 20 30 DEEDRP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000985459071 639436382 /nfs/dbraw/zinc/43/63/82/639436382.db2.gz GYCIADQKVVKHTP-QGZVFWFLSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000985479731 639455263 /nfs/dbraw/zinc/45/52/63/639455263.db2.gz DOJBWDZHIOJIQY-INIZCTEOSA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000985646067 639558534 /nfs/dbraw/zinc/55/85/34/639558534.db2.gz GWQJDAHEUYVYDY-AWEZNQCLSA-N 2 0 313.873 2.146 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000763970002 640590910 /nfs/dbraw/zinc/59/09/10/640590910.db2.gz GBLDNGHKSNXNAH-KRWDZBQOSA-N 2 0 301.434 2.058 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000764265313 640619719 /nfs/dbraw/zinc/61/97/19/640619719.db2.gz JLTUFJPKZRPKIC-HNNXBMFYSA-N 2 0 309.479 2.365 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989107764 640722386 /nfs/dbraw/zinc/72/23/86/640722386.db2.gz BBDJMZSBNXXVDN-GXTWGEPZSA-N 2 0 318.808 2.279 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989449009 640992031 /nfs/dbraw/zinc/99/20/31/640992031.db2.gz BLHMLDUKNMORQF-CRAIPNDOSA-N 2 0 315.461 2.169 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000989664064 641190974 /nfs/dbraw/zinc/19/09/74/641190974.db2.gz FDYJEOWFUFNZCZ-MAUKXSAKSA-N 2 0 319.493 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829540 641244488 /nfs/dbraw/zinc/24/44/88/641244488.db2.gz SWFLBDMQMIFKBX-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C#CCCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000773302208 641755329 /nfs/dbraw/zinc/75/53/29/641755329.db2.gz KVZIFURDKQIHNQ-KRWDZBQOSA-N 2 0 307.482 2.055 20 30 DEEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990764184 641962189 /nfs/dbraw/zinc/96/21/89/641962189.db2.gz PNIFWPHIXQFNLR-MJQMVNBJSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792884 642095396 /nfs/dbraw/zinc/09/53/96/642095396.db2.gz WHIGLMIQJDRRAO-CBZIJGRNSA-N 2 0 305.466 2.016 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000900285027 642310220 /nfs/dbraw/zinc/31/02/20/642310220.db2.gz FEXOYAKRMUJGAJ-MRXNPFEDSA-N 2 0 307.413 2.053 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000813531684 646783035 /nfs/dbraw/zinc/78/30/35/646783035.db2.gz LWAAGHGJDNCQJB-RDJZCZTQSA-N 2 0 303.450 2.220 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992432243 646998234 /nfs/dbraw/zinc/99/82/34/646998234.db2.gz PYICTJJDCUFTCC-WMZOPIPTSA-N 2 0 316.449 2.042 20 30 DEEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC000992833923 647296199 /nfs/dbraw/zinc/29/61/99/647296199.db2.gz MKKVHFJFMSBOCE-OKZBNKHCSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535333 647692423 /nfs/dbraw/zinc/69/24/23/647692423.db2.gz JDAVXNCCZUPCPD-PBHICJAKSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737358 648935445 /nfs/dbraw/zinc/93/54/45/648935445.db2.gz NXLDKYLNNDOCRG-JKSUJKDBSA-N 2 0 307.482 2.262 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842951 648955583 /nfs/dbraw/zinc/95/55/83/648955583.db2.gz TUSKXVQCAWHMLT-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945257 648975918 /nfs/dbraw/zinc/97/59/18/648975918.db2.gz ZKIJFZMKNYWUGW-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940994485 648980169 /nfs/dbraw/zinc/98/01/69/648980169.db2.gz WCZKEJZURUPMDF-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555228 649246100 /nfs/dbraw/zinc/24/61/00/649246100.db2.gz GRZBPQHMOKXSHU-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943879298 649447619 /nfs/dbraw/zinc/44/76/19/649447619.db2.gz VCLMINQLXCBXEI-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP N#CCCCC[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000848414831 651457230 /nfs/dbraw/zinc/45/72/30/651457230.db2.gz OXVXRZIGNUDCAD-JCYILVPMSA-N 2 0 320.481 2.311 20 30 DEEDRP C=CCOCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850377711 651915649 /nfs/dbraw/zinc/91/56/49/651915649.db2.gz JFVACAOYPJGZEF-UHFFFAOYSA-N 2 0 303.450 2.121 20 30 DEEDRP C=CCOCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584202 651953051 /nfs/dbraw/zinc/95/30/51/651953051.db2.gz DYXBBEBRBMGDTQ-GOSISDBHSA-N 2 0 319.449 2.189 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(F)c1 ZINC000304749430 685259267 /nfs/dbraw/zinc/25/92/67/685259267.db2.gz HSHKESIADJCPEO-INIZCTEOSA-N 2 0 320.456 2.492 20 30 DEEDRP CCO[C@@H](CC[NH+](C)C)C[NH+]=C(NCc1ccccc1)N(C)C ZINC000304826605 685262938 /nfs/dbraw/zinc/26/29/38/685262938.db2.gz HIFFULDJZFUGNV-KRWDZBQOSA-N 2 0 320.481 2.051 20 30 DEEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000305020839 685264507 /nfs/dbraw/zinc/26/45/07/685264507.db2.gz NVXMLTDOFNVJNZ-AWEZNQCLSA-N 2 0 304.438 2.400 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054159801 693866404 /nfs/dbraw/zinc/86/64/04/693866404.db2.gz ODZQCULONLLLPA-SFHVURJKSA-N 2 0 317.477 2.115 20 30 DEEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000303878820 685237903 /nfs/dbraw/zinc/23/79/03/685237903.db2.gz GEBOQVOKIRUVJG-UHFFFAOYSA-N 2 0 322.453 2.169 20 30 DEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1CCC(C#N)CC1 ZINC000930062748 694082086 /nfs/dbraw/zinc/08/20/86/694082086.db2.gz YHTBNGHCPXLAOF-NHHFINERSA-N 2 0 305.466 2.500 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611713 687924660 /nfs/dbraw/zinc/92/46/60/687924660.db2.gz VYAJZCWPYXIWJI-OKZBNKHCSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031672523 688977576 /nfs/dbraw/zinc/97/75/76/688977576.db2.gz IXJXYXUEYVIZFL-KRWDZBQOSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144465 689403496 /nfs/dbraw/zinc/40/34/96/689403496.db2.gz XWDQQTJJYYEHHB-DLBZAZTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033350441 689473335 /nfs/dbraw/zinc/47/33/35/689473335.db2.gz BFLQBULGZYDZGR-IAGOWNOFSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033424524 689495720 /nfs/dbraw/zinc/49/57/20/689495720.db2.gz DDLGNHKAJINGRS-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000876523702 689846230 /nfs/dbraw/zinc/84/62/30/689846230.db2.gz BIWSFXQBBXHSNU-HUUCEWRRSA-N 2 0 309.841 2.396 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001034659455 689920970 /nfs/dbraw/zinc/92/09/70/689920970.db2.gz VAJFLWLZSIPFAN-BRWVUGGUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876875742 689960741 /nfs/dbraw/zinc/96/07/41/689960741.db2.gz YYHWHJIBADKTSB-HZPDHXFCSA-N 2 0 321.852 2.189 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000877147440 690029390 /nfs/dbraw/zinc/02/93/90/690029390.db2.gz FEGSIKRAUMHBCS-CQSZACIVSA-N 2 0 313.873 2.323 20 30 DEEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035258091 690076178 /nfs/dbraw/zinc/07/61/78/690076178.db2.gz FYKOATMXCFLGCC-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035742515 690165516 /nfs/dbraw/zinc/16/55/16/690165516.db2.gz ZIDDGGIHRMVJAN-QGZVFWFLSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035766945 690171124 /nfs/dbraw/zinc/17/11/24/690171124.db2.gz LVLKRURPQHTWSH-UHFFFAOYSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001036220159 690294296 /nfs/dbraw/zinc/29/42/96/690294296.db2.gz VFCFZSYKNAXHSC-MAUKXSAKSA-N 2 0 315.461 2.374 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001036240580 690299234 /nfs/dbraw/zinc/29/92/34/690299234.db2.gz LCRYKZLYNSFUGF-NVXWUHKLSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036853990 690499956 /nfs/dbraw/zinc/49/99/56/690499956.db2.gz CHNBQLIHGPXXMF-ZWKOTPCHSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1CC ZINC001037908432 690637887 /nfs/dbraw/zinc/63/78/87/690637887.db2.gz ZAURMUDAQPTQRK-GOEBONIOSA-N 2 0 319.449 2.358 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037906806 690638115 /nfs/dbraw/zinc/63/81/15/690638115.db2.gz UJRQWBOPUDFQAW-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001037981885 690656249 /nfs/dbraw/zinc/65/62/49/690656249.db2.gz HKEYWNRVNJCKAG-IAGOWNOFSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038355440 690793336 /nfs/dbraw/zinc/79/33/36/690793336.db2.gz ZWQZAAPMXNIRAN-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038863762 690948471 /nfs/dbraw/zinc/94/84/71/690948471.db2.gz NKBFNGROFUNFEJ-KRWDZBQOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159727 691035451 /nfs/dbraw/zinc/03/54/51/691035451.db2.gz XBIKXAUNSILMME-SJORKVTESA-N 2 0 307.482 2.073 20 30 DEEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179715 691040798 /nfs/dbraw/zinc/04/07/98/691040798.db2.gz DHSGQBACNLNOFT-ROUUACIJSA-N 2 0 321.509 2.319 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039377109 691092118 /nfs/dbraw/zinc/09/21/18/691092118.db2.gz FKCGVFFDYXZBQS-ZJPYXAASSA-N 2 0 319.493 2.358 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396977 691241890 /nfs/dbraw/zinc/24/18/90/691241890.db2.gz XLMSIGXEFNGWEQ-PKOBYXMFSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040835652 691291688 /nfs/dbraw/zinc/29/16/88/691291688.db2.gz MQNZPXIVLPMHPA-QGZVFWFLSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040849266 691292895 /nfs/dbraw/zinc/29/28/95/691292895.db2.gz OQLHVMINYLCXLY-IRXDYDNUSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433591 691374831 /nfs/dbraw/zinc/37/48/31/691374831.db2.gz ZVVOXVOJKWZUPW-PKOBYXMFSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233039 691542051 /nfs/dbraw/zinc/54/20/51/691542051.db2.gz BXMUSFJHTDJCRD-IRXDYDNUSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297555 691560523 /nfs/dbraw/zinc/56/05/23/691560523.db2.gz QMBFOCHVOCYZQS-SJLPKXTDSA-N 2 0 319.493 2.216 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045438393 691981468 /nfs/dbraw/zinc/98/14/68/691981468.db2.gz RZLNRNCMENOHBP-IRXDYDNUSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045619787 692006627 /nfs/dbraw/zinc/00/66/27/692006627.db2.gz KXLAHGOURJDLHE-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045984708 692069531 /nfs/dbraw/zinc/06/95/31/692069531.db2.gz HFGSROJXVZMROF-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000886524518 692101243 /nfs/dbraw/zinc/10/12/43/692101243.db2.gz LXIYFMWKTIDLRL-UHFFFAOYSA-N 2 0 304.482 2.361 20 30 DEEDRP C=C(Cl)CN1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046314245 692149423 /nfs/dbraw/zinc/14/94/23/692149423.db2.gz ABWKSMHAUQZLLB-GOEBONIOSA-N 2 0 313.873 2.192 20 30 DEEDRP 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 692640088 /nfs/dbraw/zinc/64/00/88/692640088.db2.gz XKAAEVVQPGOIES-UYTYNIKBSA-N 2 0 319.493 2.262 20 30 DEEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820545 692704020 /nfs/dbraw/zinc/70/40/20/692704020.db2.gz KRFRDYIKGYOGKT-CALCHBBNSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001050546175 693204393 /nfs/dbraw/zinc/20/43/93/693204393.db2.gz WYGSBLUYUXQDBS-QGZVFWFLSA-N 2 0 319.493 2.075 20 30 DEEDRP C=CC[NH+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001050582451 693211251 /nfs/dbraw/zinc/21/12/51/693211251.db2.gz GDIORNXCKNKACK-UHFFFAOYSA-N 2 0 310.401 2.058 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052712523 693600947 /nfs/dbraw/zinc/60/09/47/693600947.db2.gz JPNGEHSCSGJQBQ-ZFWWWQNUSA-N 2 0 313.873 2.051 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763283 693613896 /nfs/dbraw/zinc/61/38/96/693613896.db2.gz GCQAZEOIHYOIKM-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763281 693614156 /nfs/dbraw/zinc/61/41/56/693614156.db2.gz GCQAZEOIHYOIKM-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820419 693625632 /nfs/dbraw/zinc/62/56/32/693625632.db2.gz QDGZTUOSYWXVFT-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052955330 693655888 /nfs/dbraw/zinc/65/58/88/693655888.db2.gz DAERJEDVUCHZEJ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])CC1 ZINC001336005315 1150587890 /nfs/dbraw/zinc/58/78/90/1150587890.db2.gz YRJPYGWZFZWNAN-NVXWUHKLSA-N 2 0 322.497 2.186 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001403032708 1162642881 /nfs/dbraw/zinc/64/28/81/1162642881.db2.gz QSVBGSKIGMDDKI-UONOGXRCSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001373856412 1157412147 /nfs/dbraw/zinc/41/21/47/1157412147.db2.gz CQOLRSCFCJIQPQ-ZDUSSCGKSA-N 2 0 313.873 2.099 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001393078771 1157660338 /nfs/dbraw/zinc/66/03/38/1157660338.db2.gz IEVVMAKVIFMIHZ-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001393951003 1158095020 /nfs/dbraw/zinc/09/50/20/1158095020.db2.gz OHBBLLKUVKQQFQ-NWDGAFQWSA-N 2 0 320.824 2.492 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001394032773 1158182246 /nfs/dbraw/zinc/18/22/46/1158182246.db2.gz HCIGQZCKGAJFPR-CQSZACIVSA-N 2 0 317.905 2.399 20 30 DEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568500997 1158399788 /nfs/dbraw/zinc/39/97/88/1158399788.db2.gz BUITUNJXKRXDBD-SJORKVTESA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001376911702 1159843911 /nfs/dbraw/zinc/84/39/11/1159843911.db2.gz NWGWGVXWQVFVSZ-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001376914977 1159844657 /nfs/dbraw/zinc/84/46/57/1159844657.db2.gz VHTUOHNQSSMBLH-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376967671 1159859373 /nfs/dbraw/zinc/85/93/73/1159859373.db2.gz HYCRMQBRCHCCHB-KGLIPLIRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001397230426 1160067726 /nfs/dbraw/zinc/06/77/26/1160067726.db2.gz DFNRNQLHRKUZHV-OAHLLOKOSA-N 2 0 315.889 2.440 20 30 DEEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001401075293 1161867810 /nfs/dbraw/zinc/86/78/10/1161867810.db2.gz FKYJAHDXRZDCBL-UHFFFAOYSA-N 2 0 315.889 2.299 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001402170968 1162273538 /nfs/dbraw/zinc/27/35/38/1162273538.db2.gz IWMBHQGJOXQYJI-ZBFHGGJFSA-N 2 0 315.889 2.153 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001405370369 1164066238 /nfs/dbraw/zinc/06/62/38/1164066238.db2.gz NIZDKVVPDYQLTH-LSDHHAIUSA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001407103653 1164977083 /nfs/dbraw/zinc/97/70/83/1164977083.db2.gz FTDXBOQEKWDQJU-LSDHHAIUSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001408301566 1165573683 /nfs/dbraw/zinc/57/36/83/1165573683.db2.gz KJQRDGHBZZAUDK-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001422135444 1172331885 /nfs/dbraw/zinc/33/18/85/1172331885.db2.gz MUUNGUQLWFGQQJ-HNNXBMFYSA-N 2 0 315.889 2.345 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001438596071 1180645925 /nfs/dbraw/zinc/64/59/25/1180645925.db2.gz JMNNSURISMUWJM-CQSZACIVSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438730888 1180800314 /nfs/dbraw/zinc/80/03/14/1180800314.db2.gz FQBNSBAHEWQOMS-ZFWWWQNUSA-N 2 0 315.889 2.201 20 30 DEEDRP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001440535793 1181586102 /nfs/dbraw/zinc/58/61/02/1181586102.db2.gz CACIDHVGAWESSP-UHFFFAOYSA-N 2 0 315.889 2.442 20 30 DEEDRP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001441034016 1181831680 /nfs/dbraw/zinc/83/16/80/1181831680.db2.gz KBCUHHBLNZLRJY-KBPBESRZSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441551867 1182055516 /nfs/dbraw/zinc/05/55/16/1182055516.db2.gz VBVPDOYWBRYGKZ-QLFBSQMISA-N 2 0 313.873 2.096 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001445471233 1183881581 /nfs/dbraw/zinc/88/15/81/1183881581.db2.gz URWZANDJMUSDBC-GOSISDBHSA-N 2 0 315.461 2.227 20 30 DEEDRP C=C(Cl)CN1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596274 1149816984 /nfs/dbraw/zinc/81/69/84/1149816984.db2.gz SXOOFMWEAYLCNH-CABCVRRESA-N 2 0 313.873 2.004 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106119675 782288312 /nfs/dbraw/zinc/28/83/12/782288312.db2.gz FHLIFYCRSSMRPN-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106134302 782405376 /nfs/dbraw/zinc/40/53/76/782405376.db2.gz ZMBPWGJBEJYNOX-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168454526 782439988 /nfs/dbraw/zinc/43/99/88/782439988.db2.gz LLIWITAWQASFAQ-UHFFFAOYSA-N 2 0 319.493 2.152 20 30 DEEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001072907813 790298242 /nfs/dbraw/zinc/29/82/42/790298242.db2.gz ZCDLJGVFZFOREZ-KRWDZBQOSA-N 2 0 319.493 2.219 20 30 DEEDRP 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 782568594 /nfs/dbraw/zinc/56/85/94/782568594.db2.gz LUCOJXDXVDUDIK-FGTMMUONSA-N 2 0 321.509 2.225 20 30 DEEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248498 782569918 /nfs/dbraw/zinc/56/99/18/782569918.db2.gz RRBVPVBLSNJMKV-FGTMMUONSA-N 2 0 321.509 2.225 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964032 779575774 /nfs/dbraw/zinc/57/57/74/779575774.db2.gz SNZXCTUSTWVEHA-SQNIBIBYSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665108 782840160 /nfs/dbraw/zinc/84/01/60/782840160.db2.gz IKAUUVKOKMSUCP-BRWVUGGUSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401073 783068683 /nfs/dbraw/zinc/06/86/83/783068683.db2.gz OMYCEZMAIOSDMV-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095765532 783084780 /nfs/dbraw/zinc/08/47/80/783084780.db2.gz IVJQMCIGQUSBJD-PVAVHDDUSA-N 2 0 310.401 2.246 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437319 783135146 /nfs/dbraw/zinc/13/51/46/783135146.db2.gz QNYTWYUVRORXOV-DLBZAZTESA-N 2 0 319.493 2.408 20 30 DEEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493230 783159515 /nfs/dbraw/zinc/15/95/15/783159515.db2.gz UVRFGJOUWAPGNC-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947617375 783190734 /nfs/dbraw/zinc/19/07/34/783190734.db2.gz XXMFUGICZJWSHM-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC[C@@H](C)SC)CC1 ZINC001208151192 776570375 /nfs/dbraw/zinc/57/03/75/776570375.db2.gz TWIGWAMSDSWFRY-QGZVFWFLSA-N 2 0 311.539 2.420 20 30 DEEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(C#N)cc2N)CC1 ZINC001213353500 777183624 /nfs/dbraw/zinc/18/36/24/777183624.db2.gz AJOLKQSRFVPUAR-UHFFFAOYSA-N 2 0 308.389 2.031 20 30 DEEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104666284 778006802 /nfs/dbraw/zinc/00/68/02/778006802.db2.gz PFFPTLVGLULANU-KZNAEPCWSA-N 2 0 321.509 2.204 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742425 778313502 /nfs/dbraw/zinc/31/35/02/778313502.db2.gz JFSOTHJWPURDRB-SJORKVTESA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742762 778317957 /nfs/dbraw/zinc/31/79/57/778317957.db2.gz WIWLDVJNUXJHIU-JKSUJKDBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064213 778319794 /nfs/dbraw/zinc/31/97/94/778319794.db2.gz CTRTVOSIKFFMFJ-IAGOWNOFSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067178 778322848 /nfs/dbraw/zinc/32/28/48/778322848.db2.gz QOEIWLQFRDXELV-KURKYZTESA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100382998 778788498 /nfs/dbraw/zinc/78/84/98/778788498.db2.gz GXCYLFXICWPCEI-JCYILVPMSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088326807 779960458 /nfs/dbraw/zinc/96/04/58/779960458.db2.gz YAYFWMIYGDBHNG-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001105544263 780747340 /nfs/dbraw/zinc/74/73/40/780747340.db2.gz FYGCRGVDSCAWBR-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168335640 780852041 /nfs/dbraw/zinc/85/20/41/780852041.db2.gz NKDQAIZDLZGHDW-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168346220 780862709 /nfs/dbraw/zinc/86/27/09/780862709.db2.gz YDKIYVGHPIZAMI-MRXNPFEDSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106900425 783249005 /nfs/dbraw/zinc/24/90/05/783249005.db2.gz WIZHAYMYIBGUTR-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948242488 783389590 /nfs/dbraw/zinc/38/95/90/783389590.db2.gz XFPXYAXSYGUVBX-GJZGRUSLSA-N 2 0 313.873 2.146 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000948425022 783461560 /nfs/dbraw/zinc/46/15/60/783461560.db2.gz NBUCPLUMSVVUBV-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001085374560 783661734 /nfs/dbraw/zinc/66/17/34/783661734.db2.gz XACDISQETQHXSI-IAGOWNOFSA-N 2 0 307.482 2.311 20 30 DEEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085389483 783666634 /nfs/dbraw/zinc/66/66/34/783666634.db2.gz KOIBZDONDAXSNR-KZNAEPCWSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967092176 783881173 /nfs/dbraw/zinc/88/11/73/783881173.db2.gz WMENSYSLDFZOSA-DYVFJYSZSA-N 2 0 312.417 2.269 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331718 784295421 /nfs/dbraw/zinc/29/54/21/784295421.db2.gz QFTMVMJUNFQPSB-JKSUJKDBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968377567 784337881 /nfs/dbraw/zinc/33/78/81/784337881.db2.gz JMKGIFCVLXLGII-DOTOQJQBSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253448 784524772 /nfs/dbraw/zinc/52/47/72/784524772.db2.gz HKTMOXCGYFHPIQ-NCOADZHNSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914585 784647133 /nfs/dbraw/zinc/64/71/33/784647133.db2.gz XLMDQZABSHAEGN-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014263 784690480 /nfs/dbraw/zinc/69/04/80/784690480.db2.gz VWAKECJQGGGELS-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969037987 784700051 /nfs/dbraw/zinc/70/00/51/784700051.db2.gz QVOGHBVHDTXNBF-BZUAXINKSA-N 2 0 316.449 2.070 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007495106 784935224 /nfs/dbraw/zinc/93/52/24/784935224.db2.gz IMHMQWQPSBUWTL-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008052744 785092653 /nfs/dbraw/zinc/09/26/53/785092653.db2.gz OPCKOOMASSXALS-IAGOWNOFSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008064468 785095692 /nfs/dbraw/zinc/09/56/92/785095692.db2.gz VQTIFEHAUCKIBP-ROUUACIJSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008767706 785298284 /nfs/dbraw/zinc/29/82/84/785298284.db2.gz KIKMSRRQUIXJCP-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+](C)C)C2 ZINC001108801074 785544088 /nfs/dbraw/zinc/54/40/88/785544088.db2.gz RZIXOUPWMXMIQL-BBWFWOEESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109721756 785998679 /nfs/dbraw/zinc/99/86/79/785998679.db2.gz WNFXBHWJUGIWLO-IKGGRYGDSA-N 2 0 319.493 2.406 20 30 DEEDRP 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 786087125 /nfs/dbraw/zinc/08/71/25/786087125.db2.gz WRLWGTIHJMRABG-LTIDMASMSA-N 2 0 307.482 2.260 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578243 786163515 /nfs/dbraw/zinc/16/35/15/786163515.db2.gz FVEFQGHQHCEFPP-AOIWGVFYSA-N 2 0 319.493 2.123 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086558572 786231222 /nfs/dbraw/zinc/23/12/22/786231222.db2.gz BXKCPUYGVGSTGI-RBSFLKMASA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001112920801 786297268 /nfs/dbraw/zinc/29/72/68/786297268.db2.gz LBFLSZFPDINHFZ-DLBZAZTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113352875 786546907 /nfs/dbraw/zinc/54/69/07/786546907.db2.gz AYPCPGHROJLEFW-INIZCTEOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001049866760 787741727 /nfs/dbraw/zinc/74/17/27/787741727.db2.gz JHLDTWKCHJCMKS-LMMKCTJWSA-N 2 0 317.477 2.114 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107152 787934562 /nfs/dbraw/zinc/93/45/62/787934562.db2.gz XZNPWFDJCBRJDF-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141214 787946604 /nfs/dbraw/zinc/94/66/04/787946604.db2.gz PRDBQICFLSYNDC-CVEARBPZSA-N 2 0 316.449 2.063 20 30 DEEDRP 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 787979652 /nfs/dbraw/zinc/97/96/52/787979652.db2.gz XFUPRCGNWXWRAC-HHARLNAUSA-N 2 0 305.466 2.014 20 30 DEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266337 787997677 /nfs/dbraw/zinc/99/76/77/787997677.db2.gz WXMXTCTUXNIYQJ-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409979 788063527 /nfs/dbraw/zinc/06/35/27/788063527.db2.gz IAYWAFLXARGOLR-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C#CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549728 788126862 /nfs/dbraw/zinc/12/68/62/788126862.db2.gz YSFPTPHHQQAVJR-QZTJIDSGSA-N 2 0 319.493 2.245 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953228 788240860 /nfs/dbraw/zinc/24/08/60/788240860.db2.gz CWEUUFLYEYCPJR-WBVHZDCISA-N 2 0 324.428 2.045 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133222340 788321701 /nfs/dbraw/zinc/32/17/01/788321701.db2.gz ODSFYGHLTSAZQI-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133253961 788342176 /nfs/dbraw/zinc/34/21/76/788342176.db2.gz NMJSHGQCBOGEGV-IRXDYDNUSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001134994470 789157342 /nfs/dbraw/zinc/15/73/42/789157342.db2.gz RGHHNFOXALLVLK-KBPBESRZSA-N 2 0 300.406 2.397 20 30 DEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135299560 789278515 /nfs/dbraw/zinc/27/85/15/789278515.db2.gz YASYAEKVDHJKPF-KGLIPLIRSA-N 2 0 307.438 2.404 20 30 DEEDRP C=CCC[NH2+]CCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001170830538 789424190 /nfs/dbraw/zinc/42/41/90/789424190.db2.gz YJGIUURVOYABNM-GOSISDBHSA-N 2 0 303.450 2.135 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086787807 789504330 /nfs/dbraw/zinc/50/43/30/789504330.db2.gz KCTZVKIVSLLZJL-GOEBONIOSA-N 2 0 319.449 2.405 20 30 DEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902191 789553283 /nfs/dbraw/zinc/55/32/83/789553283.db2.gz OUGVOAGHJCVKAF-LSDHHAIUSA-N 2 0 307.482 2.167 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001135935974 789566439 /nfs/dbraw/zinc/56/64/39/789566439.db2.gz YRUMUIMDRSXGDX-STQMWFEESA-N 2 0 324.856 2.387 20 30 DEEDRP C=CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071607426 789809926 /nfs/dbraw/zinc/80/99/26/789809926.db2.gz PIYBROLOGUPWHP-JKSUJKDBSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071650890 789842331 /nfs/dbraw/zinc/84/23/31/789842331.db2.gz DWJIUIMCUARLJF-HOCLYGCPSA-N 2 0 312.417 2.493 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC001091715624 791740829 /nfs/dbraw/zinc/74/08/29/791740829.db2.gz CZAHPADFGQKURJ-AOIWGVFYSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924030 791853073 /nfs/dbraw/zinc/85/30/73/791853073.db2.gz IFKUKYQEZSGXKQ-GVDBMIGSSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942420 791856696 /nfs/dbraw/zinc/85/66/96/791856696.db2.gz QOBMXEGCTFJFSP-IRXDYDNUSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001086941364 791857092 /nfs/dbraw/zinc/85/70/92/791857092.db2.gz ROCVGOSOISKTLG-MRXNPFEDSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093094037 792239232 /nfs/dbraw/zinc/23/92/32/792239232.db2.gz XVZATUHEVKXEFE-SJLPKXTDSA-N 2 0 321.509 2.367 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100410640 792635281 /nfs/dbraw/zinc/63/52/81/792635281.db2.gz GKIDYPCKFKXRLR-QQFBHYJXSA-N 2 0 307.482 2.310 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094379933 792899250 /nfs/dbraw/zinc/89/92/50/792899250.db2.gz HCJKQYSKPUZQKP-YQVWRLOYSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171668098 793165684 /nfs/dbraw/zinc/16/56/84/793165684.db2.gz AIWMHLXYHYPFJM-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171685373 793187234 /nfs/dbraw/zinc/18/72/34/793187234.db2.gz YOLGIKRPIZOEDJ-OAHLLOKOSA-N 2 0 312.417 2.236 20 30 DEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001171690436 793190767 /nfs/dbraw/zinc/19/07/67/793190767.db2.gz CWUKLZIYZRKHPU-HNNXBMFYSA-N 2 0 312.417 2.236 20 30 DEEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101568074 793236169 /nfs/dbraw/zinc/23/61/69/793236169.db2.gz MISKYKURCJTKCV-UHFFFAOYSA-N 2 0 321.509 2.206 20 30 DEEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172299085 793406573 /nfs/dbraw/zinc/40/65/73/793406573.db2.gz IYMREZUINDZUHJ-ZTFGCOKTSA-N 2 0 313.445 2.460 20 30 DEEDRP C=CCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102101112 793504525 /nfs/dbraw/zinc/50/45/25/793504525.db2.gz NGUOGHIQBLMAKV-HZPDHXFCSA-N 2 0 309.498 2.367 20 30 DEEDRP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318726 793571240 /nfs/dbraw/zinc/57/12/40/793571240.db2.gz HDHRVPHVIDRLQA-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472088 793626495 /nfs/dbraw/zinc/62/64/95/793626495.db2.gz HMYWLFJRONSLNG-IAGOWNOFSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103147907 793958535 /nfs/dbraw/zinc/95/85/35/793958535.db2.gz GCZCMDSKHFWYKA-ZACQAIPSSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308998 794033688 /nfs/dbraw/zinc/03/36/88/794033688.db2.gz MCZBRSXPSJYINM-HZPDHXFCSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001103359204 794056489 /nfs/dbraw/zinc/05/64/89/794056489.db2.gz OSRYPBIYCRGUCY-KURKYZTESA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407658 794078132 /nfs/dbraw/zinc/07/81/32/794078132.db2.gz NVWXETJRFUAGKL-BRWVUGGUSA-N 2 0 309.498 2.223 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570942 794148261 /nfs/dbraw/zinc/14/82/61/794148261.db2.gz MOXVGQNLNULFJF-QZTJIDSGSA-N 2 0 321.509 2.369 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001175566056 794244143 /nfs/dbraw/zinc/24/41/43/794244143.db2.gz PHVZGZRLINBIHE-IRXDYDNUSA-N 2 0 307.482 2.149 20 30 DEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001175566054 794244207 /nfs/dbraw/zinc/24/42/07/794244207.db2.gz PHVZGZRLINBIHE-DLBZAZTESA-N 2 0 307.482 2.149 20 30 DEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176200623 794387121 /nfs/dbraw/zinc/38/71/21/794387121.db2.gz PQGASPBSNCMCRD-CQSZACIVSA-N 2 0 304.438 2.212 20 30 DEEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176573994 794460318 /nfs/dbraw/zinc/46/03/18/794460318.db2.gz PSOCDWHVUKYXNF-AWEZNQCLSA-N 2 0 301.862 2.099 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115250149 794713601 /nfs/dbraw/zinc/71/36/01/794713601.db2.gz SKFKYDROZZAEDR-DZFIZOCASA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729330 794897876 /nfs/dbraw/zinc/89/78/76/794897876.db2.gz AQALZBRZWPLFGV-MRXNPFEDSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729684 794898079 /nfs/dbraw/zinc/89/80/79/794898079.db2.gz PFCBPWNSDHHITN-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C#CCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001115760057 794910826 /nfs/dbraw/zinc/91/08/26/794910826.db2.gz JSHOBPUXWIXKKL-UHFFFAOYSA-N 2 0 319.493 2.150 20 30 DEEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259363 795071829 /nfs/dbraw/zinc/07/18/29/795071829.db2.gz WMCVBRYXRUPHIA-HZPDHXFCSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203259366 795071884 /nfs/dbraw/zinc/07/18/84/795071884.db2.gz WMCVBRYXRUPHIA-JKSUJKDBSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592579 795140186 /nfs/dbraw/zinc/14/01/86/795140186.db2.gz IEOYHJDIUYOBOX-UHFFFAOYSA-N 2 0 307.482 2.008 20 30 DEEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001180065353 795234689 /nfs/dbraw/zinc/23/46/89/795234689.db2.gz OMEOIURUTQAELN-MSOLQXFVSA-N 2 0 321.509 2.396 20 30 DEEDRP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120440481 795461152 /nfs/dbraw/zinc/46/11/52/795461152.db2.gz NQPNALDTCRJFKS-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001181754477 795532941 /nfs/dbraw/zinc/53/29/41/795532941.db2.gz AXUASBPJPHUNPK-SZVBFZGTSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001121237737 795606752 /nfs/dbraw/zinc/60/67/52/795606752.db2.gz CDQTXKFSCQXCNJ-UHFFFAOYSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121791312 795687197 /nfs/dbraw/zinc/68/71/97/795687197.db2.gz LFXNMIFOLOOYFT-UHFFFAOYSA-N 2 0 319.493 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122021720 795718102 /nfs/dbraw/zinc/71/81/02/795718102.db2.gz DVAYEDQDRHQHJR-UHFFFAOYSA-N 2 0 313.873 2.098 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001182932731 795786023 /nfs/dbraw/zinc/78/60/23/795786023.db2.gz FSJLNUDJXRZHIF-SJLPKXTDSA-N 2 0 309.498 2.369 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC001183399037 795865106 /nfs/dbraw/zinc/86/51/06/795865106.db2.gz MBOAUZKPJWUQPA-MLGOLLRUSA-N 2 0 324.856 2.018 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185261705 796224269 /nfs/dbraw/zinc/22/42/69/796224269.db2.gz XKTHPHOHGBAEAS-FUHWJXTLSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185412249 796260069 /nfs/dbraw/zinc/26/00/69/796260069.db2.gz QSUDGAUNDCQMDU-FUHWJXTLSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001185500958 796272619 /nfs/dbraw/zinc/27/26/19/796272619.db2.gz AAOBJSFFPWFUMQ-HZPDHXFCSA-N 2 0 318.465 2.003 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185535431 796286815 /nfs/dbraw/zinc/28/68/15/796286815.db2.gz DRTQTNIOZHVDFZ-UKRRQHHQSA-N 2 0 315.889 2.155 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185740410 796310637 /nfs/dbraw/zinc/31/06/37/796310637.db2.gz BXAXZPNJNIAZOA-IAGOWNOFSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186980679 796469552 /nfs/dbraw/zinc/46/95/52/796469552.db2.gz CBRWOMZWFHJWAV-GOSISDBHSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C12CCC2 ZINC001203028637 796515096 /nfs/dbraw/zinc/51/50/96/796515096.db2.gz OKNRGQRTYMZOST-JKSUJKDBSA-N 2 0 319.493 2.454 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001188085571 796625146 /nfs/dbraw/zinc/62/51/46/796625146.db2.gz PFRWYYLHYLPPAT-QGZVFWFLSA-N 2 0 301.434 2.128 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219739 796693416 /nfs/dbraw/zinc/69/34/16/796693416.db2.gz NMGWJSWKVNDHSE-UHFFFAOYSA-N 2 0 319.493 2.433 20 30 DEEDRP C=CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462446 796871325 /nfs/dbraw/zinc/87/13/25/796871325.db2.gz YSHSKFZDYBOBNJ-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190083919 796934858 /nfs/dbraw/zinc/93/48/58/796934858.db2.gz HKFHCDOVZWZCEE-SJORKVTESA-N 2 0 307.482 2.358 20 30 DEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443946 796998468 /nfs/dbraw/zinc/99/84/68/796998468.db2.gz LXVYOJFMXAWWDC-HOTGVXAUSA-N 2 0 313.461 2.165 20 30 DEEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191062009 797130589 /nfs/dbraw/zinc/13/05/89/797130589.db2.gz PXCMHOSRPRFUFZ-QGZVFWFLSA-N 2 0 319.493 2.195 20 30 DEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507268 797222537 /nfs/dbraw/zinc/22/25/37/797222537.db2.gz JTWSIELCYMLMKP-ZWKOTPCHSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192387918 797378526 /nfs/dbraw/zinc/37/85/26/797378526.db2.gz ZPAODANTNJMXEP-CQSZACIVSA-N 2 0 315.889 2.250 20 30 DEEDRP C=C(Cl)CN(CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154158881 797475633 /nfs/dbraw/zinc/47/56/33/797475633.db2.gz KPVIZYQMABVNBP-CQSZACIVSA-N 2 0 313.873 2.194 20 30 DEEDRP C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155020897 797662073 /nfs/dbraw/zinc/66/20/73/797662073.db2.gz QGQHEWCCCJMVHS-KBPBESRZSA-N 2 0 313.449 2.037 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701371 798262086 /nfs/dbraw/zinc/26/20/86/798262086.db2.gz CAYNPDMFSWGWIM-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157795481 798280498 /nfs/dbraw/zinc/28/04/98/798280498.db2.gz LVWLVROZBMHHIY-IRXDYDNUSA-N 2 0 313.449 2.274 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751588 798463177 /nfs/dbraw/zinc/46/31/77/798463177.db2.gz ZFKPADKDGKFIKM-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001200643592 798666677 /nfs/dbraw/zinc/66/66/77/798666677.db2.gz DRGQSZODRTYCSG-DLBZAZTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360636 798679231 /nfs/dbraw/zinc/67/92/31/798679231.db2.gz TZJYQDSFRKWUJV-GOSISDBHSA-N 2 0 319.493 2.431 20 30 DEEDRP C=CCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201392968 798751199 /nfs/dbraw/zinc/75/11/99/798751199.db2.gz HQKYHJSTFFIARX-UHFFFAOYSA-N 2 0 312.417 2.413 20 30 DEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793608 798798359 /nfs/dbraw/zinc/79/83/59/798798359.db2.gz GDGCSXJZCBISDG-GOSISDBHSA-N 2 0 319.493 2.408 20 30 DEEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390846 798845531 /nfs/dbraw/zinc/84/55/31/798845531.db2.gz LVOZSHCULBLCQP-SFHVURJKSA-N 2 0 317.477 2.021 20 30 DEEDRP C=CCCC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161564270 798886669 /nfs/dbraw/zinc/88/66/69/798886669.db2.gz WMFYKLFCCQHMHR-UHFFFAOYSA-N 2 0 300.406 2.318 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161863999 798951727 /nfs/dbraw/zinc/95/17/27/798951727.db2.gz UJPOWTIAOGDRGU-CQSZACIVSA-N 2 0 300.406 2.399 20 30 DEEDRP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925265 798969544 /nfs/dbraw/zinc/96/95/44/798969544.db2.gz ZBZLLIDLCJLPQG-HZPDHXFCSA-N 2 0 305.466 2.184 20 30 DEEDRP N#Cc1c(N[C@H](C[NH3+])c2ccccc2)ncc2c1CCC[NH2+]C2 ZINC001163291979 799302132 /nfs/dbraw/zinc/30/21/32/799302132.db2.gz MFTHLKRMBRVJBO-QGZVFWFLSA-N 2 0 307.401 2.101 20 30 DEEDRP N#CCc1cc(NCc2cccnc2C2CC[NH2+]CC2)cc[nH+]1 ZINC001163915168 799455815 /nfs/dbraw/zinc/45/58/15/799455815.db2.gz SJWKTPWLZAHRLX-UHFFFAOYSA-N 2 0 307.401 2.044 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472999 799735405 /nfs/dbraw/zinc/73/54/05/799735405.db2.gz VUYLPKLFEJMDJJ-QGZVFWFLSA-N 2 0 319.493 2.149 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203613823 800090285 /nfs/dbraw/zinc/09/02/85/800090285.db2.gz FREYWBVACOXZOC-JKSUJKDBSA-N 2 0 317.477 2.065 20 30 DEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203633571 800095164 /nfs/dbraw/zinc/09/51/64/800095164.db2.gz ZFHZBQIWRJILKA-HOTGVXAUSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823885 800128097 /nfs/dbraw/zinc/12/80/97/800128097.db2.gz MXTASMMTWDEDBO-SJORKVTESA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205339728 800344305 /nfs/dbraw/zinc/34/43/05/800344305.db2.gz KVSAEDFUPXEUJK-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205461552 800359596 /nfs/dbraw/zinc/35/95/96/800359596.db2.gz NDMJEBLIWHRUCG-QGZVFWFLSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483505 800362498 /nfs/dbraw/zinc/36/24/98/800362498.db2.gz GUPNCCPZANBWJG-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001205490747 800363556 /nfs/dbraw/zinc/36/35/56/800363556.db2.gz WSDLPSZTJWGHLM-KRWDZBQOSA-N 2 0 309.498 2.367 20 30 DEEDRP CSc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1C#N ZINC001205627573 800389974 /nfs/dbraw/zinc/38/99/74/800389974.db2.gz QXQVFGPOIXQZAY-CHWSQXEVSA-N 2 0 304.463 2.482 20 30 DEEDRP C#C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC001206728675 800581226 /nfs/dbraw/zinc/58/12/26/800581226.db2.gz UHXQRDNBJLHTSX-XBMUEBEBSA-N 2 0 320.477 2.038 20 30 DEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450531 800723346 /nfs/dbraw/zinc/72/33/46/800723346.db2.gz FBWHTFQVJBWOIW-MRXNPFEDSA-N 2 0 307.482 2.456 20 30 DEEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC1CC[NH2+]CC1)CCO2 ZINC001207436971 800752459 /nfs/dbraw/zinc/75/24/59/800752459.db2.gz MTUWIZODNUJYSD-QZTJIDSGSA-N 2 0 308.466 2.060 20 30 DEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014482 800893727 /nfs/dbraw/zinc/89/37/27/800893727.db2.gz QRXJUPNUTBHXHK-DLBZAZTESA-N 2 0 307.482 2.406 20 30 DEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001229185604 801239305 /nfs/dbraw/zinc/23/93/05/801239305.db2.gz OYOBQFMSNUPJPK-HZPDHXFCSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229691884 801306753 /nfs/dbraw/zinc/30/67/53/801306753.db2.gz BHRXUVKQWYBOAO-BRWVUGGUSA-N 2 0 307.482 2.311 20 30 DEEDRP COc1ccc(C#N)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210269615 801364459 /nfs/dbraw/zinc/36/44/59/801364459.db2.gz YQMMFSIZAZZJGX-UHFFFAOYSA-N 2 0 309.373 2.115 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210585629 801426804 /nfs/dbraw/zinc/42/68/04/801426804.db2.gz RNQUMCYGWSAQAD-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619329 801438733 /nfs/dbraw/zinc/43/87/33/801438733.db2.gz XQPLOJQRUHNOBL-GOSISDBHSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211375839 801557073 /nfs/dbraw/zinc/55/70/73/801557073.db2.gz AWKSDPXNHVOWKK-ZACQAIPSSA-N 2 0 307.482 2.119 20 30 DEEDRP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001233081920 802023140 /nfs/dbraw/zinc/02/31/40/802023140.db2.gz UYCUVANRUWSFBF-RBUKOAKNSA-N 2 0 312.461 2.077 20 30 DEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218457561 802185324 /nfs/dbraw/zinc/18/53/24/802185324.db2.gz SXDRDTMFIYOCQM-QZTJIDSGSA-N 2 0 301.434 2.172 20 30 DEEDRP C[C@@H](C#N)c1ccc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC001218871001 802252184 /nfs/dbraw/zinc/25/21/84/802252184.db2.gz FPVWDURARMQAFO-XJKSGUPXSA-N 2 0 312.417 2.126 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223471959 802792821 /nfs/dbraw/zinc/79/28/21/802792821.db2.gz HWXJYWMKCPLVFK-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C[NH+](C)CCCCO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224991749 802925163 /nfs/dbraw/zinc/92/51/63/802925163.db2.gz ZYAGGTFWCAXOKD-SFHVURJKSA-N 2 0 301.434 2.491 20 30 DEEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225577264 802985423 /nfs/dbraw/zinc/98/54/23/802985423.db2.gz CEELRBFOMPDGCU-KRWDZBQOSA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001226765826 803155691 /nfs/dbraw/zinc/15/56/91/803155691.db2.gz FUXYODGAJWOCOI-RCCFBDPRSA-N 2 0 319.493 2.290 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226773517 803156229 /nfs/dbraw/zinc/15/62/29/803156229.db2.gz FLUZOGVSUYJVPD-KFWWJZLASA-N 2 0 313.873 2.096 20 30 DEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228238616 803333507 /nfs/dbraw/zinc/33/35/07/803333507.db2.gz HNFZPTLXNIVURQ-HZPDHXFCSA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001228457510 803362729 /nfs/dbraw/zinc/36/27/29/803362729.db2.gz RVXZQDWKNUNKOB-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001228932202 803432644 /nfs/dbraw/zinc/43/26/44/803432644.db2.gz JYTGPPRPESTJEO-KZNAEPCWSA-N 2 0 319.493 2.291 20 30 DEEDRP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001328035144 1148704976 /nfs/dbraw/zinc/70/49/76/1148704976.db2.gz MHWMZFDTXRNVFQ-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001328039305 1148705232 /nfs/dbraw/zinc/70/52/32/1148705232.db2.gz QKIQKSFIXFSVTN-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001331038447 1149366238 /nfs/dbraw/zinc/36/62/38/1149366238.db2.gz GGKBGBSNPRZFCJ-UHFFFAOYSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001328868308 1148843310 /nfs/dbraw/zinc/84/33/10/1148843310.db2.gz CFHCPUIVFHHTBX-DQPZFDDXSA-N 2 0 305.466 2.064 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001499905076 1058364730 /nfs/dbraw/zinc/36/47/30/1058364730.db2.gz VKDXRVDNVNUACO-KRWDZBQOSA-N 2 0 319.493 2.409 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001501143061 1059325052 /nfs/dbraw/zinc/32/50/52/1059325052.db2.gz IPAAOSZSXVLKDV-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001501229628 1059392072 /nfs/dbraw/zinc/39/20/72/1059392072.db2.gz BTRXDQSZCLQZTK-BBWFWOEESA-N 2 0 307.482 2.073 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001466145946 1059428191 /nfs/dbraw/zinc/42/81/91/1059428191.db2.gz JQWAEMPZJAIUSP-UHFFFAOYSA-N 2 0 316.449 2.196 20 30 DEEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[NH+]2C1 ZINC001467728792 1059694771 /nfs/dbraw/zinc/69/47/71/1059694771.db2.gz QEWRLTSBGUYADK-ZACQAIPSSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001503312263 1060444098 /nfs/dbraw/zinc/44/40/98/1060444098.db2.gz KYLSYOXBCBSVJE-ZDUSSCGKSA-N 2 0 300.406 2.317 20 30 DEEDRP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001505506047 1060665162 /nfs/dbraw/zinc/66/51/62/1060665162.db2.gz HNHJUQDOYARYPE-GTPINHCMSA-N 2 0 319.493 2.454 20 30 DEEDRP C#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506745388 1062354982 /nfs/dbraw/zinc/35/49/82/1062354982.db2.gz VEIYCAQFGIJBFL-KRWDZBQOSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506753044 1062364338 /nfs/dbraw/zinc/36/43/38/1062364338.db2.gz MCLCOSDKBKMYAK-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001480190232 1062442059 /nfs/dbraw/zinc/44/20/59/1062442059.db2.gz YNDVNPFPVJPCEM-IRXDYDNUSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480257849 1062543441 /nfs/dbraw/zinc/54/34/41/1062543441.db2.gz OCAAQKOLYPHYEX-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480385886 1062772912 /nfs/dbraw/zinc/77/29/12/1062772912.db2.gz FSPJMRHLBOXTFB-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001507084536 1062803051 /nfs/dbraw/zinc/80/30/51/1062803051.db2.gz HFQWLJADPOVRPI-KGLIPLIRSA-N 2 0 301.862 2.050 20 30 DEEDRP C#CCC[NH2+]C1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001480412925 1062824665 /nfs/dbraw/zinc/82/46/65/1062824665.db2.gz PXVJCHAATWLQKH-UHFFFAOYSA-N 2 0 319.493 2.293 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001507298844 1063053741 /nfs/dbraw/zinc/05/37/41/1063053741.db2.gz RJRTXJVCBZUCLI-DLBZAZTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507315590 1063083868 /nfs/dbraw/zinc/08/38/68/1063083868.db2.gz AXTFVKSDGNXQGX-SJORKVTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001507349595 1063139617 /nfs/dbraw/zinc/13/96/17/1063139617.db2.gz WAGRKLBZFUVKFR-CRAIPNDOSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480697278 1063203240 /nfs/dbraw/zinc/20/32/40/1063203240.db2.gz LRBPOAPMAQGXRS-JKSUJKDBSA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001507408509 1063243542 /nfs/dbraw/zinc/24/35/42/1063243542.db2.gz GQVGSKVOWOZAGX-JKSUJKDBSA-N 2 0 307.482 2.311 20 30 DEEDRP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001480823480 1063401965 /nfs/dbraw/zinc/40/19/65/1063401965.db2.gz JRKZTKQLDNGJGX-ROUUACIJSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001507938292 1063474317 /nfs/dbraw/zinc/47/43/17/1063474317.db2.gz IIBBOYHZKPLWCZ-MRXNPFEDSA-N 2 0 321.509 2.395 20 30 DEEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001508081625 1063541256 /nfs/dbraw/zinc/54/12/56/1063541256.db2.gz PHZBXSMVOPFUQI-HOTGVXAUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001493260819 1063677337 /nfs/dbraw/zinc/67/73/37/1063677337.db2.gz UQGGPRFSTSQTQF-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567729504 1064380065 /nfs/dbraw/zinc/38/00/65/1064380065.db2.gz IGGDNRUTPCGXOG-JKSUJKDBSA-N 2 0 313.461 2.023 20 30 DEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567742789 1064395422 /nfs/dbraw/zinc/39/54/22/1064395422.db2.gz USSMKGRNQDTMOV-QZTJIDSGSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[C@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567742939 1064395715 /nfs/dbraw/zinc/39/57/15/1064395715.db2.gz VODWPWJTGKKJNJ-IRXDYDNUSA-N 2 0 309.498 2.462 20 30 DEEDRP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001568019739 1064598476 /nfs/dbraw/zinc/59/84/76/1064598476.db2.gz HYVMEKZZNFSBDW-JZXOWHBKSA-N 2 0 307.482 2.167 20 30 DEEDRP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001568126319 1064660391 /nfs/dbraw/zinc/66/03/91/1064660391.db2.gz ZCUFLQXFVFJRDW-GOSISDBHSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001568435417 1064869996 /nfs/dbraw/zinc/86/99/96/1064869996.db2.gz YIVYKGUALWRTSC-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001495473205 1064930640 /nfs/dbraw/zinc/93/06/40/1064930640.db2.gz CSCGWLSWSROSTB-IYARVYRRSA-N 2 0 319.493 2.147 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496102919 1065276410 /nfs/dbraw/zinc/27/64/10/1065276410.db2.gz JJFVUKVQCKOJSY-CVEARBPZSA-N 2 0 307.482 2.406 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001569169405 1065336439 /nfs/dbraw/zinc/33/64/39/1065336439.db2.gz MTPXMNJZDZEVNO-QZTJIDSGSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001569174854 1065340706 /nfs/dbraw/zinc/34/07/06/1065340706.db2.gz NGEICBPJYODOGA-IRXDYDNUSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001496296709 1065391740 /nfs/dbraw/zinc/39/17/40/1065391740.db2.gz OYLNLZAGKBJSOR-KRWDZBQOSA-N 2 0 309.498 2.413 20 30 DEEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001496326751 1065409515 /nfs/dbraw/zinc/40/95/15/1065409515.db2.gz OTUQPSKNXIZKIY-SJLPKXTDSA-N 2 0 319.493 2.006 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cnc1C ZINC001569563314 1065596156 /nfs/dbraw/zinc/59/61/56/1065596156.db2.gz PAGJBJBZPMLPHU-HIFRSBDPSA-N 2 0 304.438 2.196 20 30 DEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001570048417 1065901799 /nfs/dbraw/zinc/90/17/99/1065901799.db2.gz ITBVZQRZYUAOTF-DSPLQEQRSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001570374197 1066037766 /nfs/dbraw/zinc/03/77/66/1066037766.db2.gz LAMMMHIPJULKPA-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001570504478 1066097915 /nfs/dbraw/zinc/09/79/15/1066097915.db2.gz KDIBLMYMADAZBV-GOSISDBHSA-N 2 0 321.509 2.465 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001628586154 1078299785 /nfs/dbraw/zinc/29/97/85/1078299785.db2.gz VOYOKLFJINWJOF-GOEBONIOSA-N 2 0 321.490 2.365 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001499261856 1067161057 /nfs/dbraw/zinc/16/10/57/1067161057.db2.gz QQFWRMQLGIOCPY-MRXNPFEDSA-N 2 0 319.493 2.456 20 30 DEEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001483615254 1078627656 /nfs/dbraw/zinc/62/76/56/1078627656.db2.gz LLJQKDWWNXIREW-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001483615252 1078627674 /nfs/dbraw/zinc/62/76/74/1078627674.db2.gz LLJQKDWWNXIREW-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001422051439 1078636121 /nfs/dbraw/zinc/63/61/21/1078636121.db2.gz GOISAFNQLLVSAZ-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001267182332 1078645282 /nfs/dbraw/zinc/64/52/82/1078645282.db2.gz ZKRCLEIFSUEMGD-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001570710070 1068085289 /nfs/dbraw/zinc/08/52/89/1068085289.db2.gz ASXDWQVIIAAVQX-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001571280472 1068209632 /nfs/dbraw/zinc/20/96/32/1068209632.db2.gz JWXSBTPLOOGUPU-CQSZACIVSA-N 2 0 313.873 2.242 20 30 DEEDRP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001571413537 1068282641 /nfs/dbraw/zinc/28/26/41/1068282641.db2.gz VUPCNBFVNKGFEX-HNNXBMFYSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001571565295 1068424026 /nfs/dbraw/zinc/42/40/26/1068424026.db2.gz WBWLMFQAZKSMNE-IAGOWNOFSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCC[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001571689250 1068481748 /nfs/dbraw/zinc/48/17/48/1068481748.db2.gz PSHMTMAWTMKBKC-KRWDZBQOSA-N 2 0 305.466 2.185 20 30 DEEDRP C=CC1(CC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C[NH2+]C1 ZINC001574880040 1069283789 /nfs/dbraw/zinc/28/37/89/1069283789.db2.gz NTSBCUJGVFGYHM-HNNXBMFYSA-N 2 0 317.433 2.007 20 30 DEEDRP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267486818 1078912880 /nfs/dbraw/zinc/91/28/80/1078912880.db2.gz MACHOYZZPTULDN-ZMSDIMECSA-N 2 0 307.482 2.119 20 30 DEEDRP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267486817 1078912977 /nfs/dbraw/zinc/91/29/77/1078912977.db2.gz MACHOYZZPTULDN-BFYDXBDKSA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001267524896 1078954320 /nfs/dbraw/zinc/95/43/20/1078954320.db2.gz GXLIVAAIZGTNIE-GOSISDBHSA-N 2 0 315.461 2.496 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267547584 1078978581 /nfs/dbraw/zinc/97/85/81/1078978581.db2.gz PMSNWBJJSOORSI-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483847624 1079148642 /nfs/dbraw/zinc/14/86/42/1079148642.db2.gz ITOUIIMFEWSIHJ-IBGZPJMESA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001483932848 1079194179 /nfs/dbraw/zinc/19/41/79/1079194179.db2.gz RTPIUCAVFFIJEF-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001483933274 1079194719 /nfs/dbraw/zinc/19/47/19/1079194719.db2.gz YOUMMEXCHPUHKR-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267670023 1079358941 /nfs/dbraw/zinc/35/89/41/1079358941.db2.gz KBBBLMRIORUXER-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001565852483 1075197087 /nfs/dbraw/zinc/19/70/87/1075197087.db2.gz MFJWENRLRCOYCC-ZACQAIPSSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001565973822 1075211939 /nfs/dbraw/zinc/21/19/39/1075211939.db2.gz JOSPAJSHDOEEGV-WBVHZDCISA-N 2 0 307.482 2.121 20 30 DEEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001566553505 1075279113 /nfs/dbraw/zinc/27/91/13/1075279113.db2.gz WHUIDGVVERWCIA-GOSISDBHSA-N 2 0 319.493 2.245 20 30 DEEDRP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267695477 1079383480 /nfs/dbraw/zinc/38/34/80/1079383480.db2.gz XQJKGNVUMSPAJC-INIZCTEOSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001566857219 1075363534 /nfs/dbraw/zinc/36/35/34/1075363534.db2.gz LTPSZMNBKNOXAW-CALCHBBNSA-N 2 0 307.482 2.310 20 30 DEEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001567139596 1075441917 /nfs/dbraw/zinc/44/19/17/1075441917.db2.gz AOZIWYJUYJOFSQ-QGZVFWFLSA-N 2 0 315.461 2.028 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567167896 1075451170 /nfs/dbraw/zinc/45/11/70/1075451170.db2.gz RIOARYLMMHBZTL-HZPDHXFCSA-N 2 0 307.482 2.454 20 30 DEEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001267845568 1079536506 /nfs/dbraw/zinc/53/65/06/1079536506.db2.gz WQPHLPYWRQBQFI-IAGOWNOFSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484568355 1079665571 /nfs/dbraw/zinc/66/55/71/1079665571.db2.gz JORGIFFLOWOMSP-BZSNNMDCSA-N 2 0 319.493 2.149 20 30 DEEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001484574594 1079667255 /nfs/dbraw/zinc/66/72/55/1079667255.db2.gz GRBIGOHHIAHKPG-XSLAGTTESA-N 2 0 319.493 2.147 20 30 DEEDRP C=CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001484653090 1079709489 /nfs/dbraw/zinc/70/94/89/1079709489.db2.gz MBHAFQFJBGULDE-QGZVFWFLSA-N 2 0 311.445 2.013 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001484728667 1079752220 /nfs/dbraw/zinc/75/22/20/1079752220.db2.gz SZPIZFGEVLPPGU-KRWDZBQOSA-N 2 0 307.482 2.409 20 30 DEEDRP C#CC[NH+]1CCC(CCCCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001484821436 1079814429 /nfs/dbraw/zinc/81/44/29/1079814429.db2.gz YSTDUXWLLATTKZ-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=CCC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001484928132 1079859769 /nfs/dbraw/zinc/85/97/69/1079859769.db2.gz IEKSOIAGNIVTEG-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481487615 1079945072 /nfs/dbraw/zinc/94/50/72/1079945072.db2.gz GEQYDCDKTRRBPF-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001481487940 1079945773 /nfs/dbraw/zinc/94/57/73/1079945773.db2.gz MDBHXCSWKZDPJR-MRXNPFEDSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481492858 1079949795 /nfs/dbraw/zinc/94/97/95/1079949795.db2.gz YYIMKIALFXHAEU-MRXNPFEDSA-N 2 0 324.428 2.060 20 30 DEEDRP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001481516188 1079983493 /nfs/dbraw/zinc/98/34/93/1079983493.db2.gz QCTBIWYEVCWLGG-QGZVFWFLSA-N 2 0 307.482 2.217 20 30 DEEDRP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001481518031 1079987493 /nfs/dbraw/zinc/98/74/93/1079987493.db2.gz DXVYMGKZJUPYCG-GOSISDBHSA-N 2 0 321.509 2.301 20 30 DEEDRP C=CCOc1cccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC001656016743 1080030743 /nfs/dbraw/zinc/03/07/43/1080030743.db2.gz FWHYVJDKIBLUAH-UHFFFAOYSA-N 2 0 317.477 2.367 20 30 DEEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)CCC=C)CC1 ZINC001268098998 1080071314 /nfs/dbraw/zinc/07/13/14/1080071314.db2.gz KDCQPQMCZSZFAK-IAGOWNOFSA-N 2 0 319.493 2.123 20 30 DEEDRP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001485432714 1080204849 /nfs/dbraw/zinc/20/48/49/1080204849.db2.gz BBQLGSUNBQJQQX-YESZJQIVSA-N 2 0 309.498 2.365 20 30 DEEDRP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001485506831 1080268259 /nfs/dbraw/zinc/26/82/59/1080268259.db2.gz QXYYWFWJBAKKGK-WBVHZDCISA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001485539052 1080286131 /nfs/dbraw/zinc/28/61/31/1080286131.db2.gz GUIRLAXKPIJRHE-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001494057356 1080385963 /nfs/dbraw/zinc/38/59/63/1080385963.db2.gz SMKVHADYSJROLQ-QGZVFWFLSA-N 2 0 307.482 2.123 20 30 DEEDRP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001661977884 1080551087 /nfs/dbraw/zinc/55/10/87/1080551087.db2.gz PUKGSHGSCZKSEE-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001661977883 1080551578 /nfs/dbraw/zinc/55/15/78/1080551578.db2.gz PUKGSHGSCZKSEE-QZTJIDSGSA-N 2 0 319.493 2.197 20 30 DEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662675004 1080632537 /nfs/dbraw/zinc/63/25/37/1080632537.db2.gz DHIUMFGVWAUHHW-CVEARBPZSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[NH2+]C[C@]1(NC(=O)Cc2c[nH]cn2)CCCC[C@H]1C ZINC001481961790 1080653058 /nfs/dbraw/zinc/65/30/58/1080653058.db2.gz OCLWPQTZDQCRDV-RHSMWYFYSA-N 2 0 304.438 2.183 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001673406750 1080659315 /nfs/dbraw/zinc/65/93/15/1080659315.db2.gz IVPXCKZXGRRBJD-QGZVFWFLSA-N 2 0 307.482 2.409 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001663120243 1080705376 /nfs/dbraw/zinc/70/53/76/1080705376.db2.gz RQLXWCFKWUERIF-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[N@H+](CC)CCNC(=O)c1sccc1C[NH+](C)C ZINC001663389509 1080739437 /nfs/dbraw/zinc/73/94/37/1080739437.db2.gz UOEIXCJBTGXZMH-UHFFFAOYSA-N 2 0 309.479 2.438 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001663507697 1080761671 /nfs/dbraw/zinc/76/16/71/1080761671.db2.gz CBLNYZIPADRNDL-MRXNPFEDSA-N 2 0 307.482 2.406 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268598168 1080879581 /nfs/dbraw/zinc/87/95/81/1080879581.db2.gz WREIGCYHHQEBHW-YVACAVLKSA-N 2 0 313.873 2.265 20 30 DEEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001664457579 1080912320 /nfs/dbraw/zinc/91/23/20/1080912320.db2.gz RLNOEDMQVQBOHO-DLBZAZTESA-N 2 0 319.493 2.101 20 30 DEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001664597670 1080929849 /nfs/dbraw/zinc/92/98/49/1080929849.db2.gz BZCIAWKTJNCHQP-MSOLQXFVSA-N 2 0 315.461 2.494 20 30 DEEDRP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664726244 1080949474 /nfs/dbraw/zinc/94/94/74/1080949474.db2.gz GUQRUIUJDZVJFV-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001664760042 1080957066 /nfs/dbraw/zinc/95/70/66/1080957066.db2.gz KIUHABHXFJUYGL-DLBZAZTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665741980 1081075731 /nfs/dbraw/zinc/07/57/31/1081075731.db2.gz IPAPDIHRSXHZKF-QGZVFWFLSA-N 2 0 307.482 2.361 20 30 DEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001269071617 1081109183 /nfs/dbraw/zinc/10/91/83/1081109183.db2.gz NDXLTXSXJFXCEG-WMZOPIPTSA-N 2 0 319.493 2.311 20 30 DEEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001666389563 1081149773 /nfs/dbraw/zinc/14/97/73/1081149773.db2.gz JSPGKOSIKYWZJY-GOSISDBHSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001666486743 1081154919 /nfs/dbraw/zinc/15/49/19/1081154919.db2.gz XXWATORKENMXQO-QZTJIDSGSA-N 2 0 319.493 2.101 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001666486742 1081155179 /nfs/dbraw/zinc/15/51/79/1081155179.db2.gz XXWATORKENMXQO-MSOLQXFVSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666620921 1081167505 /nfs/dbraw/zinc/16/75/05/1081167505.db2.gz UZGCHOZGOYBGIZ-WMLDXEAASA-N 2 0 313.461 2.117 20 30 DEEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666620919 1081167566 /nfs/dbraw/zinc/16/75/66/1081167566.db2.gz UZGCHOZGOYBGIZ-PBHICJAKSA-N 2 0 313.461 2.117 20 30 DEEDRP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234503 1081176412 /nfs/dbraw/zinc/17/64/12/1081176412.db2.gz AMUYLPWXONYMEJ-MRXNPFEDSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001667151053 1081216503 /nfs/dbraw/zinc/21/65/03/1081216503.db2.gz JHOAYDZKKJUFGE-DOTOQJQBSA-N 2 0 307.482 2.169 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001667211452 1081225017 /nfs/dbraw/zinc/22/50/17/1081225017.db2.gz UKONDBGAQASSGZ-DZGCQCFKSA-N 2 0 315.889 2.297 20 30 DEEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001667353597 1081242082 /nfs/dbraw/zinc/24/20/82/1081242082.db2.gz VHJHNOKGAGHYKO-QZTJIDSGSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001667668916 1081270778 /nfs/dbraw/zinc/27/07/78/1081270778.db2.gz HKZJJBCRKXZMAH-KRWDZBQOSA-N 2 0 309.498 2.463 20 30 DEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001482228323 1081277394 /nfs/dbraw/zinc/27/73/94/1081277394.db2.gz FRJKGOYQLDDCPM-UHFFFAOYSA-N 2 0 307.482 2.313 20 30 DEEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001668324886 1081341644 /nfs/dbraw/zinc/34/16/44/1081341644.db2.gz DRZDMQDQZUDTBD-SJORKVTESA-N 2 0 307.482 2.005 20 30 DEEDRP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669001053 1081417905 /nfs/dbraw/zinc/41/79/05/1081417905.db2.gz KCNZOPAZKAPBKP-FUYDUDRRSA-N 2 0 307.482 2.333 20 30 DEEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001671598192 1081525325 /nfs/dbraw/zinc/52/53/25/1081525325.db2.gz HQYRRPPPQPJSCJ-IBGZPJMESA-N 2 0 319.493 2.056 20 30 DEEDRP C=C(C)CC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000951758900 1081581220 /nfs/dbraw/zinc/58/12/20/1081581220.db2.gz ZZNDTBZEGPQPSB-UHFFFAOYSA-N 2 0 315.461 2.472 20 30 DEEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001672442717 1081598734 /nfs/dbraw/zinc/59/87/34/1081598734.db2.gz KYAULXIJFYHHSY-CALCHBBNSA-N 2 0 307.482 2.075 20 30 DEEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001270848915 1081743374 /nfs/dbraw/zinc/74/33/74/1081743374.db2.gz XXHUFKFUIVKJPL-GOSISDBHSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001674480266 1081879174 /nfs/dbraw/zinc/87/91/74/1081879174.db2.gz FOWCPLBPMGAHQN-DLBZAZTESA-N 2 0 307.482 2.053 20 30 DEEDRP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001674506238 1081885144 /nfs/dbraw/zinc/88/51/44/1081885144.db2.gz WDRUFLYUHGITOR-ROUUACIJSA-N 2 0 321.509 2.465 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266247343 1081914995 /nfs/dbraw/zinc/91/49/95/1081914995.db2.gz IXVUWPWUHBYKSU-ROUUACIJSA-N 2 0 319.493 2.101 20 30 DEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001671437289 1081953616 /nfs/dbraw/zinc/95/36/16/1081953616.db2.gz QLTPSQJHQFQUFD-UHFFFAOYSA-N 2 0 307.482 2.409 20 30 DEEDRP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001271287147 1082005182 /nfs/dbraw/zinc/00/51/82/1082005182.db2.gz ZAZPXNNXOSUMDO-ZWKOTPCHSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001271460008 1082053803 /nfs/dbraw/zinc/05/38/03/1082053803.db2.gz YCYRRMHAWBWHKW-IRXDYDNUSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001266468215 1082056898 /nfs/dbraw/zinc/05/68/98/1082056898.db2.gz MDQYOJAHURUDDS-SJORKVTESA-N 2 0 316.449 2.074 20 30 DEEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001271578004 1082084372 /nfs/dbraw/zinc/08/43/72/1082084372.db2.gz ZJVJNYXCBQLIGE-IRXDYDNUSA-N 2 0 307.482 2.101 20 30 DEEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167476743 1082342826 /nfs/dbraw/zinc/34/28/26/1082342826.db2.gz HKNBFPZAQSFJEL-QGZVFWFLSA-N 2 0 321.509 2.252 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266845307 1082387833 /nfs/dbraw/zinc/38/78/33/1082387833.db2.gz WAUQCNUWJZEFAQ-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001266859059 1082403681 /nfs/dbraw/zinc/40/36/81/1082403681.db2.gz WRPYHCAISHTYDT-QGZVFWFLSA-N 2 0 307.482 2.265 20 30 DEEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609621 1083514816 /nfs/dbraw/zinc/51/48/16/1083514816.db2.gz ZFOJMFFJHDIZJY-ZHALLVOQSA-N 2 0 319.493 2.265 20 30 DEEDRP C=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276633783 1083525124 /nfs/dbraw/zinc/52/51/24/1083525124.db2.gz OOATVFZOIFKOMY-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835506 1083769683 /nfs/dbraw/zinc/76/96/83/1083769683.db2.gz XIPJDMLBFVZWJM-LNLFQRSKSA-N 2 0 319.493 2.406 20 30 DEEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001277702245 1084102850 /nfs/dbraw/zinc/10/28/50/1084102850.db2.gz JMTQYVPVSIJCAV-QZTJIDSGSA-N 2 0 319.493 2.099 20 30 DEEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001277779732 1084145705 /nfs/dbraw/zinc/14/57/05/1084145705.db2.gz POUVOERHMZWMGT-ALXJQNPVSA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(C)(C)C[NH+](C)C ZINC001272870392 1084399966 /nfs/dbraw/zinc/39/99/66/1084399966.db2.gz ONLMWCFXEZSIPD-HZPDHXFCSA-N 2 0 307.482 2.216 20 30 DEEDRP N#Cc1cccc(N2CC[NH+](CC3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001236142894 1084620431 /nfs/dbraw/zinc/62/04/31/1084620431.db2.gz DPRYERAMIKNORJ-UHFFFAOYSA-N 2 0 324.472 2.460 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741730 1084855673 /nfs/dbraw/zinc/85/56/73/1084855673.db2.gz KHORQUBAHURJST-IAGOWNOFSA-N 2 0 319.493 2.311 20 30 DEEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001486156127 1085097265 /nfs/dbraw/zinc/09/72/65/1085097265.db2.gz TWGXRKOLMNARKP-FUHWJXTLSA-N 2 0 305.466 2.162 20 30 DEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000964222138 1085176584 /nfs/dbraw/zinc/17/65/84/1085176584.db2.gz GVMGRCPXTOCFAF-UHFFFAOYSA-N 2 0 316.449 2.306 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000964377264 1085194595 /nfs/dbraw/zinc/19/45/95/1085194595.db2.gz FCWNWWPSSYYJKL-WLYUNCDWSA-N 2 0 313.873 2.050 20 30 DEEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001486507742 1085384363 /nfs/dbraw/zinc/38/43/63/1085384363.db2.gz XEHKCFKNSXJEJT-JFIYKMOQSA-N 2 0 319.493 2.430 20 30 DEEDRP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001486521046 1085404831 /nfs/dbraw/zinc/40/48/31/1085404831.db2.gz NIDSLNNUIXLIOZ-HOTGVXAUSA-N 2 0 305.466 2.184 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961284589 1085670262 /nfs/dbraw/zinc/67/02/62/1085670262.db2.gz NRDCHBITVPLXES-ZWKOTPCHSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001272994010 1085835607 /nfs/dbraw/zinc/83/56/07/1085835607.db2.gz UVDUDPUOIWSZDG-SJORKVTESA-N 2 0 307.482 2.101 20 30 DEEDRP C#CC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963433290 1086452945 /nfs/dbraw/zinc/45/29/45/1086452945.db2.gz LQOKYMNTFJFAJW-ABHNRTSZSA-N 2 0 319.493 2.242 20 30 DEEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745686 1088379493 /nfs/dbraw/zinc/37/94/93/1088379493.db2.gz DRHWBYMXJWHKLZ-FVQHAEBGSA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603052 1088450012 /nfs/dbraw/zinc/45/00/12/1088450012.db2.gz MNOAWIOWGGSEDQ-DLBZAZTESA-N 2 0 319.493 2.075 20 30 DEEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC000957605892 1088453187 /nfs/dbraw/zinc/45/31/87/1088453187.db2.gz OLCORDRXPXTYAO-KRWDZBQOSA-N 2 0 319.493 2.055 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554179 1089059168 /nfs/dbraw/zinc/05/91/68/1089059168.db2.gz FIDFBBXATDRMAE-BRWVUGGUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558630 1090006338 /nfs/dbraw/zinc/00/63/38/1090006338.db2.gz ZUSMIWFIOPHVOR-IXDOHACOSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001274499602 1091272257 /nfs/dbraw/zinc/27/22/57/1091272257.db2.gz WGFWGVSLLLSANU-DPOFCPOHSA-N 2 0 313.873 2.121 20 30 DEEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001274841610 1091445326 /nfs/dbraw/zinc/44/53/26/1091445326.db2.gz WXCRUGNRWLKXFV-DLBZAZTESA-N 2 0 307.482 2.005 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833190 1091962279 /nfs/dbraw/zinc/96/22/79/1091962279.db2.gz LSOYAFHCVIPALK-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948886222 1091981713 /nfs/dbraw/zinc/98/17/13/1091981713.db2.gz KOIRDUSPXGSVQZ-SFHVURJKSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001489342566 1093030368 /nfs/dbraw/zinc/03/03/68/1093030368.db2.gz QHCZEOSRUCCUOV-HNNXBMFYSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001490664367 1093473221 /nfs/dbraw/zinc/47/32/21/1093473221.db2.gz IKJMJRDQIMMNHH-INIZCTEOSA-N 2 0 307.482 2.311 20 30 DEEDRP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765680 1093518625 /nfs/dbraw/zinc/51/86/25/1093518625.db2.gz GZDRLCGMUBPEBC-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1CC#N ZINC001235526572 1138331557 /nfs/dbraw/zinc/33/15/57/1138331557.db2.gz DRUTZMBPEYJNDD-UHFFFAOYSA-N 2 0 316.493 2.458 20 30 DEEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316667860 1140253435 /nfs/dbraw/zinc/25/34/35/1140253435.db2.gz ARCGBBOMDIWNOW-QGZVFWFLSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491759272 1140300076 /nfs/dbraw/zinc/30/00/76/1140300076.db2.gz TYFMZFVXCAKEEG-SJORKVTESA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001491804800 1140317134 /nfs/dbraw/zinc/31/71/34/1140317134.db2.gz KQELRUDVPDIBQF-DLBZAZTESA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001318439949 1140329749 /nfs/dbraw/zinc/32/97/49/1140329749.db2.gz PVENQTXKEYPQIS-IAGOWNOFSA-N 2 0 322.497 2.199 20 30 DEEDRP C=C(C)C[NH2+]CC1(NC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001318670800 1140383136 /nfs/dbraw/zinc/38/31/36/1140383136.db2.gz NMZOHGSGRJSENT-UHFFFAOYSA-N 2 0 307.482 2.457 20 30 DEEDRP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001318714648 1140391922 /nfs/dbraw/zinc/39/19/22/1140391922.db2.gz RAXNXVDYLPIFDQ-GOSISDBHSA-N 2 0 307.482 2.169 20 30 DEEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001318804823 1140424434 /nfs/dbraw/zinc/42/44/34/1140424434.db2.gz KVWRQEYQTLGHHB-MSOLQXFVSA-N 2 0 319.493 2.102 20 30 DEEDRP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001318829253 1140428639 /nfs/dbraw/zinc/42/86/39/1140428639.db2.gz XQRNDOWEBBJMHC-SJORKVTESA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001318984494 1140486440 /nfs/dbraw/zinc/48/64/40/1140486440.db2.gz VMYUIRYMSFPPNX-BZSNNMDCSA-N 2 0 319.493 2.147 20 30 DEEDRP CC#CC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001319021372 1140491658 /nfs/dbraw/zinc/49/16/58/1140491658.db2.gz YFFVCXHHJRXUBB-SFHVURJKSA-N 2 0 319.493 2.102 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001319093097 1140502515 /nfs/dbraw/zinc/50/25/15/1140502515.db2.gz MMXITOWSJQMJCN-QGZVFWFLSA-N 2 0 319.493 2.102 20 30 DEEDRP N#Cc1cc(-c2ccc3c[nH+]cn3c2)ccc1N1CC[NH2+]CC1 ZINC001245897230 1140828365 /nfs/dbraw/zinc/82/83/65/1140828365.db2.gz URIDLFQRVBTYTF-UHFFFAOYSA-N 2 0 303.369 2.283 20 30 DEEDRP CCCCCCCC[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989014 1140843219 /nfs/dbraw/zinc/84/32/19/1140843219.db2.gz KFJBJIRNYXDDCE-SFHVURJKSA-N 2 0 311.514 2.124 20 30 DEEDRP C[C@H]1C[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246316782 1140883356 /nfs/dbraw/zinc/88/33/56/1140883356.db2.gz UDEPMJCLAJRINN-FUHWJXTLSA-N 2 0 312.461 2.275 20 30 DEEDRP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246360226 1140887898 /nfs/dbraw/zinc/88/78/98/1140887898.db2.gz GOIWLUTUEWYBER-BEFAXECRSA-N 2 0 312.461 2.253 20 30 DEEDRP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322347740 1141536390 /nfs/dbraw/zinc/53/63/90/1141536390.db2.gz VJISFAPZBRPXIR-DLBZAZTESA-N 2 0 319.493 2.149 20 30 DEEDRP C=CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001323722651 1141880655 /nfs/dbraw/zinc/88/06/55/1141880655.db2.gz QXQSJEZHRDOOJW-MRXNPFEDSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278571270 1142211737 /nfs/dbraw/zinc/21/17/37/1142211737.db2.gz DISGIIOWCAXXPW-WMZOPIPTSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001278582917 1142240599 /nfs/dbraw/zinc/24/05/99/1142240599.db2.gz RVZJHNMDSVWCMY-WMZOPIPTSA-N 2 0 307.482 2.265 20 30 DEEDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254662227 1143304336 /nfs/dbraw/zinc/30/43/36/1143304336.db2.gz DFMLVEPFSYSWKM-CADBVGFASA-N 2 0 317.477 2.359 20 30 DEEDRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254671759 1143309256 /nfs/dbraw/zinc/30/92/56/1143309256.db2.gz UDYJJZQGCIUEGT-QZTJIDSGSA-N 2 0 306.498 2.418 20 30 DEEDRP C[N@H+](CCO)CCC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016305 1143879897 /nfs/dbraw/zinc/87/98/97/1143879897.db2.gz ZTJPIVUFVSQGNU-UHFFFAOYSA-N 2 0 315.461 2.488 20 30 DEEDRP C#CCCN1CCC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C1=O ZINC001258902483 1144052667 /nfs/dbraw/zinc/05/26/67/1144052667.db2.gz DDBQUAFIDONZFT-IAGOWNOFSA-N 2 0 307.482 2.101 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001264496754 1144547471 /nfs/dbraw/zinc/54/74/71/1144547471.db2.gz ADYMCBPCLDFPBS-INIZCTEOSA-N 2 0 307.482 2.217 20 30 DEEDRP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001264740540 1144604067 /nfs/dbraw/zinc/60/40/67/1144604067.db2.gz WJPWVGVSQXBSQI-ROUUACIJSA-N 2 0 319.493 2.195 20 30 DEEDRP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001265370121 1144699096 /nfs/dbraw/zinc/69/90/96/1144699096.db2.gz KSUXPIPIBMIVEH-WMLDXEAASA-N 2 0 307.482 2.167 20 30 DEEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001265398550 1144701959 /nfs/dbraw/zinc/70/19/59/1144701959.db2.gz DDERRCGFEYYLKR-GOSISDBHSA-N 2 0 319.493 2.056 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265621487 1144718884 /nfs/dbraw/zinc/71/88/84/1144718884.db2.gz KZQKLCAVNADJBB-DLBZAZTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266010688 1144785284 /nfs/dbraw/zinc/78/52/84/1144785284.db2.gz MAJHAMKVTJSPPV-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266068942 1144802475 /nfs/dbraw/zinc/80/24/75/1144802475.db2.gz RWLSBINIAIYKME-HOTGVXAUSA-N 2 0 307.482 2.005 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266228719 1144816576 /nfs/dbraw/zinc/81/65/76/1144816576.db2.gz MNHDHESBUKIIDW-QGZVFWFLSA-N 2 0 319.493 2.245 20 30 DEEDRP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001279329174 1144820764 /nfs/dbraw/zinc/82/07/64/1144820764.db2.gz QQPBPCYECCVFIF-UHFFFAOYSA-N 2 0 307.482 2.408 20 30 DEEDRP 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 1144822122 /nfs/dbraw/zinc/82/21/22/1144822122.db2.gz ZIAUOTCASMFMJZ-ZJPYXAASSA-N 2 0 321.509 2.318 20 30 DEEDRP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001281499236 1144893486 /nfs/dbraw/zinc/89/34/86/1144893486.db2.gz YPVLSRIUJNBVPI-QGZVFWFLSA-N 2 0 319.493 2.265 20 30 DEEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001281552853 1144896706 /nfs/dbraw/zinc/89/67/06/1144896706.db2.gz MFFXGKXCOWFZMO-MRXNPFEDSA-N 2 0 321.509 2.204 20 30 DEEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001282667254 1145119553 /nfs/dbraw/zinc/11/95/53/1145119553.db2.gz PHOOMLPDRXMQJM-CVEARBPZSA-N 2 0 313.461 2.213 20 30 DEEDRP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001282693790 1145129151 /nfs/dbraw/zinc/12/91/51/1145129151.db2.gz RICGLEWQFVQNKJ-WBVHZDCISA-N 2 0 309.498 2.488 20 30 DEEDRP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001282959588 1145214293 /nfs/dbraw/zinc/21/42/93/1145214293.db2.gz VOFTVHOBWCIRJD-BBWFWOEESA-N 2 0 307.482 2.119 20 30 DEEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001284033038 1145761680 /nfs/dbraw/zinc/76/16/80/1145761680.db2.gz NMLYFHKQZPXYKN-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001284150270 1145808166 /nfs/dbraw/zinc/80/81/66/1145808166.db2.gz ALUMHRQEDLKICV-MSOLQXFVSA-N 2 0 319.493 2.245 20 30 DEEDRP C#CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C(C)(C)C ZINC001284603284 1145877705 /nfs/dbraw/zinc/87/77/05/1145877705.db2.gz HJEMDCLAZDYCKB-INIZCTEOSA-N 2 0 312.417 2.010 20 30 DEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001491933851 1147006164 /nfs/dbraw/zinc/00/61/64/1147006164.db2.gz RYHSPLKVFRWVBP-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491947870 1147014039 /nfs/dbraw/zinc/01/40/39/1147014039.db2.gz YMFLMAQZWPKEAC-DLBZAZTESA-N 2 0 307.482 2.053 20 30 DEEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491964813 1147024714 /nfs/dbraw/zinc/02/47/14/1147024714.db2.gz BRTGQEIVLBCBRX-SFHVURJKSA-N 2 0 319.493 2.199 20 30 DEEDRP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001317205875 1147275149 /nfs/dbraw/zinc/27/51/49/1147275149.db2.gz FSLZUIFFZPPGRF-SJORKVTESA-N 2 0 307.482 2.360 20 30 DEEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001316998233 1147646833 /nfs/dbraw/zinc/64/68/33/1147646833.db2.gz KLINSAUDLNSJFL-HZPDHXFCSA-N 2 0 305.466 2.018 20 30 DEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001317024049 1147649588 /nfs/dbraw/zinc/64/95/88/1147649588.db2.gz CYGNSUGGWCGNTK-DLBZAZTESA-N 2 0 307.482 2.169 20 30 DEEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317115230 1147661431 /nfs/dbraw/zinc/66/14/31/1147661431.db2.gz MXUBXXZKZPEQID-BBWFWOEESA-N 2 0 307.482 2.454 20 30 DEEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317153683 1147667374 /nfs/dbraw/zinc/66/73/74/1147667374.db2.gz WWZJORJMHDQASO-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001317200820 1147675437 /nfs/dbraw/zinc/67/54/37/1147675437.db2.gz VODPDYGVXUTTPX-GOSISDBHSA-N 2 0 319.493 2.247 20 30 DEEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317342101 1147693371 /nfs/dbraw/zinc/69/33/71/1147693371.db2.gz FNXDNSGRYVBVDC-FUHWJXTLSA-N 2 0 315.461 2.304 20 30 DEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317376193 1147699027 /nfs/dbraw/zinc/69/90/27/1147699027.db2.gz NHRMBHVQVCRDTF-QGZVFWFLSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)C[N@H+](CC)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317489216 1147714492 /nfs/dbraw/zinc/71/44/92/1147714492.db2.gz XPZCTLHIEXBLGS-UHFFFAOYSA-N 2 0 307.482 2.123 20 30 DEEDRP C=C(C)C[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001317559406 1147725405 /nfs/dbraw/zinc/72/54/05/1147725405.db2.gz XDZFJZYVUGXYQA-UHFFFAOYSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001317704550 1147745865 /nfs/dbraw/zinc/74/58/65/1147745865.db2.gz FBWGLUJDDOIWCO-GOSISDBHSA-N 2 0 321.509 2.489 20 30 DEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001324831204 1147850821 /nfs/dbraw/zinc/85/08/21/1147850821.db2.gz CELVGLDIUMEYKZ-SFHVURJKSA-N 2 0 307.482 2.267 20 30 DEEDRP CC#CC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001324905782 1147857257 /nfs/dbraw/zinc/85/72/57/1147857257.db2.gz WGGWVBIPPJTDTE-UHFFFAOYSA-N 2 0 319.493 2.104 20 30 DEEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001325581694 1147955358 /nfs/dbraw/zinc/95/53/58/1147955358.db2.gz NKGXBYKLJZVHSR-WMZOPIPTSA-N 2 0 321.509 2.367 20 30 DEEDRP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[C@H](C)n1ccnc1 ZINC001325701662 1147986012 /nfs/dbraw/zinc/98/60/12/1147986012.db2.gz NPWSDDITNZGXGK-KRWDZBQOSA-N 2 0 324.428 2.086 20 30 DEEDRP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001326271849 1148067490 /nfs/dbraw/zinc/06/74/90/1148067490.db2.gz FDRHZCLATGKRAO-SJLPKXTDSA-N 2 0 319.493 2.123 20 30 DEEDRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C#N)cc1 ZINC000447529480 529593235 /nfs/dbraw/zinc/59/32/35/529593235.db2.gz LMHBEBMOIVQXGK-SFHVURJKSA-N 2 0 301.434 2.303 20 30 DEEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264090629 529695355 /nfs/dbraw/zinc/69/53/55/529695355.db2.gz KVYYNEDHVRDJLU-DOTOQJQBSA-N 2 0 302.466 2.254 20 30 DEEDRP CC[NH+](CC)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181395978 199290218 /nfs/dbraw/zinc/29/02/18/199290218.db2.gz JXPRBMYGKYJAKY-UHFFFAOYSA-N 2 0 314.477 2.454 20 30 DEEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713329 529774556 /nfs/dbraw/zinc/77/45/56/529774556.db2.gz ISVBNYVSLXWVOP-RTBURBONSA-N 2 0 312.461 2.216 20 30 DEEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000172185652 198054318 /nfs/dbraw/zinc/05/43/18/198054318.db2.gz SPDSZSOTAZCSNT-INIZCTEOSA-N 2 0 324.513 2.302 20 30 DEEDRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])NC3CC3)c2)CC1 ZINC000066245846 354705437 /nfs/dbraw/zinc/70/54/37/354705437.db2.gz CIUBWSQFBZYFIH-UHFFFAOYSA-N 2 0 300.450 2.485 20 30 DEEDRP CC1CC[NH+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083031538 355462140 /nfs/dbraw/zinc/46/21/40/355462140.db2.gz HYVIBXNBALGHMS-MRXNPFEDSA-N 2 0 316.449 2.146 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000417057734 540164767 /nfs/dbraw/zinc/16/47/67/540164767.db2.gz CRUJRDFOQBPFGR-YESZJQIVSA-N 2 0 322.497 2.254 20 30 DEEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000581720264 357237173 /nfs/dbraw/zinc/23/71/73/357237173.db2.gz BXYPZRAFULQTJB-VYDXJSESSA-N 2 0 316.424 2.383 20 30 DEEDRP Cc1cc(C#N)ccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000588977329 357438443 /nfs/dbraw/zinc/43/84/43/357438443.db2.gz UNNAXFDRDXLBJQ-UHFFFAOYSA-N 2 0 302.466 2.182 20 30 DEEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591577687 357737873 /nfs/dbraw/zinc/73/78/73/357737873.db2.gz AFBZZDQYCRSOEY-LJQANCHMSA-N 2 0 312.461 2.254 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660598504 540310148 /nfs/dbraw/zinc/31/01/48/540310148.db2.gz ZSXVPSZHYYAKPT-INIZCTEOSA-N 2 0 322.497 2.199 20 30 DEEDRP C=CCc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc(OC)c1O ZINC000666952187 540369024 /nfs/dbraw/zinc/36/90/24/540369024.db2.gz JNSBRUZYLMMEOG-MRXNPFEDSA-N 2 0 302.418 2.361 20 30 DEEDRP C[NH+](CC#CC[N@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000276621379 213007129 /nfs/dbraw/zinc/00/71/29/213007129.db2.gz USYPJGJLEPNVDP-UHFFFAOYSA-N 2 0 322.456 2.129 20 30 DEEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000598597675 359254899 /nfs/dbraw/zinc/25/48/99/359254899.db2.gz SURCOLRBPSJTRF-BHYGNILZSA-N 2 0 305.466 2.236 20 30 DEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000442781324 238075943 /nfs/dbraw/zinc/07/59/43/238075943.db2.gz ILPFNJUDWVXIMA-QZTJIDSGSA-N 2 0 313.445 2.425 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000106331679 194198480 /nfs/dbraw/zinc/19/84/80/194198480.db2.gz PWKCHUOJTZUVMT-MRXNPFEDSA-N 2 0 322.497 2.201 20 30 DEEDRP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000268961694 207127029 /nfs/dbraw/zinc/12/70/29/207127029.db2.gz JAOBETMVMGCYGV-RBUKOAKNSA-N 2 0 313.445 2.416 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246396699 402528914 /nfs/dbraw/zinc/52/89/14/402528914.db2.gz SWOCHVZHAQPPGB-NVXWUHKLSA-N 2 0 322.497 2.009 20 30 DEEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)N1 ZINC000262635717 402728737 /nfs/dbraw/zinc/72/87/37/402728737.db2.gz GTAYNNCRUPKYRE-GJZGRUSLSA-N 2 0 300.450 2.356 20 30 DEEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000271817303 402884409 /nfs/dbraw/zinc/88/44/09/402884409.db2.gz BWDZUXBZDQCWRE-MAUKXSAKSA-N 2 0 301.434 2.446 20 30 DEEDRP CC(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000269405964 403136893 /nfs/dbraw/zinc/13/68/93/403136893.db2.gz HNLVMAICGIWGEX-GOSISDBHSA-N 2 0 318.440 2.059 20 30 DEEDRP CC(C)C(N)=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283616066 403210094 /nfs/dbraw/zinc/21/00/94/403210094.db2.gz VPRMKTPSERFMRF-MRXNPFEDSA-N 2 0 305.422 2.222 20 30 DEEDRP C#CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000277660151 403242363 /nfs/dbraw/zinc/24/23/63/403242363.db2.gz FJZNUOKPRVSGQX-QGZVFWFLSA-N 2 0 316.445 2.289 20 30 DEEDRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000369511781 404120826 /nfs/dbraw/zinc/12/08/26/404120826.db2.gz PFDYGWWWOSRTJD-UHFFFAOYSA-N 2 0 312.461 2.018 20 30 DEEDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCCC(C)(C)C#N)CC2)C1 ZINC000364353874 404363410 /nfs/dbraw/zinc/36/34/10/404363410.db2.gz NKKGRGMWASYHEA-QGZVFWFLSA-N 2 0 306.498 2.418 20 30 DEEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000364355437 404365962 /nfs/dbraw/zinc/36/59/62/404365962.db2.gz RYZXWYAMEDAACL-QGZVFWFLSA-N 2 0 306.498 2.418 20 30 DEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353241165 404779677 /nfs/dbraw/zinc/77/96/77/404779677.db2.gz LBFXGWRLSITUIG-SJLPKXTDSA-N 2 0 301.434 2.492 20 30 DEEDRP C=CCCOCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012967 405694875 /nfs/dbraw/zinc/69/48/75/405694875.db2.gz LRJVHEHANJHQKT-WMZOPIPTSA-N 2 0 302.418 2.425 20 30 DEEDRP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423264003 405741792 /nfs/dbraw/zinc/74/17/92/405741792.db2.gz PKEKAZBPEXJWPT-IBGZPJMESA-N 2 0 314.477 2.486 20 30 DEEDRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000561482066 405931784 /nfs/dbraw/zinc/93/17/84/405931784.db2.gz PDKKVYUEVROYCC-NEWSRXKRSA-N 2 0 312.461 2.257 20 30 DEEDRP CC#CC[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000641769182 406888224 /nfs/dbraw/zinc/88/82/24/406888224.db2.gz PFZDIRSOFJVNFZ-GOSISDBHSA-N 2 0 316.445 2.025 20 30 DEEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055214 230331631 /nfs/dbraw/zinc/33/16/31/230331631.db2.gz CXDYJBDBHBHQMD-VRLRAXNCSA-N 2 0 302.422 2.359 20 30 DEEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001328265899 1148758935 /nfs/dbraw/zinc/75/89/35/1148758935.db2.gz FGELPTQUAYEKCY-IRXDYDNUSA-N 2 0 319.493 2.101 20 30 DEEDRP C=CCCn1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nn1 ZINC000657311697 425299353 /nfs/dbraw/zinc/29/93/53/425299353.db2.gz RVOQIFVXLWXDFC-INIZCTEOSA-N 2 0 305.470 2.456 20 30 DEEDRP C=CC[C@@]1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCC[NH2+]1 ZINC000662663091 425706497 /nfs/dbraw/zinc/70/64/97/425706497.db2.gz LBTORVDDEFTHBF-WMZOPIPTSA-N 2 0 319.424 2.243 20 30 DEEDRP C=CC[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662682180 425712490 /nfs/dbraw/zinc/71/24/90/425712490.db2.gz HPPZTJSCXNVUBC-WMZOPIPTSA-N 2 0 307.482 2.313 20 30 DEEDRP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877269 425754789 /nfs/dbraw/zinc/75/47/89/425754789.db2.gz HMXDOKYDBFUOPS-MAUKXSAKSA-N 2 0 305.466 2.208 20 30 DEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)C(C)C ZINC000370846159 277852402 /nfs/dbraw/zinc/85/24/02/277852402.db2.gz KMRIDLZAQMJDGR-SJLPKXTDSA-N 2 0 307.482 2.191 20 30 DEEDRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278668054 288059444 /nfs/dbraw/zinc/05/94/44/288059444.db2.gz JBPUIWQBIDVERF-YJBOKZPZSA-N 2 0 300.450 2.235 20 30 DEEDRP Cc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1C#N ZINC000443999969 533709342 /nfs/dbraw/zinc/70/93/42/533709342.db2.gz VKYXUYPWYNDYMO-UHFFFAOYSA-N 2 0 324.428 2.492 20 30 DEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH3+])CCCCC1)C(C)C ZINC000236654830 332201247 /nfs/dbraw/zinc/20/12/47/332201247.db2.gz WBXXIJVBVTUZCP-INIZCTEOSA-N 2 0 307.482 2.463 20 30 DEEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330260239 1149081865 /nfs/dbraw/zinc/08/18/65/1149081865.db2.gz BFUAGPXYESTJAO-INIZCTEOSA-N 2 0 307.482 2.265 20 30 DEEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCCC1 ZINC000262315940 526352073 /nfs/dbraw/zinc/35/20/73/526352073.db2.gz PHHBOEUFRSVOBB-UHFFFAOYSA-N 2 0 324.538 2.409 20 30 DEEDRP C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@@H]1CC[N@H+](C)C1 ZINC000262490470 526380617 /nfs/dbraw/zinc/38/06/17/526380617.db2.gz UQULVGDQPBRXQR-LBPRGKRZSA-N 2 0 324.469 2.164 20 30 DEEDRP C[NH+]=C(NCc1sccc1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261947046 526393779 /nfs/dbraw/zinc/39/37/79/526393779.db2.gz GFNROBDVXVZFHH-JSGCOSHPSA-N 2 0 306.479 2.204 20 30 DEEDRP C=CCN1CC[C@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000337171110 526505290 /nfs/dbraw/zinc/50/52/90/526505290.db2.gz DLFIGWPUPGTCQK-SFHVURJKSA-N 2 0 319.493 2.361 20 30 DEEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc21 ZINC000263107143 528809222 /nfs/dbraw/zinc/80/92/22/528809222.db2.gz DAXZMQVVJOTBHL-HNNXBMFYSA-N 2 0 312.461 2.499 20 30 DEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1coc2ccccc12 ZINC000262382650 529074660 /nfs/dbraw/zinc/07/46/60/529074660.db2.gz KRDJAZQUJYJIFD-CQSZACIVSA-N 2 0 300.406 2.321 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(Cl)cccc1OC ZINC000191151867 529100807 /nfs/dbraw/zinc/10/08/07/529100807.db2.gz YQVKFVDZCGWCFD-LBPRGKRZSA-N 2 0 324.856 2.237 20 30 DEEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025267605 625314244 /nfs/dbraw/zinc/31/42/44/625314244.db2.gz QQGQMWSHJFCQEC-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023553244 625323914 /nfs/dbraw/zinc/32/39/14/625323914.db2.gz YCYBFYMFJRMHSO-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293757 625327930 /nfs/dbraw/zinc/32/79/30/625327930.db2.gz FVOPLHJBCZENEH-SJORKVTESA-N 2 0 305.466 2.114 20 30 DEEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972609585 625354180 /nfs/dbraw/zinc/35/41/80/625354180.db2.gz BTSPWDWXUDDGBV-HNNXBMFYSA-N 2 0 313.873 2.004 20 30 DEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CCOC)CCCCC1 ZINC000187056659 625415220 /nfs/dbraw/zinc/41/52/20/625415220.db2.gz LRYXIURUEGZPPL-INIZCTEOSA-N 2 0 324.513 2.362 20 30 DEEDRP C=CC[NH2+]C1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026507137 625488840 /nfs/dbraw/zinc/48/88/40/625488840.db2.gz NSAHXAZMKJRPCT-JCYILVPMSA-N 2 0 307.482 2.452 20 30 DEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001026521956 625497138 /nfs/dbraw/zinc/49/71/38/625497138.db2.gz HDCCURXXDXRQSV-UHFFFAOYSA-N 2 0 305.466 2.208 20 30 DEEDRP C[NH+]1CCC(N2CCC([NH2+]CC#Cc3ccccc3)CC2)CC1 ZINC000892762508 625556961 /nfs/dbraw/zinc/55/69/61/625556961.db2.gz FFCLJHAMERFJAM-UHFFFAOYSA-N 2 0 311.473 2.186 20 30 DEEDRP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114690 622567783 /nfs/dbraw/zinc/56/77/83/622567783.db2.gz KPCAWDUHFNVOSJ-QGZVFWFLSA-N 2 0 319.493 2.409 20 30 DEEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969680514 622880183 /nfs/dbraw/zinc/88/01/83/622880183.db2.gz NDUSVTAZZBDLMN-HOTGVXAUSA-N 2 0 319.493 2.264 20 30 DEEDRP 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 622926213 /nfs/dbraw/zinc/92/62/13/622926213.db2.gz KCCDWSHQSHKNGI-ZQIUZPCESA-N 2 0 311.445 2.012 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969836352 622941569 /nfs/dbraw/zinc/94/15/69/622941569.db2.gz LYYWDZUFYJWSJM-CRAIPNDOSA-N 2 0 319.493 2.406 20 30 DEEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970673158 623608115 /nfs/dbraw/zinc/60/81/15/623608115.db2.gz PQVUFMPDTJEQGZ-OAHLLOKOSA-N 2 0 307.482 2.119 20 30 DEEDRP C[NH+]=C(NCc1ccoc1)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000176322169 624711661 /nfs/dbraw/zinc/71/16/61/624711661.db2.gz KHFJYXKJXGNFGJ-YOEHRIQHSA-N 2 0 306.454 2.455 20 30 DEEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749895 625032165 /nfs/dbraw/zinc/03/21/65/625032165.db2.gz IPPOJVSWZBJNQG-SFHVURJKSA-N 2 0 319.493 2.265 20 30 DEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468096 625794684 /nfs/dbraw/zinc/79/46/84/625794684.db2.gz IFPGOLUJEMSDPP-SJORKVTESA-N 2 0 307.482 2.408 20 30 DEEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531570 625848590 /nfs/dbraw/zinc/84/85/90/625848590.db2.gz TUIVKNMXWPIGIN-MRXNPFEDSA-N 2 0 305.466 2.162 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000999308094 634556803 /nfs/dbraw/zinc/55/68/03/634556803.db2.gz PIOALHIPJUVQAM-CABCVRRESA-N 2 0 313.873 2.194 20 30 DEEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000261744 634826616 /nfs/dbraw/zinc/82/66/16/634826616.db2.gz UJLCOSGWCIPMMS-WBVHZDCISA-N 2 0 319.493 2.121 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC000995820696 633127822 /nfs/dbraw/zinc/12/78/22/633127822.db2.gz HHCHPNNNUWXYAR-OAHLLOKOSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1(C)C ZINC000995888357 633138718 /nfs/dbraw/zinc/13/87/18/633138718.db2.gz XDAVLJHBIVDRPF-IAGOWNOFSA-N 2 0 321.509 2.367 20 30 DEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974654081 633210953 /nfs/dbraw/zinc/21/09/53/633210953.db2.gz GZBZYXPMLFIIGF-HOTGVXAUSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000996501749 633274405 /nfs/dbraw/zinc/27/44/05/633274405.db2.gz MMQMUVABGIJGFD-QGZVFWFLSA-N 2 0 319.493 2.121 20 30 DEEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974746731 633278815 /nfs/dbraw/zinc/27/88/15/633278815.db2.gz PTZBOKKCARBBHH-QGZVFWFLSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975107579 633422644 /nfs/dbraw/zinc/42/26/44/633422644.db2.gz HGCNJAZYVGWWOJ-HZPDHXFCSA-N 2 0 307.482 2.262 20 30 DEEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997362832 633715706 /nfs/dbraw/zinc/71/57/06/633715706.db2.gz CQCMHBPZFIJCHY-HNNXBMFYSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000997366890 633717493 /nfs/dbraw/zinc/71/74/93/633717493.db2.gz OZMJAWSSESFYLY-QGZVFWFLSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977216771 633881760 /nfs/dbraw/zinc/88/17/60/633881760.db2.gz OKHXOURKMPBZNJ-MRXNPFEDSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997612371 633899420 /nfs/dbraw/zinc/89/94/20/633899420.db2.gz GHLOSZJHPIVIET-RDJZCZTQSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997865795 634014769 /nfs/dbraw/zinc/01/47/69/634014769.db2.gz HYLGEGWOAKWMNU-RDJZCZTQSA-N 2 0 307.482 2.121 20 30 DEEDRP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998007492 634108064 /nfs/dbraw/zinc/10/80/64/634108064.db2.gz OOEDOPCNJPLHKZ-FGTMMUONSA-N 2 0 319.493 2.053 20 30 DEEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000998049775 634124444 /nfs/dbraw/zinc/12/44/44/634124444.db2.gz JBSMOOWRMDPYSA-QGZVFWFLSA-N 2 0 324.428 2.284 20 30 DEEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998102784 634140952 /nfs/dbraw/zinc/14/09/52/634140952.db2.gz OHRVTIQAQSANOI-ROUUACIJSA-N 2 0 319.493 2.197 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980170325 634873546 /nfs/dbraw/zinc/87/35/46/634873546.db2.gz BNJVCZDRIURUDM-KSZLIROESA-N 2 0 319.493 2.121 20 30 DEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980486681 635018918 /nfs/dbraw/zinc/01/89/18/635018918.db2.gz VMJMNFDYTJJGEF-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839377 635318407 /nfs/dbraw/zinc/31/84/07/635318407.db2.gz DUWVBXNUCZNXEO-QZTJIDSGSA-N 2 0 317.477 2.328 20 30 DEEDRP C=CC[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001000875917 635323685 /nfs/dbraw/zinc/32/36/85/635323685.db2.gz QVPIPTFJKRLGKL-UHFFFAOYSA-N 2 0 310.401 2.191 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001001006543 635377547 /nfs/dbraw/zinc/37/75/47/635377547.db2.gz IKCSUGBDUQBKRJ-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981269143 635416882 /nfs/dbraw/zinc/41/68/82/635416882.db2.gz UHPKFBVAWDHFIX-HOTGVXAUSA-N 2 0 307.482 2.454 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000981364363 635454084 /nfs/dbraw/zinc/45/40/84/635454084.db2.gz NFVATDKQTLVSLJ-SJORKVTESA-N 2 0 307.482 2.311 20 30 DEEDRP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098868 635515239 /nfs/dbraw/zinc/51/52/39/635515239.db2.gz XGHVRCQYSIAMKP-YESZJQIVSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000981779156 635638345 /nfs/dbraw/zinc/63/83/45/635638345.db2.gz VMBHKPOTEDGTID-DLBZAZTESA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982013282 635811174 /nfs/dbraw/zinc/81/11/74/635811174.db2.gz PPMHSZOZQIQLFZ-IAGOWNOFSA-N 2 0 319.493 2.075 20 30 DEEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000982163853 635890180 /nfs/dbraw/zinc/89/01/80/635890180.db2.gz ZQRQLMRBMRVTRT-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982234982 635910984 /nfs/dbraw/zinc/91/09/84/635910984.db2.gz FYELWXJWWLQHHZ-QRQLOZEOSA-N 2 0 319.493 2.217 20 30 DEEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)CC[C@@H]2C1 ZINC000946571100 635966885 /nfs/dbraw/zinc/96/68/85/635966885.db2.gz RKUIYSYEPKTKDE-IYBDPMFKSA-N 2 0 316.449 2.089 20 30 DEEDRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000922386580 636151860 /nfs/dbraw/zinc/15/18/60/636151860.db2.gz GKIXFEJXKFYEBU-VQHPVUNQSA-N 2 0 319.474 2.189 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028592247 636433467 /nfs/dbraw/zinc/43/34/67/636433467.db2.gz IYAFFUUQXYZEGX-ROUUACIJSA-N 2 0 321.509 2.369 20 30 DEEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647445 636544702 /nfs/dbraw/zinc/54/47/02/636544702.db2.gz IGQQAMNVSLVVLB-IAGOWNOFSA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661551 636573008 /nfs/dbraw/zinc/57/30/08/636573008.db2.gz LXVSDVVOZLWUHL-HNNXBMFYSA-N 2 0 312.417 2.352 20 30 DEEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028755820 636703793 /nfs/dbraw/zinc/70/37/93/636703793.db2.gz VMSOTOFRLVUUDG-SJORKVTESA-N 2 0 307.482 2.123 20 30 DEEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755562 636705049 /nfs/dbraw/zinc/70/50/49/636705049.db2.gz QEMPNLKYLZDESZ-AEFFLSMTSA-N 2 0 319.493 2.408 20 30 DEEDRP C=CCC[C@@H](O)CN(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923335810 637122401 /nfs/dbraw/zinc/12/24/01/637122401.db2.gz DULFZHDOMJNLLX-LSDHHAIUSA-N 2 0 309.479 2.190 20 30 DEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923385977 637154118 /nfs/dbraw/zinc/15/41/18/637154118.db2.gz IAGVCFMSQINIRS-RTBURBONSA-N 2 0 313.445 2.303 20 30 DEEDRP C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000923388390 637156029 /nfs/dbraw/zinc/15/60/29/637156029.db2.gz JIXNNFXUOGSLEI-ZTFGCOKTSA-N 2 0 301.434 2.431 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006082905 637177505 /nfs/dbraw/zinc/17/75/05/637177505.db2.gz DITOKHFAUGGXEK-SFHVURJKSA-N 2 0 319.493 2.195 20 30 DEEDRP CC#CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006232247 637289453 /nfs/dbraw/zinc/28/94/53/637289453.db2.gz KFFVUKACENALSL-UHFFFAOYSA-N 2 0 319.493 2.053 20 30 DEEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006283179 637321705 /nfs/dbraw/zinc/32/17/05/637321705.db2.gz JSDOYWVYOAMCKW-DOTOQJQBSA-N 2 0 307.482 2.216 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000987187116 640113474 /nfs/dbraw/zinc/11/34/74/640113474.db2.gz ANBQJPJVTWSUDN-YOEHRIQHSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000764495387 640646410 /nfs/dbraw/zinc/64/64/10/640646410.db2.gz SQYFJGRLQGFVDJ-OAHLLOKOSA-N 2 0 303.450 2.350 20 30 DEEDRP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483225 641121043 /nfs/dbraw/zinc/12/10/43/641121043.db2.gz PSZWBKFTLQDTDE-DLBZAZTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989825578 641248778 /nfs/dbraw/zinc/24/87/78/641248778.db2.gz HRXBSGFHDXJMAX-PBHICJAKSA-N 2 0 301.434 2.127 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900605397 642419196 /nfs/dbraw/zinc/41/91/96/642419196.db2.gz KLAGTWPMWBKDNG-DLBZAZTESA-N 2 0 305.466 2.160 20 30 DEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000901233436 642601347 /nfs/dbraw/zinc/60/13/47/642601347.db2.gz LYKUPKIBLFSJAT-IAGOWNOFSA-N 2 0 301.434 2.056 20 30 DEEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902871366 643166195 /nfs/dbraw/zinc/16/61/95/643166195.db2.gz MYAMRENZORUWFO-XHSDSOJGSA-N 2 0 316.449 2.493 20 30 DEEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814068 643463621 /nfs/dbraw/zinc/46/36/21/643463621.db2.gz JROWIWZGPGCTLU-MRXNPFEDSA-N 2 0 305.466 2.171 20 30 DEEDRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000903988019 643541413 /nfs/dbraw/zinc/54/14/13/643541413.db2.gz MPVMQRHXCITVBK-HOTGVXAUSA-N 2 0 301.438 2.203 20 30 DEEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991857028 646670189 /nfs/dbraw/zinc/67/01/89/646670189.db2.gz CGSPJKCFLBCRIT-IEBWSBKVSA-N 2 0 322.412 2.084 20 30 DEEDRP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992149865 646874697 /nfs/dbraw/zinc/87/46/97/646874697.db2.gz OEIDLEFWLWIASP-JENIJYKNSA-N 2 0 319.493 2.408 20 30 DEEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC000992710841 647193254 /nfs/dbraw/zinc/19/32/54/647193254.db2.gz JUSKTUSCPKNYQA-YESZJQIVSA-N 2 0 319.493 2.264 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993534464 647692457 /nfs/dbraw/zinc/69/24/57/647692457.db2.gz YJANBJPHBWLIEM-HZPDHXFCSA-N 2 0 305.466 2.160 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745717 648932957 /nfs/dbraw/zinc/93/29/57/648932957.db2.gz SVRRKAOZDCWSPG-DLBZAZTESA-N 2 0 319.493 2.121 20 30 DEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757003 648940369 /nfs/dbraw/zinc/94/03/69/648940369.db2.gz PFKCQFHRGKLSNM-BZUAXINKSA-N 2 0 307.482 2.119 20 30 DEEDRP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000827570138 649052528 /nfs/dbraw/zinc/05/25/28/649052528.db2.gz IPZVZVVICDSMDR-IBGZPJMESA-N 2 0 316.445 2.145 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372256 649096548 /nfs/dbraw/zinc/09/65/48/649096548.db2.gz AMYYYNQNGGFRAV-QZTJIDSGSA-N 2 0 319.493 2.217 20 30 DEEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942206467 649184768 /nfs/dbraw/zinc/18/47/68/649184768.db2.gz ZWTNDAGFNLSCED-KBXCAEBGSA-N 2 0 324.428 2.106 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582078 649253286 /nfs/dbraw/zinc/25/32/86/649253286.db2.gz ROXXCCVDEHITSN-ZBFHGGJFSA-N 2 0 319.449 2.358 20 30 DEEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000848414835 651457168 /nfs/dbraw/zinc/45/71/68/651457168.db2.gz OXVXRZIGNUDCAD-OFLPRAFFSA-N 2 0 320.481 2.311 20 30 DEEDRP CC(C)[N@@H+]1CC[C@@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000848996187 651575601 /nfs/dbraw/zinc/57/56/01/651575601.db2.gz JGUAMWXTCZMDRD-KRWDZBQOSA-N 2 0 302.466 2.424 20 30 DEEDRP C=C(C)CNC(=[NH2+])NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000849006439 651579733 /nfs/dbraw/zinc/57/97/33/651579733.db2.gz JJLBRVBDVIHSGM-UHFFFAOYSA-N 2 0 308.470 2.100 20 30 DEEDRP C=CC[C@@H]1CCCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853536564 652564553 /nfs/dbraw/zinc/56/45/53/652564553.db2.gz DREISUGCDRNDHB-QAPCUYQASA-N 2 0 319.449 2.149 20 30 DEEDRP [NH2+]=C(NCC1CCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304762566 685260960 /nfs/dbraw/zinc/26/09/60/685260960.db2.gz VVDVCQRQEPKXEN-KRWDZBQOSA-N 2 0 300.450 2.355 20 30 DEEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154760 693865067 /nfs/dbraw/zinc/86/50/67/693865067.db2.gz VOUWVMYPWWNNCE-AEFFLSMTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054184837 693874019 /nfs/dbraw/zinc/87/40/19/693874019.db2.gz MTAPRZDHGCFRDS-LNLFQRSKSA-N 2 0 319.493 2.217 20 30 DEEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000303869694 685236303 /nfs/dbraw/zinc/23/63/03/685236303.db2.gz BAGCINWLYFLMKK-MRXNPFEDSA-N 2 0 317.481 2.056 20 30 DEEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000303884172 685237992 /nfs/dbraw/zinc/23/79/92/685237992.db2.gz IYZIBVSIAFVCQU-MRXNPFEDSA-N 2 0 317.481 2.056 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015797058 687425067 /nfs/dbraw/zinc/42/50/67/687425067.db2.gz WJEOPALBWUVIDS-SJORKVTESA-N 2 0 307.482 2.406 20 30 DEEDRP N#Cc1ccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000866704818 687659640 /nfs/dbraw/zinc/65/96/40/687659640.db2.gz YBWFMLAAYQRAPJ-UHFFFAOYSA-N 2 0 312.461 2.460 20 30 DEEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016687259 687682215 /nfs/dbraw/zinc/68/22/15/687682215.db2.gz GFRRHPJFZUQSKK-CVEARBPZSA-N 2 0 305.466 2.018 20 30 DEEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051885 688039068 /nfs/dbraw/zinc/03/90/68/688039068.db2.gz KWCLUIXEVSSPRE-ZJPYXAASSA-N 2 0 317.477 2.255 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020238851 688489104 /nfs/dbraw/zinc/48/91/04/688489104.db2.gz FRBHCKUDNNPLSX-RBSFLKMASA-N 2 0 313.873 2.239 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001200 688549229 /nfs/dbraw/zinc/54/92/29/688549229.db2.gz RIMYNCDASGDFII-INIZCTEOSA-N 2 0 315.461 2.376 20 30 DEEDRP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223694 689430027 /nfs/dbraw/zinc/43/00/27/689430027.db2.gz TVTZVYYKIYRXCU-IRXDYDNUSA-N 2 0 307.482 2.216 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033294639 689451899 /nfs/dbraw/zinc/45/18/99/689451899.db2.gz CFBGFMPPIWIJQE-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033573018 689547512 /nfs/dbraw/zinc/54/75/12/689547512.db2.gz CSSOWXZPBMFUSE-SFHVURJKSA-N 2 0 319.493 2.217 20 30 DEEDRP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932920 689666463 /nfs/dbraw/zinc/66/64/63/689666463.db2.gz UMJXRGAPKGFYCY-SJORKVTESA-N 2 0 307.482 2.217 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033937989 689667888 /nfs/dbraw/zinc/66/78/88/689667888.db2.gz RJPHTXZSEWQQBT-ULQDDVLXSA-N 2 0 307.482 2.216 20 30 DEEDRP CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000876576860 689863620 /nfs/dbraw/zinc/86/36/20/689863620.db2.gz SECNVQMXQUXYGY-UHFFFAOYSA-N 2 0 300.450 2.398 20 30 DEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034538244 689890977 /nfs/dbraw/zinc/89/09/77/689890977.db2.gz KBZWERBIDWVKDA-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876776061 689934529 /nfs/dbraw/zinc/93/45/29/689934529.db2.gz DRYBXPBHDGMTQK-IMJJTQAJSA-N 2 0 321.852 2.236 20 30 DEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000876778981 689935179 /nfs/dbraw/zinc/93/51/79/689935179.db2.gz UBDMHHHTKFYENS-HOCLYGCPSA-N 2 0 323.868 2.483 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034735690 689936858 /nfs/dbraw/zinc/93/68/58/689936858.db2.gz MBLIJQPQWKFUJM-KKUMJFAQSA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034735692 689937242 /nfs/dbraw/zinc/93/72/42/689937242.db2.gz MBLIJQPQWKFUJM-RBSFLKMASA-N 2 0 313.873 2.240 20 30 DEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000877221489 690049317 /nfs/dbraw/zinc/04/93/17/690049317.db2.gz PUCNOKGUDUIUDJ-HZPDHXFCSA-N 2 0 321.852 2.155 20 30 DEEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736272 690452070 /nfs/dbraw/zinc/45/20/70/690452070.db2.gz XNJMRPISLXHTQG-IAGOWNOFSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759751 690461850 /nfs/dbraw/zinc/46/18/50/690461850.db2.gz QBUUGULORGKCKH-DLBZAZTESA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762300 690463378 /nfs/dbraw/zinc/46/33/78/690463378.db2.gz IDPRIXVVOLNQSK-NVXWUHKLSA-N 2 0 310.401 2.057 20 30 DEEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773321 690469794 /nfs/dbraw/zinc/46/97/94/690469794.db2.gz LEFTZPRAMGNXAK-QAPCUYQASA-N 2 0 324.428 2.447 20 30 DEEDRP C#CC[C@H]1CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878762012 690493839 /nfs/dbraw/zinc/49/38/39/690493839.db2.gz VRNFNWZVKZBONS-AZUAARDMSA-N 2 0 312.457 2.359 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC001037951571 690647595 /nfs/dbraw/zinc/64/75/95/690647595.db2.gz SFLPOCQDWJSDSZ-IRXDYDNUSA-N 2 0 307.482 2.121 20 30 DEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC ZINC001037951572 690647698 /nfs/dbraw/zinc/64/76/98/690647698.db2.gz SFLPOCQDWJSDSZ-SJORKVTESA-N 2 0 307.482 2.121 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038701029 690901391 /nfs/dbraw/zinc/90/13/91/690901391.db2.gz UTSIUASWDWTGPD-SFHVURJKSA-N 2 0 315.461 2.171 20 30 DEEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380416 691239166 /nfs/dbraw/zinc/23/91/66/691239166.db2.gz QVVVNNDOENQHAS-AEFFLSMTSA-N 2 0 307.482 2.073 20 30 DEEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040381465 691239809 /nfs/dbraw/zinc/23/98/09/691239809.db2.gz XHMXGFNDGYNCNT-IEBWSBKVSA-N 2 0 321.509 2.463 20 30 DEEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492404 691255497 /nfs/dbraw/zinc/25/54/97/691255497.db2.gz AGOKTNLFFDEOHE-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040846541 691292979 /nfs/dbraw/zinc/29/29/79/691292979.db2.gz FJUKAHCJISQNSE-UHFFFAOYSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040946917 691299662 /nfs/dbraw/zinc/29/96/62/691299662.db2.gz KBXSFFWQJWPGJV-KRWDZBQOSA-N 2 0 319.493 2.361 20 30 DEEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041275609 691354877 /nfs/dbraw/zinc/35/48/77/691354877.db2.gz GBJQCGNZBIJDBT-IEBWSBKVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440406 691375792 /nfs/dbraw/zinc/37/57/92/691375792.db2.gz MLBLUYUXGUCISA-GOSISDBHSA-N 2 0 317.477 2.115 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041588899 691398271 /nfs/dbraw/zinc/39/82/71/691398271.db2.gz ZVFYLEUYSBESJN-IEBWSBKVSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723558 691417578 /nfs/dbraw/zinc/41/75/78/691417578.db2.gz IVSFNQNVZCNQDC-IEBWSBKVSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757566 691425011 /nfs/dbraw/zinc/42/50/11/691425011.db2.gz YVXNMXFLUSNZPH-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757450 691425122 /nfs/dbraw/zinc/42/51/22/691425122.db2.gz WBPDCIWMBAVYGC-LJQANCHMSA-N 2 0 319.493 2.219 20 30 DEEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785583 691429948 /nfs/dbraw/zinc/42/99/48/691429948.db2.gz ITEDIYYUPAUIAU-PKOBYXMFSA-N 2 0 319.493 2.219 20 30 DEEDRP C#CCN(C)CCC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000883131214 691435950 /nfs/dbraw/zinc/43/59/50/691435950.db2.gz OZHPDUSWMPBUIH-UHFFFAOYSA-N 2 0 310.445 2.440 20 30 DEEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000883172304 691447784 /nfs/dbraw/zinc/44/77/84/691447784.db2.gz CWQOWXTXRYISFF-ROUUACIJSA-N 2 0 309.498 2.117 20 30 DEEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297556 691560455 /nfs/dbraw/zinc/56/04/55/691560455.db2.gz QMBFOCHVOCYZQS-WMZOPIPTSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001045619205 692006734 /nfs/dbraw/zinc/00/67/34/692006734.db2.gz CFFCFWAXMKXDML-JKSUJKDBSA-N 2 0 307.482 2.264 20 30 DEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001045619194 692006770 /nfs/dbraw/zinc/00/67/70/692006770.db2.gz CFFCFWAXMKXDML-CVEARBPZSA-N 2 0 307.482 2.264 20 30 DEEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045948170 692060578 /nfs/dbraw/zinc/06/05/78/692060578.db2.gz WUIWMRGPVLUWPL-IEBWSBKVSA-N 2 0 319.493 2.055 20 30 DEEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967513 692064531 /nfs/dbraw/zinc/06/45/31/692064531.db2.gz WNXIEECKCFQVDA-WMZOPIPTSA-N 2 0 307.482 2.217 20 30 DEEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046851812 692316425 /nfs/dbraw/zinc/31/64/25/692316425.db2.gz IZHIHHVEOYSHQB-GOSISDBHSA-N 2 0 301.434 2.128 20 30 DEEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049097708 692764296 /nfs/dbraw/zinc/76/42/96/692764296.db2.gz PMIBRDJUSRXPIZ-FGTMMUONSA-N 2 0 319.493 2.216 20 30 DEEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535234 692914782 /nfs/dbraw/zinc/91/47/82/692914782.db2.gz ZGXFRJNHUXBAJC-BBWFWOEESA-N 2 0 307.482 2.214 20 30 DEEDRP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545799 692917569 /nfs/dbraw/zinc/91/75/69/692917569.db2.gz MVEBFTRDMAIPNF-IRXDYDNUSA-N 2 0 317.477 2.114 20 30 DEEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049663286 692958578 /nfs/dbraw/zinc/95/85/78/692958578.db2.gz LUDMUOARTMAGIH-FGTMMUONSA-N 2 0 319.493 2.360 20 30 DEEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806912 693006827 /nfs/dbraw/zinc/00/68/27/693006827.db2.gz PPEDWVDDNCZUSN-ROUUACIJSA-N 2 0 319.493 2.360 20 30 DEEDRP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062230 693096808 /nfs/dbraw/zinc/09/68/08/693096808.db2.gz KPNYCALVAFDZHZ-OKZBNKHCSA-N 2 0 319.493 2.073 20 30 DEEDRP N#Cc1ccc(NCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1 ZINC000925892433 693360959 /nfs/dbraw/zinc/36/09/59/693360959.db2.gz ARXYYLFWTNEOSI-SJORKVTESA-N 2 0 313.449 2.123 20 30 DEEDRP C[C@@H](c1cccc(C[NH+](C)C)c1)[NH+]1CCN(CCC#N)CC1 ZINC000926808049 693514547 /nfs/dbraw/zinc/51/45/47/693514547.db2.gz PZTQCYJFSHXMTR-INIZCTEOSA-N 2 0 300.450 2.340 20 30 DEEDRP C#CCOc1ccc([C@@H](C)NC[C@H](C[NH+](C)C)OCC)cc1 ZINC000926962382 693536817 /nfs/dbraw/zinc/53/68/17/693536817.db2.gz LNFZEKCHVDUPQQ-CRAIPNDOSA-N 2 0 304.434 2.316 20 30 DEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052516816 693555038 /nfs/dbraw/zinc/55/50/38/693555038.db2.gz RPZWLBRUDLPTJC-IAGOWNOFSA-N 2 0 307.482 2.264 20 30 DEEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052528653 693559294 /nfs/dbraw/zinc/55/92/94/693559294.db2.gz NQQQKMKDQQWZLR-INIZCTEOSA-N 2 0 312.417 2.495 20 30 DEEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052713507 693602433 /nfs/dbraw/zinc/60/24/33/693602433.db2.gz YOJKSHDRJDBAFN-HUUCEWRRSA-N 2 0 313.873 2.194 20 30 DEEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767882 693616430 /nfs/dbraw/zinc/61/64/30/693616430.db2.gz ZKBNUAGZHANDKI-KRWDZBQOSA-N 2 0 307.482 2.265 20 30 DEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052956281 693656723 /nfs/dbraw/zinc/65/67/23/693656723.db2.gz RGUUWOSDMNFVEX-IAGOWNOFSA-N 2 0 307.482 2.408 20 30 DEEDRP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051547 693677555 /nfs/dbraw/zinc/67/75/55/693677555.db2.gz NSCBEHIPDRWFMO-QZTJIDSGSA-N 2 0 319.493 2.219 20 30 DEEDRP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108479 693690853 /nfs/dbraw/zinc/69/08/53/693690853.db2.gz UTBCFHIVOZVPHR-ZWKOTPCHSA-N 2 0 319.493 2.361 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001402416061 1162348999 /nfs/dbraw/zinc/34/89/99/1162348999.db2.gz JHGUJDDOJLPVSQ-DZGCQCFKSA-N 2 0 315.889 2.155 20 30 DEEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])CC1 ZINC001336005317 1150587607 /nfs/dbraw/zinc/58/76/07/1150587607.db2.gz YRJPYGWZFZWNAN-WBVHZDCISA-N 2 0 322.497 2.186 20 30 DEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001343429496 1150741581 /nfs/dbraw/zinc/74/15/81/1150741581.db2.gz AVMISQZOAFKBRS-WBVHZDCISA-N 2 0 303.450 2.307 20 30 DEEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001357845449 1152343473 /nfs/dbraw/zinc/34/34/73/1152343473.db2.gz DPETZVNADCPHKD-BRWVUGGUSA-N 2 0 319.424 2.071 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378520295 1152359388 /nfs/dbraw/zinc/35/93/88/1152359388.db2.gz WBNDUMDTJVLZKP-OAHLLOKOSA-N 2 0 313.873 2.196 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001382020040 1153320947 /nfs/dbraw/zinc/32/09/47/1153320947.db2.gz QXUARNGBLDGYAH-OAHLLOKOSA-N 2 0 313.873 2.050 20 30 DEEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001376624863 1159612112 /nfs/dbraw/zinc/61/21/12/1159612112.db2.gz LSHFJEIOHBLFIB-UHFFFAOYSA-N 2 0 313.873 2.005 20 30 DEEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001377973102 1160887942 /nfs/dbraw/zinc/88/79/42/1160887942.db2.gz SHXFPSJKFFIHRD-CYBMUJFWSA-N 2 0 303.878 2.153 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001401230878 1161899363 /nfs/dbraw/zinc/89/93/63/1161899363.db2.gz ZFUMUAXJLJZVQN-CABCVRRESA-N 2 0 315.889 2.296 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001401239681 1161901886 /nfs/dbraw/zinc/90/18/86/1161901886.db2.gz NNNTXSMHWZNMBK-LSDHHAIUSA-N 2 0 315.889 2.297 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401279407 1161913775 /nfs/dbraw/zinc/91/37/75/1161913775.db2.gz DLEUVSZQJOZSAH-CABCVRRESA-N 2 0 315.889 2.344 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001402064271 1162234011 /nfs/dbraw/zinc/23/40/11/1162234011.db2.gz ZGPGNYPXLQZBJY-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]21 ZINC001406186454 1164498633 /nfs/dbraw/zinc/49/86/33/1164498633.db2.gz OKWVTQJVNULJKH-GJZGRUSLSA-N 2 0 313.873 2.002 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422999877 1173006802 /nfs/dbraw/zinc/00/68/02/1173006802.db2.gz XQRNPGYHGDYACP-HUUCEWRRSA-N 2 0 315.889 2.152 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001423017145 1173018280 /nfs/dbraw/zinc/01/82/80/1173018280.db2.gz WOJPSFOYJRZNRO-HUUCEWRRSA-N 2 0 313.873 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001437333684 1179730985 /nfs/dbraw/zinc/73/09/85/1179730985.db2.gz QBVIWGJXBUFXQQ-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001437383301 1179775915 /nfs/dbraw/zinc/77/59/15/1179775915.db2.gz YHKXTNXSEVXZKT-ZIAGYGMSSA-N 2 0 301.862 2.098 20 30 DEEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001438004798 1180154348 /nfs/dbraw/zinc/15/43/48/1180154348.db2.gz KBQSSHBSUKDWBM-UHFFFAOYSA-N 2 0 315.889 2.250 20 30 DEEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001438699136 1180772804 /nfs/dbraw/zinc/77/28/04/1180772804.db2.gz YDEULYXWMYXCHV-HUUCEWRRSA-N 2 0 315.889 2.438 20 30 DEEDRP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001441034034 1181831891 /nfs/dbraw/zinc/83/18/91/1181831891.db2.gz KBCUHHBLNZLRJY-ZIAGYGMSSA-N 2 0 301.862 2.050 20 30 DEEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001449031119 1185499049 /nfs/dbraw/zinc/49/90/49/1185499049.db2.gz YCNIPLYTILIFAB-GJZGRUSLSA-N 2 0 313.873 2.194 20 30 DEEDRP